BIOGRF 200 DESCRP Ag2 RUTYPE NORMAL RUN FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 1.29216 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 -1.29216 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 ORDER 1 1 CONECT 2 1 ORDER 2 1 UNIT ENERGY kcalmol ENERGY -182915.693341 END BIOGRF 200 DESCRP Ag3 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 1.44866 0 1 0 0.00000 HETATM 2 Ag 0.00000 1.52952 -0.72433 0 1 0 0.00000 HETATM 3 Ag 0.00000 -1.52952 -0.72433 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 3 ORDER 1 1 1 CONECT 2 3 1 ORDER 2 1 1 CONECT 3 2 1 ORDER 3 1 1 UNIT ENERGY kcalmol ENERGY -138364.61 END BIOGRF 200 DESCRP Ag4 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.16061 2.13923 0.00000 0 1 0 0.00000 HETATM 2 Ag -1.16061 -2.13923 0.00000 0 1 0 0.00000 HETATM 3 Ag 1.16061 -0.62969 0.00000 0 1 0 0.00000 HETATM 4 Ag -1.16061 0.62969 0.00000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 3 4 ORDER 1 1 1 CONECT 2 3 4 ORDER 2 1 1 CONECT 3 1 2 4 ORDER 3 1 1 1 CONECT 4 1 2 3 ORDER 4 1 1 1 UNIT ENERGY kcalmol ENERGY -184497.57 END BIOGRF 200 DESCRP Ag5 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.98203 0 1 0 0.00000 HETATM 2 Ag 0.00000 1.39231 -1.44272 0 1 0 0.00000 HETATM 3 Ag -0.00000 -1.39231 -1.44272 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.72086 0.95171 0 1 0 0.00000 HETATM 5 Ag 0.00000 -2.72086 0.95171 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 3 4 5 ORDER 1 1 1 1 1 CONECT 2 3 4 1 ORDER 2 1 1 1 CONECT 3 2 5 1 ORDER 3 1 1 1 CONECT 4 2 1 ORDER 4 1 1 CONECT 5 3 1 ORDER 5 1 1 UNIT ENERGY kcalmol ENERGY -230627.21 END BIOGRF 200 DESCRP Ag6 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 -3.13938 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 1.63181 0.00000 0 1 0 0.00000 HETATM 3 Ag 1.41323 -0.81593 0.00000 0 1 0 0.00000 HETATM 4 Ag 2.71873 1.56972 0.00000 0 1 0 0.00000 HETATM 5 Ag -2.71873 1.56972 0.00000 0 1 0 0.00000 HETATM 6 Ag -1.41323 -0.81593 0.00000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 3 6 ORDER 1 1 1 CONECT 2 3 4 5 6 ORDER 2 1 1 1 1 CONECT 3 1 2 4 6 ORDER 3 1 1 1 1 CONECT 4 2 3 ORDER 4 1 1 CONECT 5 2 6 ORDER 5 1 1 CONECT 6 1 2 3 5 ORDER 6 1 1 1 1 UNIT ENERGY kcalmol ENERGY -276764.10 END BIOGRF 200 DESCRP Ag7 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -0.00012 0.74118 2.28128 0 1 0 0.00000 HETATM 2 Ag -0.00049 2.39866 0.00000 0 1 0 0.00000 HETATM 3 Ag -0.00012 0.74118 -2.28128 0 1 0 0.00000 HETATM 4 Ag 1.50952 0.00033 0.00000 0 1 0 0.00000 HETATM 5 Ag -1.50952 -0.00027 0.00000 0 1 0 0.00000 HETATM 6 Ag 0.00036 -1.94055 -1.40988 0 1 0 0.00000 HETATM 7 Ag 0.00036 -1.94055 1.40988 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 4 5 7 ORDER 1 1 1 1 1 CONECT 2 3 4 5 1 ORDER 2 1 1 1 1 CONECT 3 6 2 4 5 ORDER 3 1 1 1 1 CONECT 4 3 6 2 5 7 1 ORDER 4 1 1 1 1 1 1 CONECT 5 3 6 2 4 7 1 ORDER 5 1 1 1 1 1 1 CONECT 6 3 4 5 7 ORDER 6 1 1 1 1 CONECT 7 6 4 5 1 ORDER 7 1 1 1 1 UNIT ENERGY kcalmol ENERGY -322888.72 END BIOGRF 200 DESCRP Ag8 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.90421 -1.39539 -0.59633 0 1 0 0.00000 HETATM 2 Ag 1.94915 0.86612 -1.87545 0 1 0 0.00000 HETATM 3 Ag 1.28856 -1.29332 2.17568 0 1 0 0.00000 HETATM 4 Ag -1.78385 -1.81637 -1.25907 0 1 0 0.00000 HETATM 5 Ag -1.21227 -0.53863 1.16644 0 1 0 0.00000 HETATM 6 Ag -1.45386 2.24359 0.95880 0 1 0 0.00000 HETATM 7 Ag 1.10947 1.12968 0.78308 0 1 0 0.00000 HETATM 8 Ag -0.80142 0.80433 -1.35315 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 8 4 7 5 3 ORDER 1 1 1 1 1 1 1 CONECT 2 8 1 7 ORDER 2 1 1 1 CONECT 3 1 7 5 ORDER 3 1 1 1 CONECT 4 8 1 5 ORDER 4 1 1 1 CONECT 5 8 4 1 7 6 3 ORDER 5 1 1 1 1 1 1 CONECT 6 8 7 5 ORDER 6 1 1 1 CONECT 7 2 8 1 6 5 3 ORDER 7 1 1 1 1 1 1 CONECT 8 2 4 1 7 6 5 ORDER 8 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -369024.83 END BIOGRF 200 DESCRP Ag9 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.95093 1.99930 -0.00016 0 1 0 0.00000 HETATM 2 Ag 0.97933 0.09097 -1.86112 0 1 0 0.00000 HETATM 3 Ag -0.74996 1.46272 -0.00014 0 1 0 0.00000 HETATM 4 Ag 2.99585 -0.67321 0.00008 0 1 0 0.00000 HETATM 5 Ag 0.97930 0.09130 1.86112 0 1 0 0.00000 HETATM 6 Ag -1.60042 -0.82607 1.47326 0 1 0 0.00000 HETATM 7 Ag 0.50970 -2.01931 0.00018 0 1 0 0.00000 HETATM 8 Ag -1.60040 -0.82634 -1.47313 0 1 0 0.00000 HETATM 9 Ag -3.46436 0.70064 -0.00009 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 3 4 5 ORDER 1 1 1 1 1 CONECT 2 8 3 4 1 7 ORDER 2 1 1 1 1 1 CONECT 3 2 8 9 1 6 5 ORDER 3 1 1 1 1 1 1 CONECT 4 2 1 7 5 ORDER 4 1 1 1 1 CONECT 5 3 4 1 7 6 ORDER 5 1 1 1 1 1 CONECT 6 8 3 9 7 5 ORDER 6 1 1 1 1 1 CONECT 7 2 8 4 6 5 ORDER 7 1 1 1 1 1 CONECT 8 2 3 9 7 6 ORDER 8 1 1 1 1 1 CONECT 9 8 3 6 ORDER 9 1 1 1 UNIT ENERGY kcalmol ENERGY -415149.01 END BIOGRF 200 DESCRP Ag10 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 2.00929 0.08138 -0.47952 0 1 0 0.00000 HETATM 2 Ag 0.25209 -1.88275 0.85295 0 1 0 0.00000 HETATM 3 Ag 0.05320 2.06482 -0.08654 0 1 0 0.00000 HETATM 4 Ag 0.97455 0.53884 2.13117 0 1 0 0.00000 HETATM 5 Ag -1.67177 0.06802 1.23949 0 1 0 0.00000 HETATM 6 Ag -2.49167 1.65319 -0.98223 0 1 0 0.00000 HETATM 7 Ag 2.69415 2.53395 0.62114 0 1 0 0.00000 HETATM 8 Ag -0.77083 -0.47703 -1.42916 0 1 0 0.00000 HETATM 9 Ag 1.34742 -2.23959 -1.75359 0 1 0 0.00000 HETATM 10 Ag -2.39643 -2.34086 -0.11370 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 7 9 2 3 4 ORDER 1 1 1 1 1 1 CONECT 2 8 9 10 1 5 4 ORDER 2 1 1 1 1 1 1 CONECT 3 8 7 6 1 5 4 ORDER 3 1 1 1 1 1 1 CONECT 4 1 2 3 5 ORDER 4 1 1 1 1 CONECT 5 8 10 6 2 3 4 ORDER 5 1 1 1 1 1 1 CONECT 6 8 3 5 ORDER 6 1 1 1 CONECT 7 1 3 ORDER 7 1 1 CONECT 8 10 6 2 3 5 ORDER 8 1 1 1 1 1 CONECT 9 1 2 ORDER 9 1 1 CONECT 10 8 2 5 ORDER 10 1 1 1 UNIT ENERGY kcalmol ENERGY -461279.46 END BIOGRF 200 DESCRP Ag11 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00002 -2.59088 -0.01454 0 1 0 0.00000 HETATM 2 Ag 1.41194 -0.61689 -1.44589 0 1 0 0.00000 HETATM 3 Ag 3.81660 -0.88123 -0.00497 0 1 0 0.00000 HETATM 4 Ag 1.41193 -0.63309 1.43890 0 1 0 0.00000 HETATM 5 Ag -1.41192 -0.63312 1.43890 0 1 0 0.00000 HETATM 6 Ag -0.00001 1.82553 1.41662 0 1 0 0.00000 HETATM 7 Ag 2.50461 1.59332 0.00898 0 1 0 0.00000 HETATM 8 Ag -0.00001 1.84130 -1.39610 0 1 0 0.00000 HETATM 9 Ag -1.41193 -0.61691 -1.44589 0 1 0 0.00000 HETATM 10 Ag -2.50464 1.59328 0.00898 0 1 0 0.00000 HETATM 11 Ag -3.81659 -0.88129 -0.00497 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 9 5 4 ORDER 1 1 1 1 1 CONECT 2 9 8 1 3 7 4 ORDER 2 1 1 1 1 1 1 CONECT 3 2 7 4 ORDER 3 1 1 1 CONECT 4 2 1 3 7 6 5 ORDER 4 1 1 1 1 1 1 CONECT 5 9 1 11 10 6 4 ORDER 5 1 1 1 1 1 1 CONECT 6 8 10 7 5 4 ORDER 6 1 1 1 1 1 CONECT 7 2 8 3 6 4 ORDER 7 1 1 1 1 1 CONECT 8 2 9 10 7 6 ORDER 8 1 1 1 1 1 CONECT 9 2 8 1 11 10 5 ORDER 9 1 1 1 1 1 1 CONECT 10 9 8 11 6 5 ORDER 10 1 1 1 1 1 CONECT 11 9 10 5 ORDER 11 1 1 1 UNIT ENERGY kcalmol ENERGY -507411.49 END BIOGRF 200 DESCRP Ag12 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 2.92564 -1.75786 -0.00809 0 1 0 0.00000 HETATM 2 Ag -2.07921 -2.11633 0.01253 0 1 0 0.00000 HETATM 3 Ag 0.42686 -2.06154 1.42020 0 1 0 0.00000 HETATM 4 Ag -3.84070 0.00458 0.01519 0 1 0 0.00000 HETATM 5 Ag 1.73214 0.34649 1.45756 0 1 0 0.00000 HETATM 6 Ag 0.41555 -2.06723 -1.41528 0 1 0 0.00000 HETATM 7 Ag 1.72045 0.34060 -1.47261 0 1 0 0.00000 HETATM 8 Ag -1.20104 0.24697 1.41365 0 1 0 0.00000 HETATM 9 Ag 3.23639 2.13588 -0.01714 0 1 0 0.00000 HETATM 10 Ag 0.34027 2.30109 -0.00594 0 1 0 0.00000 HETATM 11 Ag -2.46409 2.38600 0.00502 0 1 0 0.00000 HETATM 12 Ag -1.21228 0.24133 -1.40508 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 7 6 3 5 ORDER 1 1 1 1 1 CONECT 2 6 12 4 8 3 ORDER 2 1 1 1 1 1 CONECT 3 6 1 2 8 5 ORDER 3 1 1 1 1 1 CONECT 4 11 2 ORDER 4 1 1 CONECT 5 7 9 1 10 8 3 ORDER 5 1 1 1 1 1 1 CONECT 6 7 12 1 2 3 ORDER 6 1 1 1 1 1 CONECT 7 6 12 9 1 10 5 ORDER 7 1 1 1 1 1 1 CONECT 8 12 11 10 2 3 5 ORDER 8 1 1 1 1 1 1 CONECT 9 7 10 5 ORDER 9 1 1 1 CONECT 10 7 12 9 11 8 5 ORDER 10 1 1 1 1 1 1 CONECT 11 12 4 10 8 ORDER 11 1 1 1 1 CONECT 12 7 6 11 10 2 8 ORDER 12 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -553544.77 END BIOGRF 200 DESCRP Ag13 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -1.15352 0.24377 1.07583 0 1 0 0.00000 HETATM 2 Ag -2.90062 2.26469 0.26050 0 1 0 0.00000 HETATM 3 Ag -2.03439 -2.44591 1.23275 0 1 0 0.00000 HETATM 4 Ag -1.49332 0.91388 -1.77462 0 1 0 0.00000 HETATM 5 Ag -3.45560 -0.54630 -0.33856 0 1 0 0.00000 HETATM 6 Ag -0.00000 2.64342 -0.00000 0 1 0 0.00000 HETATM 7 Ag 1.15352 0.24377 -1.07583 0 1 0 0.00000 HETATM 8 Ag 0.83660 -1.75185 1.18619 0 1 0 0.00000 HETATM 9 Ag -0.83659 -1.75186 -1.18619 0 1 0 0.00000 HETATM 10 Ag 3.45560 -0.54629 0.33856 0 1 0 0.00000 HETATM 11 Ag 1.49332 0.91389 1.77461 0 1 0 0.00000 HETATM 12 Ag 2.03440 -2.44591 -1.23275 0 1 0 0.00000 HETATM 13 Ag 2.90062 2.26470 -0.26051 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 5 6 2 3 8 11 ORDER 1 1 1 1 1 1 1 CONECT 2 4 5 6 1 ORDER 2 1 1 1 1 CONECT 3 9 5 1 8 ORDER 3 1 1 1 1 CONECT 4 9 7 5 6 2 ORDER 4 1 1 1 1 1 CONECT 5 4 9 2 3 1 ORDER 5 1 1 1 1 1 CONECT 6 4 7 13 2 1 11 ORDER 6 1 1 1 1 1 1 CONECT 7 4 9 12 13 6 10 ORDER 7 1 1 1 1 1 1 CONECT 8 9 12 10 3 1 11 ORDER 8 1 1 1 1 1 1 CONECT 9 4 7 12 5 3 8 ORDER 9 1 1 1 1 1 1 CONECT 10 7 12 13 8 11 ORDER 10 1 1 1 1 1 CONECT 11 13 6 10 1 8 ORDER 11 1 1 1 1 1 CONECT 12 9 7 10 8 ORDER 12 1 1 1 1 CONECT 13 7 6 10 11 ORDER 13 1 1 1 1 UNIT ENERGY kcalmol ENERGY -599674.60 END BIOGRF 200 DESCRP Ag14 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.35829 0.00024 0.00210 0 1 0 0.00000 HETATM 2 Ag -2.01673 -0.13493 1.72902 0 1 0 0.00000 HETATM 3 Ag -2.00303 1.57352 -0.76616 0 1 0 0.00000 HETATM 4 Ag -2.00016 -1.44171 -0.99807 0 1 0 0.00000 HETATM 5 Ag -4.18824 -0.00219 -0.02447 0 1 0 0.00000 HETATM 6 Ag 0.32813 -1.23717 -2.57599 0 1 0 0.00000 HETATM 7 Ag 0.31392 -2.85100 -0.21626 0 1 0 0.00000 HETATM 8 Ag 2.65602 -1.53413 0.75126 0 1 0 0.00000 HETATM 9 Ag 2.65329 1.40630 0.97742 0 1 0 0.00000 HETATM 10 Ag 2.66943 0.13194 -1.68206 0 1 0 0.00000 HETATM 11 Ag 0.32421 1.61466 -2.35830 0 1 0 0.00000 HETATM 12 Ag 0.29946 -1.61375 2.36231 0 1 0 0.00000 HETATM 13 Ag 0.30978 2.85142 0.21918 0 1 0 0.00000 HETATM 14 Ag 0.29561 1.23681 2.58001 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 6 11 7 9 12 14 ORDER 1 1 1 1 1 1 1 CONECT 2 4 3 5 12 14 ORDER 2 1 1 1 1 1 CONECT 3 11 4 5 13 2 ORDER 3 1 1 1 1 1 CONECT 4 6 3 7 5 2 ORDER 4 1 1 1 1 1 CONECT 5 4 3 2 ORDER 5 1 1 1 CONECT 6 11 10 4 7 1 ORDER 6 1 1 1 1 1 CONECT 7 6 4 1 8 12 ORDER 7 1 1 1 1 1 CONECT 8 10 7 9 12 ORDER 8 1 1 1 1 CONECT 9 10 1 13 8 14 ORDER 9 1 1 1 1 1 CONECT 10 6 11 8 9 ORDER 10 1 1 1 1 CONECT 11 6 10 3 1 13 ORDER 11 1 1 1 1 1 CONECT 12 7 1 8 2 14 ORDER 12 1 1 1 1 1 CONECT 13 11 3 9 14 ORDER 13 1 1 1 1 CONECT 14 1 13 9 2 12 ORDER 14 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -645800.03 END BIOGRF 200 DESCRP Ag15 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -1.32061 -2.14124 0.02728 0 1 0 0.00000 HETATM 2 Ag 0.69321 1.45141 -2.30272 0 1 0 0.00000 HETATM 3 Ag -1.84300 0.20343 1.65488 0 1 0 0.00000 HETATM 4 Ag -0.86986 2.36061 -0.02407 0 1 0 0.00000 HETATM 5 Ag -3.84387 -1.02701 0.02127 0 1 0 0.00000 HETATM 6 Ag -3.56394 1.76886 -0.01059 0 1 0 0.00000 HETATM 7 Ag -1.85145 0.16657 -1.64951 0 1 0 0.00000 HETATM 8 Ag 2.51366 1.98077 -0.02855 0 1 0 0.00000 HETATM 9 Ag 0.62809 -0.06289 -0.00091 0 1 0 0.00000 HETATM 10 Ag 2.07099 -2.43992 0.02189 0 1 0 0.00000 HETATM 11 Ag 0.38646 -1.61161 -2.26778 0 1 0 0.00000 HETATM 12 Ag 0.70495 1.50232 2.26620 0 1 0 0.00000 HETATM 13 Ag 2.94429 -0.31389 -1.67098 0 1 0 0.00000 HETATM 14 Ag 0.39822 -1.56070 2.30116 0 1 0 0.00000 HETATM 15 Ag 2.95285 -0.27671 1.66243 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 11 7 5 3 14 ORDER 1 1 1 1 1 1 CONECT 2 11 13 8 9 ORDER 2 1 1 1 1 CONECT 3 4 6 5 1 14 ORDER 3 1 1 1 1 1 CONECT 4 7 8 6 3 12 ORDER 4 1 1 1 1 1 CONECT 5 7 6 1 3 ORDER 5 1 1 1 1 CONECT 6 7 4 5 3 ORDER 6 1 1 1 1 CONECT 7 11 4 6 5 1 ORDER 7 1 1 1 1 1 CONECT 8 2 13 4 9 15 12 ORDER 8 1 1 1 1 1 1 CONECT 9 2 11 8 10 12 14 ORDER 9 1 1 1 1 1 1 CONECT 10 11 13 9 15 14 ORDER 10 1 1 1 1 1 CONECT 11 2 7 13 9 10 1 ORDER 11 1 1 1 1 1 1 CONECT 12 8 4 9 15 14 ORDER 12 1 1 1 1 1 CONECT 13 2 11 8 10 15 ORDER 13 1 1 1 1 1 CONECT 14 9 10 1 15 3 12 ORDER 14 1 1 1 1 1 1 CONECT 15 13 8 10 12 14 ORDER 15 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -691929.86 END BIOGRF 200 DESCRP Ag16 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -2.79124 1.78973 0.56341 0 1 0 0.00000 HETATM 2 Ag -2.02315 -0.21636 -1.39564 0 1 0 0.00000 HETATM 3 Ag -1.23347 0.46537 2.45404 0 1 0 0.00000 HETATM 4 Ag -0.55183 -2.00795 1.24842 0 1 0 0.00000 HETATM 5 Ag 1.41190 -0.52792 2.71788 0 1 0 0.00000 HETATM 6 Ag -3.23842 -0.96219 1.01837 0 1 0 0.00000 HETATM 7 Ag -2.21658 -2.99847 -0.72831 0 1 0 0.00000 HETATM 8 Ag 3.32834 0.61833 0.88540 0 1 0 0.00000 HETATM 9 Ag 2.36895 -2.02049 0.54177 0 1 0 0.00000 HETATM 10 Ag 1.95336 2.38124 -0.99300 0 1 0 0.00000 HETATM 11 Ag -0.99402 2.37927 -1.46897 0 1 0 0.00000 HETATM 12 Ag 0.42687 -2.16260 -1.48762 0 1 0 0.00000 HETATM 13 Ag 2.76591 -0.39582 -1.71697 0 1 0 0.00000 HETATM 14 Ag 0.39200 0.44572 -2.85336 0 1 0 0.00000 HETATM 15 Ag 0.55933 0.31513 0.09068 0 1 0 0.00000 HETATM 16 Ag -0.15795 2.89703 1.12390 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 11 6 16 3 ORDER 1 1 1 1 1 1 CONECT 2 14 11 7 1 6 ORDER 2 1 1 1 1 1 CONECT 3 15 1 6 16 4 5 ORDER 3 1 1 1 1 1 1 CONECT 4 12 7 15 6 3 5 ORDER 4 1 1 1 1 1 1 CONECT 5 15 9 8 4 3 ORDER 5 1 1 1 1 1 CONECT 6 2 7 1 4 3 ORDER 6 1 1 1 1 1 CONECT 7 2 12 6 4 ORDER 7 1 1 1 1 CONECT 8 13 10 15 9 5 ORDER 8 1 1 1 1 1 CONECT 9 13 12 8 5 ORDER 9 1 1 1 1 CONECT 10 13 11 15 8 16 ORDER 10 1 1 1 1 1 CONECT 11 14 2 10 1 16 ORDER 11 1 1 1 1 1 CONECT 12 14 13 7 9 4 ORDER 12 1 1 1 1 1 CONECT 13 14 12 10 15 9 8 ORDER 13 1 1 1 1 1 1 CONECT 14 13 2 11 12 ORDER 14 1 1 1 1 CONECT 15 13 10 8 4 3 5 ORDER 15 1 1 1 1 1 1 CONECT 16 11 10 1 3 ORDER 16 1 1 1 1 UNIT ENERGY kcalmol ENERGY -738068.48 END BIOGRF 200 DESCRP Ag17 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -0.30939 -0.47447 -2.90769 0 1 0 0.00000 HETATM 2 Ag -0.00438 0.36843 0.00073 0 1 0 0.00000 HETATM 3 Ag 1.88760 -2.30817 1.49725 0 1 0 0.00000 HETATM 4 Ag 0.32006 -0.47933 2.90561 0 1 0 0.00000 HETATM 5 Ag 2.51502 0.58725 1.18869 0 1 0 0.00000 HETATM 6 Ag -2.13700 0.57464 1.81846 0 1 0 0.00000 HETATM 7 Ag -0.91537 -2.25004 1.13258 0 1 0 0.00000 HETATM 8 Ag -3.56483 -1.48079 0.54476 0 1 0 0.00000 HETATM 9 Ag 2.12333 0.62975 -1.81583 0 1 0 0.00000 HETATM 10 Ag 0.25505 2.21942 2.26675 0 1 0 0.00000 HETATM 11 Ag 1.44268 2.92745 -0.17420 0 1 0 0.00000 HETATM 12 Ag 0.96596 -2.22389 -1.14171 0 1 0 0.00000 HETATM 13 Ag 3.59754 -1.39803 -0.55053 0 1 0 0.00000 HETATM 14 Ag -1.83505 -2.34380 -1.50667 0 1 0 0.00000 HETATM 15 Ag -1.50820 2.89364 0.18607 0 1 0 0.00000 HETATM 16 Ag -0.30510 2.22236 -2.25769 0 1 0 0.00000 HETATM 17 Ag -2.52793 0.53558 -1.18656 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 16 9 14 12 17 ORDER 1 1 1 1 1 1 CONECT 2 16 9 17 5 6 10 ORDER 2 1 1 1 1 1 1 CONECT 3 12 13 7 4 ORDER 3 1 1 1 1 CONECT 4 5 7 3 6 10 ORDER 4 1 1 1 1 1 CONECT 5 9 13 11 2 10 4 ORDER 5 1 1 1 1 1 1 CONECT 6 17 2 15 8 10 4 ORDER 6 1 1 1 1 1 1 CONECT 7 14 12 8 3 4 ORDER 7 1 1 1 1 1 CONECT 8 14 17 7 6 ORDER 8 1 1 1 1 CONECT 9 1 16 13 11 2 5 ORDER 9 1 1 1 1 1 1 CONECT 10 11 2 15 5 6 4 ORDER 10 1 1 1 1 1 1 CONECT 11 16 9 15 5 10 ORDER 11 1 1 1 1 1 CONECT 12 1 14 13 7 3 ORDER 12 1 1 1 1 1 CONECT 13 9 12 5 3 ORDER 13 1 1 1 1 CONECT 14 1 12 8 7 ORDER 14 1 1 1 1 CONECT 15 16 17 11 6 10 ORDER 15 1 1 1 1 1 CONECT 16 1 9 17 11 2 15 ORDER 16 1 1 1 1 1 1 CONECT 17 1 16 2 15 8 6 ORDER 17 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -784201.76 END BIOGRF 200 DESCRP Ag18 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -0.00001 3.24431 -1.21948 0 1 0 0.00000 HETATM 2 Ag -0.00000 0.68286 0.04651 0 1 0 0.00000 HETATM 3 Ag 2.37197 0.07572 1.50995 0 1 0 0.00000 HETATM 4 Ag -1.48265 2.82474 1.23103 0 1 0 0.00000 HETATM 5 Ag -0.00000 0.97670 2.82994 0 1 0 0.00000 HETATM 6 Ag 2.37736 1.48045 -1.24642 0 1 0 0.00000 HETATM 7 Ag -0.00000 0.86963 -2.77550 0 1 0 0.00000 HETATM 8 Ag 1.48263 2.82475 1.23103 0 1 0 0.00000 HETATM 9 Ag 3.98238 -0.77809 -0.74898 0 1 0 0.00000 HETATM 10 Ag -1.41935 -1.30631 -1.63963 0 1 0 0.00000 HETATM 11 Ag -2.37197 0.07570 1.50995 0 1 0 0.00000 HETATM 12 Ag 1.41936 -1.30630 -1.63963 0 1 0 0.00000 HETATM 13 Ag -2.37737 1.48043 -1.24642 0 1 0 0.00000 HETATM 14 Ag -3.98237 -0.77811 -0.74898 0 1 0 0.00000 HETATM 15 Ag 0.00001 -3.44525 -0.45778 0 1 0 0.00000 HETATM 16 Ag 0.00000 -1.66819 1.83900 0 1 0 0.00000 HETATM 17 Ag -2.42958 -2.62653 0.76272 0 1 0 0.00000 HETATM 18 Ag 2.42960 -2.62651 0.76272 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 7 6 13 2 8 4 ORDER 1 1 1 1 1 1 1 CONECT 2 6 13 1 8 4 5 ORDER 2 1 1 1 1 1 1 CONECT 3 9 18 8 16 5 ORDER 3 1 1 1 1 1 CONECT 4 13 1 2 8 11 5 ORDER 4 1 1 1 1 1 1 CONECT 5 2 8 4 11 3 16 ORDER 5 1 1 1 1 1 1 CONECT 6 7 12 1 9 2 8 ORDER 6 1 1 1 1 1 1 CONECT 7 12 10 6 13 1 ORDER 7 1 1 1 1 1 CONECT 8 6 1 2 4 3 5 ORDER 8 1 1 1 1 1 1 CONECT 9 12 6 18 3 ORDER 9 1 1 1 1 CONECT 10 7 12 13 14 15 17 ORDER 10 1 1 1 1 1 1 CONECT 11 14 17 4 16 5 ORDER 11 1 1 1 1 1 CONECT 12 7 10 6 9 15 18 ORDER 12 1 1 1 1 1 1 CONECT 13 7 10 1 14 2 4 ORDER 13 1 1 1 1 1 1 CONECT 14 10 13 17 11 ORDER 14 1 1 1 1 CONECT 15 12 10 17 18 16 ORDER 15 1 1 1 1 1 CONECT 16 15 17 18 11 3 5 ORDER 16 1 1 1 1 1 1 CONECT 17 10 14 15 11 16 ORDER 17 1 1 1 1 1 CONECT 18 12 9 15 3 16 ORDER 18 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -830340.68 END BIOGRF 200 DESCRP Ag19 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -4.06648 -0.14999 -1.44089 0 1 0 0.00000 HETATM 2 Ag -0.00000 0.92969 2.43441 0 1 0 0.00000 HETATM 3 Ag 0.00000 -0.84733 0.21397 0 1 0 0.00000 HETATM 4 Ag -2.41295 0.51646 0.82402 0 1 0 0.00000 HETATM 5 Ag 0.00000 -2.56815 -1.98906 0 1 0 0.00000 HETATM 6 Ag -1.43305 -1.62442 2.49769 0 1 0 0.00000 HETATM 7 Ag 2.40869 -2.17074 -0.28337 0 1 0 0.00000 HETATM 8 Ag -2.40869 -2.17074 -0.28337 0 1 0 0.00000 HETATM 9 Ag 0.00000 -3.55458 0.83383 0 1 0 0.00000 HETATM 10 Ag 1.43305 -1.62442 2.49769 0 1 0 0.00000 HETATM 11 Ag 1.40968 -0.04301 -2.17072 0 1 0 0.00000 HETATM 12 Ag 2.41295 0.51646 0.82402 0 1 0 0.00000 HETATM 13 Ag 0.00000 1.91554 -0.63699 0 1 0 0.00000 HETATM 14 Ag 2.69604 2.39434 -1.24707 0 1 0 0.00000 HETATM 15 Ag -1.40967 -0.04301 -2.17072 0 1 0 0.00000 HETATM 16 Ag 1.47729 3.13979 1.39227 0 1 0 0.00000 HETATM 17 Ag -1.47729 3.13979 1.39226 0 1 0 0.00000 HETATM 18 Ag -2.69604 2.39434 -1.24707 0 1 0 0.00000 HETATM 19 Ag 4.06648 -0.14998 -1.44089 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 15 18 8 4 ORDER 1 1 1 1 1 CONECT 2 12 16 17 10 6 ORDER 2 1 1 1 1 1 CONECT 3 5 8 7 9 10 6 ORDER 3 1 1 1 1 1 1 CONECT 4 1 18 8 17 6 ORDER 4 1 1 1 1 1 CONECT 5 11 15 8 7 3 9 ORDER 5 1 1 1 1 1 1 CONECT 6 8 3 9 4 2 10 ORDER 6 1 1 1 1 1 1 CONECT 7 5 19 3 9 12 10 ORDER 7 1 1 1 1 1 1 CONECT 8 5 1 3 9 4 6 ORDER 8 1 1 1 1 1 1 CONECT 9 5 8 7 3 10 6 ORDER 9 1 1 1 1 1 1 CONECT 10 7 3 9 12 2 6 ORDER 10 1 1 1 1 1 1 CONECT 11 15 5 19 14 13 ORDER 11 1 1 1 1 1 CONECT 12 19 14 7 16 2 10 ORDER 12 1 1 1 1 1 1 CONECT 13 11 15 14 18 16 17 ORDER 13 1 1 1 1 1 1 CONECT 14 11 19 13 12 16 ORDER 14 1 1 1 1 1 CONECT 15 11 5 1 18 13 ORDER 15 1 1 1 1 1 CONECT 16 14 13 12 17 2 ORDER 16 1 1 1 1 1 CONECT 17 18 13 4 16 2 ORDER 17 1 1 1 1 1 CONECT 18 15 1 13 4 17 ORDER 18 1 1 1 1 1 CONECT 19 11 14 7 12 ORDER 19 1 1 1 1 UNIT ENERGY kcalmol ENERGY -876471.77 END BIOGRF 200 DESCRP Ag20 RUTYPE NORMAL RUN FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -1.07112 1.07112 1.07112 0 1 0 0.00000 HETATM 2 Ag -0.98538 -0.98538 3.06060 0 1 0 0.00000 HETATM 3 Ag 0.98538 3.06060 0.98538 0 1 0 0.00000 HETATM 4 Ag -3.06060 0.98538 -0.98538 0 1 0 0.00000 HETATM 5 Ag 0.98538 0.98538 3.06060 0 1 0 0.00000 HETATM 6 Ag -3.06060 -0.98538 0.98538 0 1 0 0.00000 HETATM 7 Ag -0.98538 3.06060 -0.98538 0 1 0 0.00000 HETATM 8 Ag 2.95802 2.95802 2.95802 0 1 0 0.00000 HETATM 9 Ag -2.95802 2.95802 -2.95802 0 1 0 0.00000 HETATM 10 Ag -2.95802 -2.95802 2.95802 0 1 0 0.00000 HETATM 11 Ag 3.06060 0.98538 0.98538 0 1 0 0.00000 HETATM 12 Ag 1.07112 -1.07112 1.07112 0 1 0 0.00000 HETATM 13 Ag 3.06060 -0.98538 -0.98538 0 1 0 0.00000 HETATM 14 Ag -0.98538 -3.06060 0.98538 0 1 0 0.00000 HETATM 15 Ag 0.98538 -3.06060 -0.98538 0 1 0 0.00000 HETATM 16 Ag 2.95802 -2.95802 -2.95802 0 1 0 0.00000 HETATM 17 Ag 1.07112 1.07112 -1.07112 0 1 0 0.00000 HETATM 18 Ag 0.98538 -0.98538 -3.06060 0 1 0 0.00000 HETATM 19 Ag -0.98538 0.98538 -3.06060 0 1 0 0.00000 HETATM 20 Ag -1.07112 -1.07112 -1.07112 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 4 7 6 3 5 2 ORDER 1 1 1 1 1 1 1 CONECT 2 14 6 12 1 10 5 ORDER 2 1 1 1 1 1 1 CONECT 3 17 7 11 1 8 5 ORDER 3 1 1 1 1 1 1 CONECT 4 19 9 20 7 6 1 ORDER 4 1 1 1 1 1 1 CONECT 5 11 3 12 1 8 2 ORDER 5 1 1 1 1 1 1 CONECT 6 20 4 14 1 10 2 ORDER 6 1 1 1 1 1 1 CONECT 7 19 9 17 4 3 1 ORDER 7 1 1 1 1 1 1 CONECT 8 11 3 5 ORDER 8 1 1 1 CONECT 9 19 4 7 ORDER 9 1 1 1 CONECT 10 14 6 2 ORDER 10 1 1 1 CONECT 11 17 13 3 12 8 5 ORDER 11 1 1 1 1 1 1 CONECT 12 15 13 11 14 5 2 ORDER 12 1 1 1 1 1 1 CONECT 13 18 16 17 15 11 12 ORDER 13 1 1 1 1 1 1 CONECT 14 20 15 6 12 10 2 ORDER 14 1 1 1 1 1 1 CONECT 15 18 16 20 13 14 12 ORDER 15 1 1 1 1 1 1 CONECT 16 18 15 13 ORDER 16 1 1 1 CONECT 17 19 18 7 13 11 3 ORDER 17 1 1 1 1 1 1 CONECT 18 19 16 20 17 15 13 ORDER 18 1 1 1 1 1 1 CONECT 19 18 9 20 17 4 7 ORDER 19 1 1 1 1 1 1 CONECT 20 19 18 4 15 14 6 ORDER 20 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -922612.27 END BIOGRF 200 DESCRP S_2 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -3.88572 -2.39389 3.16338 0 1 0 0.00000 HETATM 2 Ag -2.34804 -0.00030 3.17612 0 1 0 0.00000 HETATM 3 Ag -2.37971 -1.47134 5.54724 0 1 0 0.00000 HETATM 4 Ag -4.66998 -0.00048 4.59176 0 1 0 0.00000 HETATM 5 Ag -1.43132 2.35520 1.77424 0 1 0 0.00000 HETATM 6 Ag -3.88577 2.39318 3.16387 0 1 0 0.00000 HETATM 7 Ag 1.46249 -3.84818 4.10526 0 1 0 0.00000 HETATM 8 Ag 2.37967 -1.47133 5.54729 0 1 0 0.00000 HETATM 9 Ag -1.46247 -3.84817 4.10532 0 1 0 0.00000 HETATM 10 Ag 4.66996 -0.00049 4.59173 0 1 0 0.00000 HETATM 11 Ag -0.00002 -2.87680 6.38291 0 1 0 0.00000 HETATM 12 Ag 2.34796 -0.00029 3.17619 0 1 0 0.00000 HETATM 13 Ag 3.88573 -2.39384 3.16345 0 1 0 0.00000 HETATM 14 Ag -0.00001 -0.00022 1.77076 0 1 0 0.00000 HETATM 15 Ag -0.00005 -1.44240 4.08226 0 1 0 0.00000 HETATM 16 Ag -0.00003 -0.00070 6.47397 0 1 0 0.00000 HETATM 17 Ag 4.77348 -0.00009 1.72782 0 1 0 0.00000 HETATM 18 Ag 1.43133 2.35527 1.77431 0 1 0 0.00000 HETATM 19 Ag 2.37963 1.47015 5.54759 0 1 0 0.00000 HETATM 20 Ag 3.88568 2.39323 3.16394 0 1 0 0.00000 HETATM 21 Ag -2.37971 1.47014 5.54764 0 1 0 0.00000 HETATM 22 Ag -0.00006 4.80315 1.70307 0 1 0 0.00000 HETATM 23 Ag 1.45521 3.80079 -0.64946 0 1 0 0.00000 HETATM 24 Ag 2.91269 4.71131 1.69195 0 1 0 0.00000 HETATM 25 Ag 1.46236 3.84727 4.10612 0 1 0 0.00000 HETATM 26 Ag -1.46240 3.84730 4.10608 0 1 0 0.00000 HETATM 27 Ag -0.00004 1.44145 4.08251 0 1 0 0.00000 HETATM 28 Ag -0.00008 2.87538 6.38361 0 1 0 0.00000 HETATM 29 Ag 2.91253 6.10635 -0.77443 0 1 0 0.00000 HETATM 30 Ag 3.84066 3.84700 -2.27000 0 1 0 0.00000 HETATM 31 Ag 5.22271 4.68773 0.06273 0 1 0 0.00000 HETATM 32 Ag 3.77381 2.36046 0.21598 0 1 0 0.00000 HETATM 33 Ag 1.45528 -3.80062 -0.65021 0 1 0 0.00000 HETATM 34 Ag 2.91274 -6.10618 -0.77564 0 1 0 0.00000 HETATM 35 Ag 3.84085 -3.84647 -2.27074 0 1 0 0.00000 HETATM 36 Ag 5.22286 -4.68764 0.06180 0 1 0 0.00000 HETATM 37 Ag -0.00000 -4.80352 1.70212 0 1 0 0.00000 HETATM 38 Ag 3.77385 -2.36037 0.21552 0 1 0 0.00000 HETATM 39 Ag 2.91278 -4.71155 1.69109 0 1 0 0.00000 HETATM 40 Ag 1.43131 -2.35561 1.77384 0 1 0 0.00000 HETATM 41 Ag -1.43134 -2.35568 1.77377 0 1 0 0.00000 HETATM 42 Ag 6.22985 -2.39531 1.46148 0 1 0 0.00000 HETATM 43 Ag 4.69486 1.44213 -3.66918 0 1 0 0.00000 HETATM 44 Ag 4.62735 0.00019 -1.20922 0 1 0 0.00000 HETATM 45 Ag 6.14695 2.36286 -1.35640 0 1 0 0.00000 HETATM 46 Ag 6.22974 2.39521 1.46198 0 1 0 0.00000 HETATM 47 Ag 6.14703 -2.36236 -1.35683 0 1 0 0.00000 HETATM 48 Ag 2.30630 -0.00003 0.31859 0 1 0 0.00000 HETATM 49 Ag 6.95444 0.00040 -2.72800 0 1 0 0.00000 HETATM 50 Ag 7.06568 0.00010 0.09560 0 1 0 0.00000 HETATM 51 Ag -4.69479 -1.44144 -3.66946 0 1 0 0.00000 HETATM 52 Ag -2.34409 1.44438 -2.14598 0 1 0 0.00000 HETATM 53 Ag -4.62733 0.00010 -1.20928 0 1 0 0.00000 HETATM 54 Ag -6.95445 0.00032 -2.72812 0 1 0 0.00000 HETATM 55 Ag -4.69480 1.44205 -3.66919 0 1 0 0.00000 HETATM 56 Ag -2.34293 2.89991 -4.55461 0 1 0 0.00000 HETATM 57 Ag -1.45952 5.25701 -3.09050 0 1 0 0.00000 HETATM 58 Ag 0.00002 -2.86410 -2.96905 0 1 0 0.00000 HETATM 59 Ag 1.45956 -5.25643 -3.09143 0 1 0 0.00000 HETATM 60 Ag -1.45945 -5.25646 -3.09143 0 1 0 0.00000 HETATM 61 Ag -2.34292 -2.89910 -4.55517 0 1 0 0.00000 HETATM 62 Ag 0.00007 -6.19611 -0.82012 0 1 0 0.00000 HETATM 63 Ag -2.34405 -1.44396 -2.14631 0 1 0 0.00000 HETATM 64 Ag 0.00002 -1.41904 -0.56921 0 1 0 0.00000 HETATM 65 Ag -2.37409 0.00040 -4.62764 0 1 0 0.00000 HETATM 66 Ag -6.14695 -2.36249 -1.35685 0 1 0 0.00000 HETATM 67 Ag -3.77376 -2.36048 0.21547 0 1 0 0.00000 HETATM 68 Ag -2.91263 -6.10619 -0.77563 0 1 0 0.00000 HETATM 69 Ag -1.45517 -3.80067 -0.65030 0 1 0 0.00000 HETATM 70 Ag -3.84075 -3.84649 -2.27081 0 1 0 0.00000 HETATM 71 Ag -5.22277 -4.68767 0.06180 0 1 0 0.00000 HETATM 72 Ag -2.91270 -4.71161 1.69105 0 1 0 0.00000 HETATM 73 Ag 0.00008 -1.45564 -5.43528 0 1 0 0.00000 HETATM 74 Ag 0.00004 -4.30092 -5.34200 0 1 0 0.00000 HETATM 75 Ag -0.00002 0.00031 -3.03750 0 1 0 0.00000 HETATM 76 Ag 2.34294 -2.89904 -4.55521 0 1 0 0.00000 HETATM 77 Ag 4.69486 -1.44136 -3.66946 0 1 0 0.00000 HETATM 78 Ag 2.34407 1.44438 -2.14599 0 1 0 0.00000 HETATM 79 Ag -0.00004 1.41906 -0.56896 0 1 0 0.00000 HETATM 80 Ag 2.34293 2.89997 -4.55466 0 1 0 0.00000 HETATM 81 Ag 0.00003 2.86463 -2.96861 0 1 0 0.00000 HETATM 82 Ag 1.45950 5.25704 -3.09050 0 1 0 0.00000 HETATM 83 Ag -0.00001 1.45660 -5.43505 0 1 0 0.00000 HETATM 84 Ag 0.00002 4.30189 -5.34124 0 1 0 0.00000 HETATM 85 Ag 2.34407 -1.44387 -2.14630 0 1 0 0.00000 HETATM 86 Ag 2.37413 0.00047 -4.62761 0 1 0 0.00000 HETATM 87 Ag -7.06568 0.00009 0.09555 0 1 0 0.00000 HETATM 88 Ag -6.14696 2.36279 -1.35647 0 1 0 0.00000 HETATM 89 Ag -3.84065 3.84691 -2.27010 0 1 0 0.00000 HETATM 90 Ag -4.77350 -0.00019 1.72784 0 1 0 0.00000 HETATM 91 Ag -2.30629 -0.00001 0.31862 0 1 0 0.00000 HETATM 92 Ag -6.22989 -2.39533 1.46148 0 1 0 0.00000 HETATM 93 Ag -6.22979 2.39521 1.46188 0 1 0 0.00000 HETATM 94 Ag -3.77385 2.36044 0.21595 0 1 0 0.00000 HETATM 95 Ag -5.22279 4.68767 0.06266 0 1 0 0.00000 HETATM 96 Ag -1.45524 3.80073 -0.64955 0 1 0 0.00000 HETATM 97 Ag -2.91280 4.71126 1.69192 0 1 0 0.00000 HETATM 98 Ag -0.00002 6.19623 -0.81893 0 1 0 0.00000 HETATM 99 Ag -2.91264 6.10635 -0.77452 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 92 72 41 4 ORDER 1 1 1 1 1 CONECT 2 90 14 6 4 3 21 ORDER 2 1 1 1 1 1 1 CONECT 3 2 15 9 4 21 11 ORDER 3 1 1 1 1 1 1 CONECT 4 90 1 6 2 3 21 ORDER 4 1 1 1 1 1 1 CONECT 5 96 94 97 6 26 ORDER 5 1 1 1 1 1 CONECT 6 93 97 5 2 4 ORDER 6 1 1 1 1 1 CONECT 7 39 40 9 8 11 ORDER 7 1 1 1 1 1 CONECT 8 12 15 7 10 19 11 ORDER 8 1 1 1 1 1 1 CONECT 9 72 41 15 7 3 11 ORDER 9 1 1 1 1 1 1 CONECT 10 17 13 20 12 8 19 ORDER 10 1 1 1 1 1 1 CONECT 11 15 7 9 3 8 16 ORDER 11 1 1 1 1 1 1 CONECT 12 17 14 20 10 8 19 ORDER 12 1 1 1 1 1 1 CONECT 13 42 39 40 10 ORDER 13 1 1 1 1 CONECT 14 48 91 2 12 15 27 ORDER 14 1 1 1 1 1 1 CONECT 15 14 9 3 8 11 16 ORDER 15 1 1 1 1 1 1 CONECT 16 15 27 11 28 ORDER 16 1 1 1 1 CONECT 17 50 48 42 46 12 10 ORDER 17 1 1 1 1 1 1 CONECT 18 23 32 24 22 20 25 ORDER 18 1 1 1 1 1 1 CONECT 19 12 27 25 10 8 28 ORDER 19 1 1 1 1 1 1 CONECT 20 46 24 18 12 10 ORDER 20 1 1 1 1 1 CONECT 21 2 27 26 4 3 28 ORDER 21 1 1 1 1 1 1 CONECT 22 98 97 24 18 ORDER 22 1 1 1 1 CONECT 23 82 98 29 79 32 18 ORDER 23 1 1 1 1 1 1 CONECT 24 29 31 22 18 20 ORDER 24 1 1 1 1 1 CONECT 25 18 26 19 28 ORDER 25 1 1 1 1 CONECT 26 97 5 27 25 21 28 ORDER 26 1 1 1 1 1 1 CONECT 27 14 26 19 21 28 16 ORDER 27 1 1 1 1 1 1 CONECT 28 27 26 25 19 21 16 ORDER 28 1 1 1 1 1 1 CONECT 29 82 30 98 23 31 24 ORDER 29 1 1 1 1 1 1 CONECT 30 80 82 78 29 31 ORDER 30 1 1 1 1 1 CONECT 31 30 45 29 32 46 24 ORDER 31 1 1 1 1 1 1 CONECT 32 45 23 31 48 46 18 ORDER 32 1 1 1 1 1 1 CONECT 33 59 62 34 64 38 40 ORDER 33 1 1 1 1 1 1 CONECT 34 59 35 62 33 36 39 ORDER 34 1 1 1 1 1 1 CONECT 35 76 59 85 34 36 ORDER 35 1 1 1 1 1 CONECT 36 35 47 34 38 42 39 ORDER 36 1 1 1 1 1 1 CONECT 37 62 72 39 41 40 ORDER 37 1 1 1 1 1 CONECT 38 47 33 36 48 42 40 ORDER 38 1 1 1 1 1 1 CONECT 39 34 36 37 40 13 7 ORDER 39 1 1 1 1 1 1 CONECT 40 33 38 39 37 13 7 ORDER 40 1 1 1 1 1 1 CONECT 41 69 67 72 37 1 9 ORDER 41 1 1 1 1 1 1 CONECT 42 47 36 50 38 17 13 ORDER 42 1 1 1 1 1 1 CONECT 43 86 77 49 78 45 44 ORDER 43 1 1 1 1 1 1 CONECT 44 43 49 47 45 50 48 ORDER 44 1 1 1 1 1 1 CONECT 45 43 49 44 31 32 46 ORDER 45 1 1 1 1 1 1 CONECT 46 45 31 50 32 17 20 ORDER 46 1 1 1 1 1 1 CONECT 47 77 49 44 36 38 42 ORDER 47 1 1 1 1 1 1 CONECT 48 44 38 32 17 14 ORDER 48 1 1 1 1 1 CONECT 49 77 43 47 45 44 50 ORDER 49 1 1 1 1 1 1 CONECT 50 49 44 42 46 17 ORDER 50 1 1 1 1 1 CONECT 51 65 55 54 63 66 ORDER 51 1 1 1 1 1 CONECT 52 56 55 89 79 91 ORDER 52 1 1 1 1 1 CONECT 53 55 54 66 88 87 91 ORDER 53 1 1 1 1 1 1 CONECT 54 51 55 66 88 53 87 ORDER 54 1 1 1 1 1 1 CONECT 55 65 51 54 52 88 53 ORDER 55 1 1 1 1 1 1 CONECT 56 83 84 81 89 52 ORDER 56 1 1 1 1 1 CONECT 57 84 81 89 98 99 96 ORDER 57 1 1 1 1 1 1 CONECT 58 74 76 61 60 59 64 ORDER 58 1 1 1 1 1 1 CONECT 59 74 58 35 62 34 33 ORDER 59 1 1 1 1 1 1 CONECT 60 74 58 70 62 68 69 ORDER 60 1 1 1 1 1 1 CONECT 61 73 74 58 70 63 ORDER 61 1 1 1 1 1 CONECT 62 60 59 34 69 33 37 ORDER 62 1 1 1 1 1 1 CONECT 63 65 61 51 70 64 ORDER 63 1 1 1 1 1 CONECT 64 58 63 85 69 33 79 ORDER 64 1 1 1 1 1 1 CONECT 65 73 83 51 55 75 63 ORDER 65 1 1 1 1 1 1 CONECT 66 51 54 53 71 67 92 ORDER 66 1 1 1 1 1 1 CONECT 67 66 69 71 91 92 41 ORDER 67 1 1 1 1 1 1 CONECT 68 60 70 69 71 72 ORDER 68 1 1 1 1 1 CONECT 69 60 62 68 64 67 41 ORDER 69 1 1 1 1 1 1 CONECT 70 61 60 63 68 71 ORDER 70 1 1 1 1 1 CONECT 71 70 66 68 67 92 72 ORDER 71 1 1 1 1 1 1 CONECT 72 68 71 37 41 1 9 ORDER 72 1 1 1 1 1 1 CONECT 73 74 65 86 76 61 75 ORDER 73 1 1 1 1 1 1 CONECT 74 73 76 61 60 59 58 ORDER 74 1 1 1 1 1 1 CONECT 75 73 83 65 86 ORDER 75 1 1 1 1 CONECT 76 73 74 58 35 85 ORDER 76 1 1 1 1 1 CONECT 77 86 43 49 85 47 ORDER 77 1 1 1 1 1 CONECT 78 86 80 43 30 79 ORDER 78 1 1 1 1 1 CONECT 79 81 78 52 96 23 64 ORDER 79 1 1 1 1 1 1 CONECT 80 83 84 81 30 78 ORDER 80 1 1 1 1 1 CONECT 81 84 80 56 57 82 79 ORDER 81 1 1 1 1 1 1 CONECT 82 84 81 30 98 29 23 ORDER 82 1 1 1 1 1 1 CONECT 83 84 65 80 56 75 ORDER 83 1 1 1 1 1 CONECT 84 83 80 56 57 82 81 ORDER 84 1 1 1 1 1 1 CONECT 85 86 76 77 35 64 ORDER 85 1 1 1 1 1 CONECT 86 73 77 43 75 85 78 ORDER 86 1 1 1 1 1 1 CONECT 87 54 53 92 93 90 ORDER 87 1 1 1 1 1 CONECT 88 55 54 53 95 94 93 ORDER 88 1 1 1 1 1 1 CONECT 89 56 57 52 99 95 ORDER 89 1 1 1 1 1 CONECT 90 87 91 92 93 2 4 ORDER 90 1 1 1 1 1 1 CONECT 91 52 53 67 94 90 14 ORDER 91 1 1 1 1 1 1 CONECT 92 66 71 87 67 90 1 ORDER 92 1 1 1 1 1 1 CONECT 93 88 95 87 94 90 6 ORDER 93 1 1 1 1 1 1 CONECT 94 88 96 95 91 93 5 ORDER 94 1 1 1 1 1 1 CONECT 95 89 88 99 94 93 97 ORDER 95 1 1 1 1 1 1 CONECT 96 57 98 99 79 94 5 ORDER 96 1 1 1 1 1 1 CONECT 97 99 95 22 5 6 26 ORDER 97 1 1 1 1 1 1 CONECT 98 57 82 29 96 23 22 ORDER 98 1 1 1 1 1 1 CONECT 99 57 89 96 95 97 ORDER 99 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -4529310.70 END BIOGRF 200 DESCRP S_944 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.46108 0.04049 -0.04444 0 1 0 0.00000 HETATM 2 Ag -0.43164 1.86917 -1.01477 0 1 0 0.00000 HETATM 3 Ag -1.05038 -0.68546 0.02413 0 1 0 0.00000 HETATM 4 Ag -1.07267 3.44140 1.09190 0 1 0 0.00000 HETATM 5 Ag 1.74475 2.64050 0.66981 0 1 0 0.00000 HETATM 6 Ag -2.79843 1.19143 0.94114 0 1 0 0.00000 HETATM 7 Ag -3.61846 -1.48727 0.13043 0 1 0 0.00000 HETATM 8 Ag -2.88291 3.06166 -1.02096 0 1 0 0.00000 HETATM 9 Ag 2.19417 1.67854 -2.07524 0 1 0 0.00000 HETATM 10 Ag -2.68877 0.36809 -1.86913 0 1 0 0.00000 HETATM 11 Ag -0.15548 1.02050 2.07221 0 1 0 0.00000 HETATM 12 Ag 0.18545 -0.44649 -2.52154 0 1 0 0.00000 HETATM 13 Ag 2.62244 0.42307 2.36455 0 1 0 0.00000 HETATM 14 Ag 0.69433 -1.74446 1.99180 0 1 0 0.00000 HETATM 15 Ag 3.27169 -1.81476 0.71141 0 1 0 0.00000 HETATM 16 Ag 4.01537 0.86245 -0.06905 0 1 0 0.00000 HETATM 17 Ag 2.97769 -1.04140 -2.00177 0 1 0 0.00000 HETATM 18 Ag 0.87515 -2.61037 -0.76390 0 1 0 0.00000 HETATM 19 Ag -1.81566 -2.40169 -1.90780 0 1 0 0.00000 HETATM 20 Ag -2.06962 -1.10364 2.51030 0 1 0 0.00000 HETATM 21 Ag -1.45811 -3.26174 0.78093 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 9 17 16 3 15 13 ORDER 1 1 1 1 1 1 1 CONECT 2 12 9 10 8 4 ORDER 2 1 1 1 1 1 CONECT 3 19 10 1 7 21 20 ORDER 3 1 1 1 1 1 1 CONECT 4 8 2 5 6 11 ORDER 4 1 1 1 1 1 CONECT 5 9 16 4 11 13 ORDER 5 1 1 1 1 1 CONECT 6 10 8 7 4 11 20 ORDER 6 1 1 1 1 1 1 CONECT 7 19 10 3 21 6 20 ORDER 7 1 1 1 1 1 1 CONECT 8 10 2 6 4 ORDER 8 1 1 1 1 CONECT 9 12 17 2 16 1 5 ORDER 9 1 1 1 1 1 1 CONECT 10 19 8 2 3 7 6 ORDER 10 1 1 1 1 1 1 CONECT 11 5 6 4 14 13 20 ORDER 11 1 1 1 1 1 1 CONECT 12 9 17 19 2 18 ORDER 12 1 1 1 1 1 CONECT 13 16 1 5 15 14 11 ORDER 13 1 1 1 1 1 1 CONECT 14 18 15 21 11 13 20 ORDER 14 1 1 1 1 1 1 CONECT 15 17 18 16 1 14 13 ORDER 15 1 1 1 1 1 1 CONECT 16 9 17 1 5 15 13 ORDER 16 1 1 1 1 1 1 CONECT 17 12 9 18 16 1 15 ORDER 17 1 1 1 1 1 1 CONECT 18 12 17 19 15 21 14 ORDER 18 1 1 1 1 1 1 CONECT 19 12 10 18 3 7 21 ORDER 19 1 1 1 1 1 1 CONECT 20 3 7 21 6 14 11 ORDER 20 1 1 1 1 1 1 CONECT 21 19 18 3 7 14 20 ORDER 21 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -960704.32 END BIOGRF 200 DESCRP S_1013 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.28322 -2.54547 -0.77731 0 1 0 0.00000 HETATM 2 Ag -0.78197 -0.77219 0.08369 0 1 0 0.00000 HETATM 3 Ag 4.14632 1.17782 -0.20730 0 1 0 0.00000 HETATM 4 Ag 1.14079 -1.70304 1.97253 0 1 0 0.00000 HETATM 5 Ag 3.66375 -1.55340 0.59643 0 1 0 0.00000 HETATM 6 Ag -0.93960 -3.38141 0.84064 0 1 0 0.00000 HETATM 7 Ag 2.90951 0.61892 2.27769 0 1 0 0.00000 HETATM 8 Ag -1.62763 -1.32070 2.61990 0 1 0 0.00000 HETATM 9 Ag -3.29204 -1.74637 0.25818 0 1 0 0.00000 HETATM 10 Ag -2.59877 0.93871 1.20293 0 1 0 0.00000 HETATM 11 Ag -2.48574 0.08287 -1.87240 0 1 0 0.00000 HETATM 12 Ag -3.03802 2.67809 -0.84612 0 1 0 0.00000 HETATM 13 Ag -1.43090 -2.58641 -1.82119 0 1 0 0.00000 HETATM 14 Ag -4.75569 0.53346 -0.43042 0 1 0 0.00000 HETATM 15 Ag -0.40931 1.81294 -0.98222 0 1 0 0.00000 HETATM 16 Ag 0.37070 -0.45632 -2.51323 0 1 0 0.00000 HETATM 17 Ag 1.66828 0.14373 -0.08014 0 1 0 0.00000 HETATM 18 Ag 3.20669 -0.80736 -2.09485 0 1 0 0.00000 HETATM 19 Ag 0.09471 0.98006 2.12270 0 1 0 0.00000 HETATM 20 Ag 2.18512 1.83672 -2.13466 0 1 0 0.00000 HETATM 21 Ag -1.07549 3.31183 1.15988 0 1 0 0.00000 HETATM 22 Ag 1.76606 2.75754 0.62526 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 16 18 6 4 ORDER 1 1 1 1 1 CONECT 2 11 13 17 9 6 8 ORDER 2 1 1 1 1 1 1 CONECT 3 20 18 17 5 22 7 ORDER 3 1 1 1 1 1 1 CONECT 4 1 5 6 19 8 ORDER 4 1 1 1 1 1 CONECT 5 18 3 17 4 7 ORDER 5 1 1 1 1 1 CONECT 6 13 1 2 9 4 8 ORDER 6 1 1 1 1 1 1 CONECT 7 3 17 5 22 19 ORDER 7 1 1 1 1 1 CONECT 8 2 9 6 10 4 19 ORDER 8 1 1 1 1 1 1 CONECT 9 11 13 14 2 6 8 ORDER 9 1 1 1 1 1 1 CONECT 10 12 14 21 19 8 ORDER 10 1 1 1 1 1 CONECT 11 13 15 12 14 2 9 ORDER 11 1 1 1 1 1 1 CONECT 12 11 15 14 21 10 ORDER 12 1 1 1 1 1 CONECT 13 16 11 2 9 6 ORDER 13 1 1 1 1 1 CONECT 14 11 12 9 10 ORDER 14 1 1 1 1 CONECT 15 16 20 11 12 21 ORDER 15 1 1 1 1 1 CONECT 16 20 18 13 15 1 ORDER 16 1 1 1 1 1 CONECT 17 18 3 2 5 22 7 ORDER 17 1 1 1 1 1 1 CONECT 18 16 20 1 3 17 5 ORDER 18 1 1 1 1 1 1 CONECT 19 22 21 10 4 7 8 ORDER 19 1 1 1 1 1 1 CONECT 20 16 18 15 3 22 ORDER 20 1 1 1 1 1 CONECT 21 15 12 22 10 19 ORDER 21 1 1 1 1 1 CONECT 22 20 3 17 21 19 7 ORDER 22 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1006455.13 END BIOGRF 200 DESCRP S_1085 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -2.41750 -1.57072 2.30999 0 1 0 0.00000 HETATM 2 Ag -2.35159 -3.27594 -0.00007 0 1 0 0.00000 HETATM 3 Ag 0.00004 -0.00002 2.42365 0 1 0 0.00000 HETATM 4 Ag -2.45085 1.24814 1.45547 0 1 0 0.00000 HETATM 5 Ag -1.28819 -0.83699 0.00003 0 1 0 0.00000 HETATM 6 Ag -2.45099 1.24816 -1.45528 0 1 0 0.00000 HETATM 7 Ag -0.08072 1.53415 0.00002 0 1 0 0.00000 HETATM 8 Ag -3.94889 -0.81745 0.00005 0 1 0 0.00000 HETATM 9 Ag -1.66124 3.67448 0.00013 0 1 0 0.00000 HETATM 10 Ag -0.15134 2.87887 2.31001 0 1 0 0.00000 HETATM 11 Ag 1.26649 3.82848 -0.00008 0 1 0 0.00000 HETATM 12 Ag 2.56901 -1.30827 2.31001 0 1 0 0.00000 HETATM 13 Ag 4.01285 -0.39853 -0.00007 0 1 0 0.00000 HETATM 14 Ag 0.14457 -2.74660 1.45530 0 1 0 0.00000 HETATM 15 Ag 2.56895 -1.30831 -2.30999 0 1 0 0.00000 HETATM 16 Ag 1.36892 -0.69714 -0.00006 0 1 0 0.00000 HETATM 17 Ag 2.68241 -3.01103 0.00003 0 1 0 0.00000 HETATM 18 Ag 2.30641 1.49849 1.45524 0 1 0 0.00000 HETATM 19 Ag 0.14456 -2.74662 -1.45536 0 1 0 0.00000 HETATM 20 Ag 2.30631 1.49846 -1.45539 0 1 0 0.00000 HETATM 21 Ag -0.00004 0.00003 -2.42366 0 1 0 0.00000 HETATM 22 Ag -0.15162 2.87898 -2.31001 0 1 0 0.00000 HETATM 23 Ag -2.41755 -1.57063 -2.30997 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 5 8 14 3 ORDER 1 1 1 1 1 1 CONECT 2 23 19 5 8 14 1 ORDER 2 1 1 1 1 1 1 CONECT 3 1 12 10 ORDER 3 1 1 1 CONECT 4 6 8 9 10 ORDER 4 1 1 1 1 CONECT 5 23 2 16 7 8 1 ORDER 5 1 1 1 1 1 1 CONECT 6 21 23 8 9 4 ORDER 6 1 1 1 1 1 CONECT 7 22 11 16 5 9 10 ORDER 7 1 1 1 1 1 1 CONECT 8 23 6 2 5 4 1 ORDER 8 1 1 1 1 1 1 CONECT 9 22 6 11 7 4 10 ORDER 9 1 1 1 1 1 1 CONECT 10 11 7 9 18 4 3 ORDER 10 1 1 1 1 1 1 CONECT 11 22 20 7 9 18 10 ORDER 11 1 1 1 1 1 1 CONECT 12 13 16 17 18 14 3 ORDER 12 1 1 1 1 1 1 CONECT 13 15 20 16 17 18 12 ORDER 13 1 1 1 1 1 1 CONECT 14 19 2 17 1 12 ORDER 14 1 1 1 1 1 CONECT 15 21 20 19 13 16 17 ORDER 15 1 1 1 1 1 1 CONECT 16 15 13 7 17 5 12 ORDER 16 1 1 1 1 1 1 CONECT 17 15 19 13 16 14 12 ORDER 17 1 1 1 1 1 1 CONECT 18 20 11 13 12 10 ORDER 18 1 1 1 1 1 CONECT 19 21 15 23 2 17 14 ORDER 19 1 1 1 1 1 1 CONECT 20 21 22 15 11 13 18 ORDER 20 1 1 1 1 1 1 CONECT 21 22 15 23 20 19 6 ORDER 21 1 1 1 1 1 1 CONECT 22 21 20 11 7 9 ORDER 22 1 1 1 1 1 CONECT 23 21 19 6 2 5 8 ORDER 23 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1052199.36 END BIOGRF 200 DESCRP S_1160 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -1.34918 0.98722 2.41290 0 1 0 0.00000 HETATM 2 Ag -2.92491 -1.48727 1.93869 0 1 0 0.00000 HETATM 3 Ag -1.35531 -2.93992 -0.00004 0 1 0 0.00000 HETATM 4 Ag -3.92351 0.85794 0.80466 0 1 0 0.00000 HETATM 5 Ag -0.18015 -1.66271 2.41291 0 1 0 0.00000 HETATM 6 Ag -3.70165 -1.55858 -0.80416 0 1 0 0.00000 HETATM 7 Ag 0.76857 -3.19007 -1.93874 0 1 0 0.00000 HETATM 8 Ag 0.89483 -1.26613 0.00007 0 1 0 0.00000 HETATM 9 Ag 3.20043 -2.42633 -0.80474 0 1 0 0.00000 HETATM 10 Ag 2.75088 -1.78978 1.93832 0 1 0 0.00000 HETATM 11 Ag 1.21888 -3.82689 0.80417 0 1 0 0.00000 HETATM 12 Ag -1.14735 -1.21673 -2.41291 0 1 0 0.00000 HETATM 13 Ag -1.54388 -0.14181 -0.00000 0 1 0 0.00000 HETATM 14 Ag -3.14758 0.92942 -1.93828 0 1 0 0.00000 HETATM 15 Ag 0.64912 1.40799 -0.00002 0 1 0 0.00000 HETATM 16 Ag -1.86834 2.64376 0.00023 0 1 0 0.00000 HETATM 17 Ag 2.70493 2.96894 0.80418 0 1 0 0.00000 HETATM 18 Ag 1.62701 -0.38478 -2.41288 0 1 0 0.00000 HETATM 19 Ag 3.22375 0.29626 -0.00022 0 1 0 0.00000 HETATM 20 Ag -0.48058 1.60178 -2.41264 0 1 0 0.00000 HETATM 21 Ag 2.37823 2.26107 -1.93870 0 1 0 0.00000 HETATM 22 Ag 0.50093 3.98499 -0.80420 0 1 0 0.00000 HETATM 23 Ag 1.53016 0.67479 2.41271 0 1 0 0.00000 HETATM 24 Ag 0.17472 3.27685 1.93867 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 13 16 24 2 23 5 ORDER 1 1 1 1 1 1 1 CONECT 2 6 3 4 1 5 ORDER 2 1 1 1 1 1 CONECT 3 7 6 11 2 ORDER 3 1 1 1 1 CONECT 4 14 6 13 16 2 ORDER 4 1 1 1 1 1 CONECT 5 8 11 10 2 23 1 ORDER 5 1 1 1 1 1 1 CONECT 6 12 14 3 13 4 2 ORDER 6 1 1 1 1 1 1 CONECT 7 12 18 9 3 11 ORDER 7 1 1 1 1 1 CONECT 8 18 9 15 13 11 5 ORDER 8 1 1 1 1 1 1 CONECT 9 7 19 8 11 10 ORDER 9 1 1 1 1 1 CONECT 10 9 19 11 23 5 ORDER 10 1 1 1 1 1 CONECT 11 7 9 3 8 10 5 ORDER 11 1 1 1 1 1 1 CONECT 12 18 20 7 14 6 13 ORDER 12 1 1 1 1 1 1 CONECT 13 12 6 15 8 4 1 ORDER 13 1 1 1 1 1 1 CONECT 14 12 20 6 16 4 ORDER 14 1 1 1 1 1 CONECT 15 20 22 13 8 17 23 ORDER 15 1 1 1 1 1 1 CONECT 16 20 14 22 4 24 1 ORDER 16 1 1 1 1 1 1 CONECT 17 21 22 19 15 24 ORDER 17 1 1 1 1 1 CONECT 18 12 20 7 21 19 8 ORDER 18 1 1 1 1 1 1 CONECT 19 18 21 9 17 10 23 ORDER 19 1 1 1 1 1 1 CONECT 20 12 18 21 14 15 16 ORDER 20 1 1 1 1 1 1 CONECT 21 18 20 22 19 17 ORDER 21 1 1 1 1 1 CONECT 22 21 15 16 17 24 ORDER 22 1 1 1 1 1 CONECT 23 19 15 10 24 1 5 ORDER 23 1 1 1 1 1 1 CONECT 24 22 16 17 23 1 ORDER 24 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1097942.95 END BIOGRF 200 DESCRP S_1238 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.55844 0.59554 -2.39476 0 1 0 0.00000 HETATM 2 Ag 0.64084 3.21435 -2.10969 0 1 0 0.00000 HETATM 3 Ag -0.06794 1.56228 -0.02301 0 1 0 0.00000 HETATM 4 Ag -1.29500 1.05182 -2.39478 0 1 0 0.00000 HETATM 5 Ag -1.59796 2.52294 1.91872 0 1 0 0.00000 HETATM 6 Ag -1.31901 -0.83993 -0.02302 0 1 0 0.00000 HETATM 7 Ag -1.86763 3.47504 -0.85561 0 1 0 0.00000 HETATM 8 Ag -3.16450 1.13298 -0.16648 0 1 0 0.00000 HETATM 9 Ag -3.87054 -1.71982 0.49721 0 1 0 0.00000 HETATM 10 Ag -0.26337 -1.64742 -2.39474 0 1 0 0.00000 HETATM 11 Ag -2.72718 -0.05316 2.33804 0 1 0 0.00000 HETATM 12 Ag -3.10413 -1.05221 -2.10973 0 1 0 0.00000 HETATM 13 Ag -2.07568 -3.35491 -0.85559 0 1 0 0.00000 HETATM 14 Ag 1.38699 -0.72225 -0.02298 0 1 0 0.00000 HETATM 15 Ag 3.94326 -0.12010 -0.85561 0 1 0 0.00000 HETATM 16 Ag 0.60101 -3.30707 -0.16648 0 1 0 0.00000 HETATM 17 Ag 3.42471 -2.49211 0.49727 0 1 0 0.00000 HETATM 18 Ag 2.46334 -2.16207 -2.10969 0 1 0 0.00000 HETATM 19 Ag 2.56345 2.17406 -0.16650 0 1 0 0.00000 HETATM 20 Ag 1.31753 2.38838 2.33810 0 1 0 0.00000 HETATM 21 Ag 0.44587 4.21188 0.49731 0 1 0 0.00000 HETATM 22 Ag -1.38602 -2.64532 1.91873 0 1 0 0.00000 HETATM 23 Ag 2.98395 0.12234 1.91872 0 1 0 0.00000 HETATM 24 Ag -0.00005 -0.00001 2.38649 0 1 0 0.00000 HETATM 25 Ag 1.40960 -2.33523 2.33809 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 4 10 18 2 19 14 ORDER 1 1 1 1 1 1 1 CONECT 2 4 1 7 19 21 ORDER 2 1 1 1 1 1 CONECT 3 4 19 6 14 21 5 ORDER 3 1 1 1 1 1 1 CONECT 4 1 10 12 2 8 3 ORDER 4 1 1 1 1 1 1 CONECT 5 7 8 3 21 11 20 ORDER 5 1 1 1 1 1 1 CONECT 6 10 8 3 14 9 22 ORDER 6 1 1 1 1 1 1 CONECT 7 2 8 21 5 ORDER 7 1 1 1 1 CONECT 8 4 12 7 6 5 11 ORDER 8 1 1 1 1 1 1 CONECT 9 12 13 6 22 11 ORDER 9 1 1 1 1 1 CONECT 10 4 1 12 18 16 6 ORDER 10 1 1 1 1 1 1 CONECT 11 8 9 5 22 24 ORDER 11 1 1 1 1 1 CONECT 12 4 10 13 8 9 ORDER 12 1 1 1 1 1 CONECT 13 12 16 9 22 ORDER 13 1 1 1 1 CONECT 14 1 16 6 3 17 23 ORDER 14 1 1 1 1 1 1 CONECT 15 18 19 17 23 ORDER 15 1 1 1 1 CONECT 16 10 18 13 14 22 25 ORDER 16 1 1 1 1 1 1 CONECT 17 18 15 14 23 25 ORDER 17 1 1 1 1 1 CONECT 18 1 10 15 16 17 ORDER 18 1 1 1 1 1 CONECT 19 1 2 15 3 23 20 ORDER 19 1 1 1 1 1 1 CONECT 20 19 21 23 5 24 ORDER 20 1 1 1 1 1 CONECT 21 2 7 3 5 20 ORDER 21 1 1 1 1 1 CONECT 22 13 16 6 9 11 25 ORDER 22 1 1 1 1 1 1 CONECT 23 15 19 14 17 25 20 ORDER 23 1 1 1 1 1 1 CONECT 24 11 25 20 ORDER 24 1 1 1 CONECT 25 16 17 23 22 24 ORDER 25 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1143690.63 END BIOGRF 200 DESCRP S_1319 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 2.15694 -0.25633 -0.25884 0 1 0 0.00000 HETATM 2 Ag 4.15347 0.20677 1.50002 0 1 0 0.00000 HETATM 3 Ag 2.81923 -0.59300 -2.85167 0 1 0 0.00000 HETATM 4 Ag 4.22272 1.21472 -1.17194 0 1 0 0.00000 HETATM 5 Ag 0.00003 -1.78752 0.57600 0 1 0 0.00000 HETATM 6 Ag 4.41594 -1.63115 -0.66614 0 1 0 0.00000 HETATM 7 Ag 1.44601 0.23197 2.45752 0 1 0 0.00000 HETATM 8 Ag 1.49510 1.85253 -1.99881 0 1 0 0.00000 HETATM 9 Ag 2.40499 2.40005 0.72415 0 1 0 0.00000 HETATM 10 Ag 0.00005 1.12637 0.23705 0 1 0 0.00000 HETATM 11 Ag -0.00001 2.76818 2.34881 0 1 0 0.00000 HETATM 12 Ag -1.49514 1.85254 -1.99881 0 1 0 0.00000 HETATM 13 Ag 0.00005 3.72701 -0.34728 0 1 0 0.00000 HETATM 14 Ag -2.40495 2.40000 0.72415 0 1 0 0.00000 HETATM 15 Ag -0.00008 -0.66518 -2.10423 0 1 0 0.00000 HETATM 16 Ag -1.44592 0.23203 2.45754 0 1 0 0.00000 HETATM 17 Ag 1.87001 -2.76351 -1.27815 0 1 0 0.00000 HETATM 18 Ag -1.87010 -2.76352 -1.27809 0 1 0 0.00000 HETATM 19 Ag -2.15689 -0.25637 -0.25872 0 1 0 0.00000 HETATM 20 Ag -2.81929 -0.59293 -2.85160 0 1 0 0.00000 HETATM 21 Ag 0.00003 -2.03000 3.22725 0 1 0 0.00000 HETATM 22 Ag 2.58810 -2.23158 1.57488 0 1 0 0.00000 HETATM 23 Ag -4.22275 1.21478 -1.17192 0 1 0 0.00000 HETATM 24 Ag -2.58809 -2.23150 1.57485 0 1 0 0.00000 HETATM 25 Ag -4.15343 0.20675 1.50008 0 1 0 0.00000 HETATM 26 Ag -4.41603 -1.63112 -0.66610 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 3 17 4 6 10 2 ORDER 1 1 1 1 1 1 1 CONECT 2 4 6 1 9 22 7 ORDER 2 1 1 1 1 1 1 CONECT 3 15 8 17 4 6 1 ORDER 3 1 1 1 1 1 1 CONECT 4 3 8 6 1 9 2 ORDER 4 1 1 1 1 1 1 CONECT 5 17 18 24 22 21 ORDER 5 1 1 1 1 1 CONECT 6 3 17 4 1 2 22 ORDER 6 1 1 1 1 1 1 CONECT 7 2 22 11 16 21 ORDER 7 1 1 1 1 1 CONECT 8 3 4 13 9 ORDER 8 1 1 1 1 CONECT 9 8 4 13 10 2 11 ORDER 9 1 1 1 1 1 1 CONECT 10 13 1 19 14 9 11 ORDER 10 1 1 1 1 1 1 CONECT 11 13 10 14 9 7 16 ORDER 11 1 1 1 1 1 1 CONECT 12 20 15 23 13 14 ORDER 12 1 1 1 1 1 CONECT 13 8 12 10 9 11 ORDER 13 1 1 1 1 1 CONECT 14 12 23 10 25 11 ORDER 14 1 1 1 1 1 CONECT 15 3 20 12 17 18 ORDER 15 1 1 1 1 1 CONECT 16 25 24 11 7 21 ORDER 16 1 1 1 1 1 CONECT 17 3 15 6 1 5 22 ORDER 17 1 1 1 1 1 1 CONECT 18 20 15 26 19 5 24 ORDER 18 1 1 1 1 1 1 CONECT 19 20 18 23 26 10 25 ORDER 19 1 1 1 1 1 1 CONECT 20 15 12 18 23 26 19 ORDER 20 1 1 1 1 1 1 CONECT 21 5 24 22 7 16 ORDER 21 1 1 1 1 1 CONECT 22 17 6 5 2 7 21 ORDER 22 1 1 1 1 1 1 CONECT 23 20 12 26 19 14 25 ORDER 23 1 1 1 1 1 1 CONECT 24 18 26 5 25 16 21 ORDER 24 1 1 1 1 1 1 CONECT 25 23 26 19 14 24 16 ORDER 25 1 1 1 1 1 1 CONECT 26 20 18 23 19 25 24 ORDER 26 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1189454.93 END BIOGRF 200 DESCRP S_1403 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -1.54014 -0.00738 0.02799 0 1 0 0.00000 HETATM 2 Ag -4.14073 -0.73073 0.20357 0 1 0 0.00000 HETATM 3 Ag -2.24723 -1.40861 -2.27075 0 1 0 0.00000 HETATM 4 Ag -3.63889 1.98740 0.71722 0 1 0 0.00000 HETATM 5 Ag -1.09692 2.31368 1.93759 0 1 0 0.00000 HETATM 6 Ag -3.34777 1.08530 -1.86945 0 1 0 0.00000 HETATM 7 Ag 0.70869 1.53234 -0.04084 0 1 0 0.00000 HETATM 8 Ag -2.85949 0.19519 2.60651 0 1 0 0.00000 HETATM 9 Ag 1.89937 1.98758 2.28307 0 1 0 0.00000 HETATM 10 Ag -0.07759 -0.24571 2.38388 0 1 0 0.00000 HETATM 11 Ag -2.01831 -2.25090 1.70606 0 1 0 0.00000 HETATM 12 Ag -3.42374 -3.22819 -0.51551 0 1 0 0.00000 HETATM 13 Ag -0.71580 -2.94980 -0.57951 0 1 0 0.00000 HETATM 14 Ag 0.70035 -1.58431 -2.62013 0 1 0 0.00000 HETATM 15 Ag -1.55066 2.98338 -0.79323 0 1 0 0.00000 HETATM 16 Ag -0.56769 0.91719 -2.49190 0 1 0 0.00000 HETATM 17 Ag 2.27086 0.88001 -2.18013 0 1 0 0.00000 HETATM 18 Ag 1.26861 -1.07074 -0.00433 0 1 0 0.00000 HETATM 19 Ag 0.63235 4.15764 0.68582 0 1 0 0.00000 HETATM 20 Ag 2.99816 3.04833 -0.25940 0 1 0 0.00000 HETATM 21 Ag 3.53309 0.42360 0.36855 0 1 0 0.00000 HETATM 22 Ag 3.44499 -1.56293 -1.74009 0 1 0 0.00000 HETATM 23 Ag 0.85386 -2.96768 1.84339 0 1 0 0.00000 HETATM 24 Ag 2.55315 -0.73983 2.69509 0 1 0 0.00000 HETATM 25 Ag 1.88105 -3.68195 -0.89495 0 1 0 0.00000 HETATM 26 Ag 3.57371 -2.46553 0.88213 0 1 0 0.00000 HETATM 27 Ag 0.90672 3.38263 -2.08064 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 3 6 7 2 11 10 ORDER 1 1 1 1 1 1 1 CONECT 2 6 12 1 4 8 ORDER 2 1 1 1 1 1 CONECT 3 16 6 13 12 1 ORDER 3 1 1 1 1 1 CONECT 4 6 15 2 5 8 ORDER 4 1 1 1 1 1 CONECT 5 15 19 4 10 8 ORDER 5 1 1 1 1 1 CONECT 6 16 3 15 1 2 4 ORDER 6 1 1 1 1 1 1 CONECT 7 17 20 18 1 19 9 ORDER 7 1 1 1 1 1 1 CONECT 8 2 4 11 5 10 ORDER 8 1 1 1 1 1 CONECT 9 20 7 19 24 ORDER 9 1 1 1 1 CONECT 10 1 11 5 8 24 ORDER 10 1 1 1 1 1 CONECT 11 13 12 1 23 10 8 ORDER 11 1 1 1 1 1 1 CONECT 12 3 13 2 11 ORDER 12 1 1 1 1 CONECT 13 14 3 25 12 18 11 ORDER 13 1 1 1 1 1 1 CONECT 14 16 17 22 25 13 18 ORDER 14 1 1 1 1 1 1 CONECT 15 16 27 6 19 4 5 ORDER 15 1 1 1 1 1 1 CONECT 16 14 3 17 27 6 15 ORDER 16 1 1 1 1 1 1 CONECT 17 14 16 27 22 7 21 ORDER 17 1 1 1 1 1 1 CONECT 18 14 25 13 7 21 23 ORDER 18 1 1 1 1 1 1 CONECT 19 27 15 20 7 5 9 ORDER 19 1 1 1 1 1 1 CONECT 20 27 7 21 19 9 ORDER 20 1 1 1 1 1 CONECT 21 17 22 20 18 26 24 ORDER 21 1 1 1 1 1 1 CONECT 22 14 17 25 21 26 ORDER 22 1 1 1 1 1 CONECT 23 25 18 26 11 24 ORDER 23 1 1 1 1 1 CONECT 24 21 26 23 9 10 ORDER 24 1 1 1 1 1 CONECT 25 14 22 13 18 26 23 ORDER 25 1 1 1 1 1 1 CONECT 26 22 25 21 23 24 ORDER 26 1 1 1 1 1 CONECT 27 16 17 15 20 19 ORDER 27 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1235196.33 END BIOGRF 200 DESCRP S_1505 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -1.05240 -1.21461 -0.47726 0 1 0 0.00000 HETATM 2 Ag -3.62546 -2.08307 -0.26675 0 1 0 0.00000 HETATM 3 Ag -2.83610 0.34133 -1.76451 0 1 0 0.00000 HETATM 4 Ag -0.46359 -0.29532 -3.31225 0 1 0 0.00000 HETATM 5 Ag 1.12601 0.27190 -1.21188 0 1 0 0.00000 HETATM 6 Ag -2.16884 -2.40582 -2.65751 0 1 0 0.00000 HETATM 7 Ag 1.64164 1.78974 -3.41407 0 1 0 0.00000 HETATM 8 Ag 3.70985 1.00261 -1.66918 0 1 0 0.00000 HETATM 9 Ag -0.81660 2.37495 -2.22850 0 1 0 0.00000 HETATM 10 Ag 2.42794 -0.91356 -3.29005 0 1 0 0.00000 HETATM 11 Ag 0.69298 -2.64269 -1.95182 0 1 0 0.00000 HETATM 12 Ag 2.93239 -1.57406 -0.44423 0 1 0 0.00000 HETATM 13 Ag 0.87416 -3.11219 0.90764 0 1 0 0.00000 HETATM 14 Ag -3.13700 0.26056 1.16835 0 1 0 0.00000 HETATM 15 Ag -1.47656 -3.90322 -0.37273 0 1 0 0.00000 HETATM 16 Ag 3.04076 0.97213 1.04038 0 1 0 0.00000 HETATM 17 Ag 3.03881 -1.68257 2.34289 0 1 0 0.00000 HETATM 18 Ag 0.79068 -0.46504 1.40318 0 1 0 0.00000 HETATM 19 Ag 1.86885 0.48063 3.71892 0 1 0 0.00000 HETATM 20 Ag 0.80578 2.49170 2.10133 0 1 0 0.00000 HETATM 21 Ag -1.03518 0.44634 3.16274 0 1 0 0.00000 HETATM 22 Ag 0.55517 -2.01107 3.63335 0 1 0 0.00000 HETATM 23 Ag -0.86433 1.40777 0.28587 0 1 0 0.00000 HETATM 24 Ag 1.63203 2.85966 -0.65754 0 1 0 0.00000 HETATM 25 Ag -1.68963 -2.12241 1.97831 0 1 0 0.00000 HETATM 26 Ag -2.12793 2.83880 2.22873 0 1 0 0.00000 HETATM 27 Ag -3.12320 2.76302 -0.40674 0 1 0 0.00000 HETATM 28 Ag -0.72023 4.12450 0.15335 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 6 11 3 15 2 25 ORDER 1 1 1 1 1 1 1 CONECT 2 6 3 1 15 14 ORDER 2 1 1 1 1 1 CONECT 3 4 9 1 27 2 14 ORDER 3 1 1 1 1 1 1 CONECT 4 10 6 9 11 3 5 ORDER 4 1 1 1 1 1 1 CONECT 5 7 4 10 8 24 12 ORDER 5 1 1 1 1 1 1 CONECT 6 4 11 1 15 2 ORDER 6 1 1 1 1 1 CONECT 7 10 9 8 5 24 ORDER 7 1 1 1 1 1 CONECT 8 7 10 5 12 16 ORDER 8 1 1 1 1 1 CONECT 9 7 4 3 24 28 23 ORDER 9 1 1 1 1 1 1 CONECT 10 7 4 11 8 5 ORDER 10 1 1 1 1 1 CONECT 11 4 10 6 1 12 13 ORDER 11 1 1 1 1 1 1 CONECT 12 11 8 5 13 16 17 ORDER 12 1 1 1 1 1 1 CONECT 13 11 12 15 18 25 22 ORDER 13 1 1 1 1 1 1 CONECT 14 3 27 2 23 25 21 ORDER 14 1 1 1 1 1 1 CONECT 15 6 1 2 13 25 ORDER 15 1 1 1 1 1 CONECT 16 8 24 12 18 20 17 ORDER 16 1 1 1 1 1 1 CONECT 17 12 16 18 22 19 ORDER 17 1 1 1 1 1 CONECT 18 13 16 17 21 22 19 ORDER 18 1 1 1 1 1 1 CONECT 19 18 20 17 21 22 ORDER 19 1 1 1 1 1 CONECT 20 24 23 16 26 21 19 ORDER 20 1 1 1 1 1 1 CONECT 21 14 18 25 20 26 19 ORDER 21 1 1 1 1 1 1 CONECT 22 13 18 25 17 19 ORDER 22 1 1 1 1 1 CONECT 23 9 27 28 14 20 26 ORDER 23 1 1 1 1 1 1 CONECT 24 7 9 5 28 16 20 ORDER 24 1 1 1 1 1 1 CONECT 25 1 15 13 14 21 22 ORDER 25 1 1 1 1 1 1 CONECT 26 27 28 23 20 21 ORDER 26 1 1 1 1 1 CONECT 27 3 28 23 14 26 ORDER 27 1 1 1 1 1 CONECT 28 9 24 27 23 26 ORDER 28 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1280944.32 END BIOGRF 200 DESCRP S_1595 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 2.21035 2.72490 0 1 0 0.00000 HETATM 2 Ag 1.35242 3.95820 0.74603 0 1 0 0.00000 HETATM 3 Ag 0.00002 3.66516 -1.68493 0 1 0 0.00000 HETATM 4 Ag -2.33043 2.29898 -1.38223 0 1 0 0.00000 HETATM 5 Ag -2.20087 -0.18531 -0.26637 0 1 0 0.00000 HETATM 6 Ag -4.18133 -1.88656 -1.05446 0 1 0 0.00000 HETATM 7 Ag -2.83430 1.81674 1.47246 0 1 0 0.00000 HETATM 8 Ag -4.65559 0.87615 -0.71119 0 1 0 0.00000 HETATM 9 Ag -2.88756 -0.09478 -2.85610 0 1 0 0.00000 HETATM 10 Ag -1.46860 -2.40317 -1.85792 0 1 0 0.00000 HETATM 11 Ag -4.15831 -0.71309 1.57001 0 1 0 0.00000 HETATM 12 Ag -0.00001 0.11976 -2.19091 0 1 0 0.00000 HETATM 13 Ag 0.00004 1.50480 0.19468 0 1 0 0.00000 HETATM 14 Ag -1.35242 3.95818 0.74606 0 1 0 0.00000 HETATM 15 Ag 2.83428 1.81672 1.47245 0 1 0 0.00000 HETATM 16 Ag -0.00000 -1.46448 0.31038 0 1 0 0.00000 HETATM 17 Ag 2.20084 -0.18532 -0.26638 0 1 0 0.00000 HETATM 18 Ag 2.34678 -2.78588 0.93276 0 1 0 0.00000 HETATM 19 Ag -1.41126 -0.37342 2.46105 0 1 0 0.00000 HETATM 20 Ag -2.34672 -2.78580 0.93276 0 1 0 0.00000 HETATM 21 Ag 1.41128 -0.37335 2.46109 0 1 0 0.00000 HETATM 22 Ag -0.00002 -2.91800 2.58117 0 1 0 0.00000 HETATM 23 Ag -0.00002 -4.13345 -0.04339 0 1 0 0.00000 HETATM 24 Ag 4.15832 -0.71305 1.57005 0 1 0 0.00000 HETATM 25 Ag 1.46863 -2.40320 -1.85791 0 1 0 0.00000 HETATM 26 Ag 4.18127 -1.88656 -1.05451 0 1 0 0.00000 HETATM 27 Ag 2.88757 -0.09478 -2.85607 0 1 0 0.00000 HETATM 28 Ag 4.65562 0.87615 -0.71120 0 1 0 0.00000 HETATM 29 Ag 2.33036 2.29899 -1.38225 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 13 2 14 19 21 ORDER 1 1 1 1 1 1 CONECT 2 3 29 13 14 15 1 ORDER 2 1 1 1 1 1 1 CONECT 3 29 4 13 2 14 ORDER 3 1 1 1 1 1 CONECT 4 9 3 8 5 14 ORDER 4 1 1 1 1 1 CONECT 5 9 4 6 8 16 7 ORDER 5 1 1 1 1 1 1 CONECT 6 9 10 8 5 20 11 ORDER 6 1 1 1 1 1 1 CONECT 7 8 5 14 11 19 ORDER 7 1 1 1 1 1 CONECT 8 9 4 6 5 7 11 ORDER 8 1 1 1 1 1 1 CONECT 9 12 10 4 6 8 5 ORDER 9 1 1 1 1 1 1 CONECT 10 9 12 25 6 23 ORDER 10 1 1 1 1 1 CONECT 11 6 8 20 7 19 ORDER 11 1 1 1 1 1 CONECT 12 9 10 25 13 ORDER 12 1 1 1 1 CONECT 13 12 3 2 14 1 ORDER 13 1 1 1 1 1 CONECT 14 3 4 13 2 7 1 ORDER 14 1 1 1 1 1 1 CONECT 15 29 28 17 2 24 21 ORDER 15 1 1 1 1 1 1 CONECT 16 17 5 23 20 18 22 ORDER 16 1 1 1 1 1 1 CONECT 17 27 29 26 28 16 15 ORDER 17 1 1 1 1 1 1 CONECT 18 25 26 23 16 24 22 ORDER 18 1 1 1 1 1 1 CONECT 19 20 7 11 21 22 1 ORDER 19 1 1 1 1 1 1 CONECT 20 6 23 16 11 19 22 ORDER 20 1 1 1 1 1 1 CONECT 21 15 24 19 22 1 ORDER 21 1 1 1 1 1 CONECT 22 23 16 20 18 19 21 ORDER 22 1 1 1 1 1 1 CONECT 23 10 25 16 20 18 22 ORDER 23 1 1 1 1 1 1 CONECT 24 26 28 18 15 21 ORDER 24 1 1 1 1 1 CONECT 25 27 12 10 26 23 18 ORDER 25 1 1 1 1 1 1 CONECT 26 27 25 28 17 18 24 ORDER 26 1 1 1 1 1 1 CONECT 27 25 29 26 28 17 ORDER 27 1 1 1 1 1 CONECT 28 27 29 26 17 15 24 ORDER 28 1 1 1 1 1 1 CONECT 29 27 3 28 17 2 15 ORDER 29 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1326700.78 END BIOGRF 200 DESCRP S_1688 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.20716 -3.86576 1.21271 0 1 0 0.00000 HETATM 2 Ag 3.41185 -2.78487 -0.02570 0 1 0 0.00000 HETATM 3 Ag 1.32564 -3.83158 -1.59396 0 1 0 0.00000 HETATM 4 Ag 2.10664 -1.40987 2.15700 0 1 0 0.00000 HETATM 5 Ag 2.10537 1.41159 2.15703 0 1 0 0.00000 HETATM 6 Ag 0.94387 1.41084 -0.42355 0 1 0 0.00000 HETATM 7 Ag 0.94506 -1.41010 -0.42356 0 1 0 0.00000 HETATM 8 Ag 3.40944 2.78783 -0.02566 0 1 0 0.00000 HETATM 9 Ag 2.83696 -1.45652 -2.41735 0 1 0 0.00000 HETATM 10 Ag -0.79801 2.31920 -2.60525 0 1 0 0.00000 HETATM 11 Ag 1.32230 3.83270 -1.59389 0 1 0 0.00000 HETATM 12 Ag 1.20387 3.86669 1.21279 0 1 0 0.00000 HETATM 13 Ag 2.83581 1.45894 -2.41730 0 1 0 0.00000 HETATM 14 Ag 0.53006 0.00036 -2.93048 0 1 0 0.00000 HETATM 15 Ag 3.37369 0.00146 -0.02070 0 1 0 0.00000 HETATM 16 Ag -0.79593 -2.31971 -2.60530 0 1 0 0.00000 HETATM 17 Ag -3.28687 -2.11288 -1.49868 0 1 0 0.00000 HETATM 18 Ag -1.56356 -0.00066 -0.82263 0 1 0 0.00000 HETATM 19 Ag -3.28867 2.11006 -1.49852 0 1 0 0.00000 HETATM 20 Ag -1.15666 -3.11328 0.04527 0 1 0 0.00000 HETATM 21 Ag -4.51895 -0.00192 -0.37746 0 1 0 0.00000 HETATM 22 Ag -0.32867 -0.00008 1.57261 0 1 0 0.00000 HETATM 23 Ag -1.15939 3.11229 0.04541 0 1 0 0.00000 HETATM 24 Ag -0.55131 -2.36876 2.83078 0 1 0 0.00000 HETATM 25 Ag -2.85397 1.40351 1.36112 0 1 0 0.00000 HETATM 26 Ag -2.07728 -0.00094 3.68959 0 1 0 0.00000 HETATM 27 Ag -0.55344 2.36819 2.83086 0 1 0 0.00000 HETATM 28 Ag 0.64423 0.00020 4.13199 0 1 0 0.00000 HETATM 29 Ag -2.85268 -1.40597 1.36106 0 1 0 0.00000 HETATM 30 Ag -2.41656 -0.00097 -3.32820 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 3 2 20 4 24 ORDER 1 1 1 1 1 1 CONECT 2 9 3 15 1 ORDER 2 1 1 1 1 CONECT 3 16 9 7 2 1 ORDER 3 1 1 1 1 1 CONECT 4 7 15 1 5 28 ORDER 4 1 1 1 1 1 CONECT 5 6 15 12 4 28 ORDER 5 1 1 1 1 1 CONECT 6 13 11 7 23 22 5 ORDER 6 1 1 1 1 1 1 CONECT 7 9 3 6 20 4 ORDER 7 1 1 1 1 1 CONECT 8 13 11 15 12 ORDER 8 1 1 1 1 CONECT 9 14 13 3 7 2 15 ORDER 9 1 1 1 1 1 1 CONECT 10 30 14 11 19 23 ORDER 10 1 1 1 1 1 CONECT 11 10 13 6 8 12 ORDER 11 1 1 1 1 1 CONECT 12 11 8 23 5 27 ORDER 12 1 1 1 1 1 CONECT 13 14 9 11 6 8 15 ORDER 13 1 1 1 1 1 1 CONECT 14 30 16 10 9 13 ORDER 14 1 1 1 1 1 CONECT 15 9 13 2 8 4 5 ORDER 15 1 1 1 1 1 1 CONECT 16 30 14 3 17 20 ORDER 16 1 1 1 1 1 CONECT 17 30 16 18 21 20 ORDER 17 1 1 1 1 1 CONECT 18 30 17 19 29 25 22 ORDER 18 1 1 1 1 1 1 CONECT 19 30 10 18 21 23 ORDER 19 1 1 1 1 1 CONECT 20 16 17 7 1 29 24 ORDER 20 1 1 1 1 1 1 CONECT 21 17 19 29 25 ORDER 21 1 1 1 1 CONECT 22 18 6 24 27 26 28 ORDER 22 1 1 1 1 1 1 CONECT 23 10 19 6 12 25 27 ORDER 23 1 1 1 1 1 1 CONECT 24 20 1 29 22 26 28 ORDER 24 1 1 1 1 1 1 CONECT 25 18 21 23 29 27 26 ORDER 25 1 1 1 1 1 1 CONECT 26 29 25 22 24 27 28 ORDER 26 1 1 1 1 1 1 CONECT 27 23 12 25 22 26 28 ORDER 27 1 1 1 1 1 1 CONECT 28 22 4 5 24 27 26 ORDER 28 1 1 1 1 1 1 CONECT 29 18 21 20 25 24 26 ORDER 29 1 1 1 1 1 1 CONECT 30 14 16 10 17 19 18 ORDER 30 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1372451.28 END BIOGRF 200 DESCRP S_1784 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.48238 1.38498 -0.84695 0 1 0 0.00000 HETATM 2 Ag -0.62262 4.06687 -0.74826 0 1 0 0.00000 HETATM 3 Ag 2.68418 1.72157 -2.74087 0 1 0 0.00000 HETATM 4 Ag -0.04967 2.50745 -3.17414 0 1 0 0.00000 HETATM 5 Ag 1.99377 3.83703 -1.24448 0 1 0 0.00000 HETATM 6 Ag 3.10808 1.61744 0.08859 0 1 0 0.00000 HETATM 7 Ag -1.51559 2.39534 1.32536 0 1 0 0.00000 HETATM 8 Ag 1.09110 -0.38175 -3.36902 0 1 0 0.00000 HETATM 9 Ag -1.82509 -0.00095 -0.00034 0 1 0 0.00000 HETATM 10 Ag -2.46824 2.24005 -1.49832 0 1 0 0.00000 HETATM 11 Ag -0.61864 -2.68185 -3.14823 0 1 0 0.00000 HETATM 12 Ag -1.51328 -0.05070 -2.73823 0 1 0 0.00000 HETATM 13 Ag -4.10296 1.45128 0.71044 0 1 0 0.00000 HETATM 14 Ag -4.10156 -0.11251 -1.61537 0 1 0 0.00000 HETATM 15 Ag -2.46607 -2.41887 -1.19267 0 1 0 0.00000 HETATM 16 Ag 1.08817 3.10955 1.35392 0 1 0 0.00000 HETATM 17 Ag -0.05079 1.49524 3.75842 0 1 0 0.00000 HETATM 18 Ag 2.68304 1.51533 2.86116 0 1 0 0.00000 HETATM 19 Ag 0.48262 0.04154 1.62278 0 1 0 0.00000 HETATM 20 Ag -0.62095 -1.38580 3.89612 0 1 0 0.00000 HETATM 21 Ag 3.10919 -0.88262 1.35628 0 1 0 0.00000 HETATM 22 Ag 0.48398 -1.42556 -0.77544 0 1 0 0.00000 HETATM 23 Ag 1.99496 -0.83896 3.94497 0 1 0 0.00000 HETATM 24 Ag 1.09095 -2.72628 2.01582 0 1 0 0.00000 HETATM 25 Ag -2.46833 0.17523 2.68932 0 1 0 0.00000 HETATM 26 Ag 3.10983 -0.73040 -1.44282 0 1 0 0.00000 HETATM 27 Ag -1.51333 -2.34692 1.41195 0 1 0 0.00000 HETATM 28 Ag -4.10166 -1.34482 0.90187 0 1 0 0.00000 HETATM 29 Ag 1.99755 -2.99530 -2.69916 0 1 0 0.00000 HETATM 30 Ag 2.68604 -3.23303 -0.11839 0 1 0 0.00000 HETATM 31 Ag -0.04703 -4.00257 -0.58432 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 4 22 6 16 19 ORDER 1 1 1 1 1 1 CONECT 2 4 10 5 7 16 ORDER 2 1 1 1 1 1 CONECT 3 8 4 26 5 ORDER 3 1 1 1 1 CONECT 4 3 12 10 5 1 2 ORDER 4 1 1 1 1 1 1 CONECT 5 4 3 2 6 16 ORDER 5 1 1 1 1 1 CONECT 6 26 5 1 16 21 18 ORDER 6 1 1 1 1 1 1 CONECT 7 2 9 13 16 25 17 ORDER 7 1 1 1 1 1 1 CONECT 8 11 3 12 29 26 22 ORDER 8 1 1 1 1 1 1 CONECT 9 12 10 15 7 27 25 ORDER 9 1 1 1 1 1 1 CONECT 10 4 12 14 2 9 13 ORDER 10 1 1 1 1 1 1 CONECT 11 8 12 29 15 22 31 ORDER 11 1 1 1 1 1 1 CONECT 12 8 4 11 14 10 9 ORDER 12 1 1 1 1 1 1 CONECT 13 14 10 28 7 25 ORDER 13 1 1 1 1 1 CONECT 14 12 10 15 13 28 ORDER 14 1 1 1 1 1 CONECT 15 11 14 31 9 28 27 ORDER 15 1 1 1 1 1 1 CONECT 16 5 1 2 6 7 18 ORDER 16 1 1 1 1 1 1 CONECT 17 7 19 25 18 20 23 ORDER 17 1 1 1 1 1 1 CONECT 18 6 16 17 23 ORDER 18 1 1 1 1 CONECT 19 1 22 21 24 17 20 ORDER 19 1 1 1 1 1 1 CONECT 20 27 19 24 25 17 23 ORDER 20 1 1 1 1 1 1 CONECT 21 26 30 6 19 24 23 ORDER 21 1 1 1 1 1 1 CONECT 22 8 11 26 1 31 19 ORDER 22 1 1 1 1 1 1 CONECT 23 21 24 18 17 20 ORDER 23 1 1 1 1 1 CONECT 24 30 21 27 19 20 23 ORDER 24 1 1 1 1 1 1 CONECT 25 9 13 28 7 17 20 ORDER 25 1 1 1 1 1 1 CONECT 26 8 3 29 22 6 21 ORDER 26 1 1 1 1 1 1 CONECT 27 15 31 9 28 24 20 ORDER 27 1 1 1 1 1 1 CONECT 28 14 15 13 27 25 ORDER 28 1 1 1 1 1 CONECT 29 8 11 26 31 30 ORDER 29 1 1 1 1 1 CONECT 30 29 31 21 24 ORDER 30 1 1 1 1 CONECT 31 11 29 15 22 30 27 ORDER 31 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1418200.84 END BIOGRF 200 DESCRP S_1883 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -1.45570 -2.36631 1.66391 0 1 0 0.00000 HETATM 2 Ag 0.00001 -0.00003 -3.13117 0 1 0 0.00000 HETATM 3 Ag -0.00001 -1.42646 -0.68206 0 1 0 0.00000 HETATM 4 Ag -1.45209 -3.73967 -0.81514 0 1 0 0.00000 HETATM 5 Ag -4.60454 0.00005 -1.35890 0 1 0 0.00000 HETATM 6 Ag -2.33756 1.44413 -2.28380 0 1 0 0.00000 HETATM 7 Ag -4.66404 -0.00005 1.43121 0 1 0 0.00000 HETATM 8 Ag -2.26412 0.00003 0.16275 0 1 0 0.00000 HETATM 9 Ag 0.00002 2.85620 -3.06713 0 1 0 0.00000 HETATM 10 Ag -3.75250 2.31132 0.02681 0 1 0 0.00000 HETATM 11 Ag -3.75254 -2.31121 0.02669 0 1 0 0.00000 HETATM 12 Ag -1.45206 3.73973 -0.81513 0 1 0 0.00000 HETATM 13 Ag -1.45539 2.36644 1.66392 0 1 0 0.00000 HETATM 14 Ag -2.37097 0.00011 3.06089 0 1 0 0.00000 HETATM 15 Ag -2.33753 -1.44409 -2.28387 0 1 0 0.00000 HETATM 16 Ag 2.26412 -0.00002 0.16282 0 1 0 0.00000 HETATM 17 Ag 3.75248 -2.31125 0.02688 0 1 0 0.00000 HETATM 18 Ag 4.60455 -0.00007 -1.35889 0 1 0 0.00000 HETATM 19 Ag 1.45200 -3.73974 -0.81517 0 1 0 0.00000 HETATM 20 Ag 3.75258 2.31130 0.02671 0 1 0 0.00000 HETATM 21 Ag 2.33756 1.44415 -2.28380 0 1 0 0.00000 HETATM 22 Ag 0.00003 -2.85620 -3.06722 0 1 0 0.00000 HETATM 23 Ag 2.33759 -1.44415 -2.28381 0 1 0 0.00000 HETATM 24 Ag -0.00003 1.42654 -0.68212 0 1 0 0.00000 HETATM 25 Ag 1.45210 3.73972 -0.81510 0 1 0 0.00000 HETATM 26 Ag 0.00000 -0.00005 1.70101 0 1 0 0.00000 HETATM 27 Ag 0.00001 1.42034 3.98491 0 1 0 0.00000 HETATM 28 Ag 1.45566 2.36629 1.66392 0 1 0 0.00000 HETATM 29 Ag 4.66406 -0.00004 1.43119 0 1 0 0.00000 HETATM 30 Ag 1.45544 -2.36650 1.66386 0 1 0 0.00000 HETATM 31 Ag -0.00007 -1.42039 3.98489 0 1 0 0.00000 HETATM 32 Ag 2.37093 -0.00013 3.06095 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 4 11 30 14 31 ORDER 1 1 1 1 1 1 CONECT 2 22 9 15 21 ORDER 2 1 1 1 1 CONECT 3 22 19 4 8 16 ORDER 3 1 1 1 1 1 CONECT 4 22 15 19 3 11 1 ORDER 4 1 1 1 1 1 1 CONECT 5 15 6 11 10 8 7 ORDER 5 1 1 1 1 1 1 CONECT 6 9 5 12 24 10 ORDER 6 1 1 1 1 1 CONECT 7 5 11 10 8 14 ORDER 7 1 1 1 1 1 CONECT 8 5 3 11 10 7 26 ORDER 8 1 1 1 1 1 1 CONECT 9 2 21 6 12 25 24 ORDER 9 1 1 1 1 1 1 CONECT 10 6 5 12 8 7 13 ORDER 10 1 1 1 1 1 1 CONECT 11 15 5 4 8 7 1 ORDER 11 1 1 1 1 1 1 CONECT 12 9 6 25 24 10 13 ORDER 12 1 1 1 1 1 1 CONECT 13 12 10 28 14 27 ORDER 13 1 1 1 1 1 CONECT 14 7 1 13 26 31 27 ORDER 14 1 1 1 1 1 1 CONECT 15 2 22 5 4 11 ORDER 15 1 1 1 1 1 CONECT 16 18 3 20 17 29 26 ORDER 16 1 1 1 1 1 1 CONECT 17 23 18 19 16 29 30 ORDER 17 1 1 1 1 1 1 CONECT 18 23 21 20 17 16 29 ORDER 18 1 1 1 1 1 1 CONECT 19 22 23 4 3 17 30 ORDER 19 1 1 1 1 1 1 CONECT 20 21 18 25 16 29 28 ORDER 20 1 1 1 1 1 1 CONECT 21 2 9 18 25 24 20 ORDER 21 1 1 1 1 1 1 CONECT 22 2 15 23 19 4 3 ORDER 22 1 1 1 1 1 1 CONECT 23 22 18 19 17 ORDER 23 1 1 1 1 CONECT 24 9 21 6 12 25 ORDER 24 1 1 1 1 1 CONECT 25 9 21 12 24 20 28 ORDER 25 1 1 1 1 1 1 CONECT 26 8 16 14 32 31 27 ORDER 26 1 1 1 1 1 1 CONECT 27 28 13 26 14 32 31 ORDER 27 1 1 1 1 1 1 CONECT 28 25 20 13 32 27 ORDER 28 1 1 1 1 1 CONECT 29 18 20 17 16 32 ORDER 29 1 1 1 1 1 CONECT 30 19 17 1 32 31 ORDER 30 1 1 1 1 1 CONECT 31 30 1 26 14 32 27 ORDER 31 1 1 1 1 1 1 CONECT 32 29 30 28 26 31 27 ORDER 32 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1463958.24 END BIOGRF 200 DESCRP S_1985 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.38710 2.13056 2.05735 0 1 0 0.00000 HETATM 2 Ag 2.32954 3.09321 -0.63483 0 1 0 0.00000 HETATM 3 Ag 2.24932 0.28935 0.03096 0 1 0 0.00000 HETATM 4 Ag 4.10376 1.95288 1.24439 0 1 0 0.00000 HETATM 5 Ag 1.40510 -3.43565 -1.63121 0 1 0 0.00000 HETATM 6 Ag 3.31858 -1.36535 -1.85119 0 1 0 0.00000 HETATM 7 Ag 0.00018 -3.41668 0.85561 0 1 0 0.00000 HETATM 8 Ag 2.79715 -0.17705 2.68458 0 1 0 0.00000 HETATM 9 Ag -0.00001 -0.67213 1.43627 0 1 0 0.00000 HETATM 10 Ag 1.33751 -2.39642 3.26177 0 1 0 0.00000 HETATM 11 Ag -1.33746 -2.39662 3.26165 0 1 0 0.00000 HETATM 12 Ag -0.00015 0.21134 3.89812 0 1 0 0.00000 HETATM 13 Ag 4.27753 1.26627 -1.52516 0 1 0 0.00000 HETATM 14 Ag 2.52861 -2.34142 0.73040 0 1 0 0.00000 HETATM 15 Ag 1.34859 -1.56383 -3.72700 0 1 0 0.00000 HETATM 16 Ag 4.77662 -0.65053 0.53269 0 1 0 0.00000 HETATM 17 Ag 0.00003 -1.07753 -1.29339 0 1 0 0.00000 HETATM 18 Ag -1.40454 -3.43573 -1.63150 0 1 0 0.00000 HETATM 19 Ag -2.79725 -0.17740 2.68448 0 1 0 0.00000 HETATM 20 Ag -1.38744 2.13036 2.05734 0 1 0 0.00000 HETATM 21 Ag -0.00010 1.63725 -0.32773 0 1 0 0.00000 HETATM 22 Ag -2.24938 0.28925 0.03105 0 1 0 0.00000 HETATM 23 Ag -1.54106 1.01557 -2.59667 0 1 0 0.00000 HETATM 24 Ag -0.00020 4.20053 0.55302 0 1 0 0.00000 HETATM 25 Ag 1.54094 1.01566 -2.59663 0 1 0 0.00000 HETATM 26 Ag -0.00019 3.48467 -2.27281 0 1 0 0.00000 HETATM 27 Ag -1.34817 -1.56387 -3.72717 0 1 0 0.00000 HETATM 28 Ag -2.32983 3.09303 -0.63479 0 1 0 0.00000 HETATM 29 Ag -4.27769 1.26598 -1.52522 0 1 0 0.00000 HETATM 30 Ag -4.10405 1.95250 1.24444 0 1 0 0.00000 HETATM 31 Ag -3.31822 -1.36552 -1.85139 0 1 0 0.00000 HETATM 32 Ag -4.77652 -0.65105 0.53248 0 1 0 0.00000 HETATM 33 Ag -2.52829 -2.34162 0.73009 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 24 4 20 8 ORDER 1 1 1 1 1 CONECT 2 26 13 21 24 4 ORDER 2 1 1 1 1 1 CONECT 3 6 13 21 16 14 8 ORDER 3 1 1 1 1 1 1 CONECT 4 13 2 16 1 8 ORDER 4 1 1 1 1 1 CONECT 5 15 6 18 17 14 7 ORDER 5 1 1 1 1 1 1 CONECT 6 15 5 13 3 16 14 ORDER 6 1 1 1 1 1 1 CONECT 7 18 5 33 14 9 11 ORDER 7 1 1 1 1 1 1 CONECT 8 3 16 4 1 10 ORDER 8 1 1 1 1 1 CONECT 9 17 7 11 10 12 ORDER 9 1 1 1 1 1 CONECT 10 14 9 8 11 12 ORDER 10 1 1 1 1 1 CONECT 11 33 7 9 19 10 12 ORDER 11 1 1 1 1 1 1 CONECT 12 9 11 10 ORDER 12 1 1 1 CONECT 13 25 6 2 3 16 4 ORDER 13 1 1 1 1 1 1 CONECT 14 6 5 3 16 7 10 ORDER 14 1 1 1 1 1 1 CONECT 15 27 25 6 5 17 ORDER 15 1 1 1 1 1 CONECT 16 6 13 3 14 4 8 ORDER 16 1 1 1 1 1 1 CONECT 17 27 15 18 5 9 ORDER 17 1 1 1 1 1 CONECT 18 27 31 5 17 33 7 ORDER 18 1 1 1 1 1 1 CONECT 19 22 32 30 20 11 ORDER 19 1 1 1 1 1 CONECT 20 24 30 1 19 ORDER 20 1 1 1 1 CONECT 21 26 2 28 3 22 24 ORDER 21 1 1 1 1 1 1 CONECT 22 31 29 21 32 33 19 ORDER 22 1 1 1 1 1 1 CONECT 23 27 25 26 29 28 ORDER 23 1 1 1 1 1 CONECT 24 26 2 28 21 20 1 ORDER 24 1 1 1 1 1 1 CONECT 25 15 23 26 13 ORDER 25 1 1 1 1 CONECT 26 23 25 2 28 21 24 ORDER 26 1 1 1 1 1 1 CONECT 27 15 23 31 18 17 ORDER 27 1 1 1 1 1 CONECT 28 23 26 29 21 24 30 ORDER 28 1 1 1 1 1 1 CONECT 29 23 31 28 22 32 30 ORDER 29 1 1 1 1 1 1 CONECT 30 29 28 32 20 19 ORDER 30 1 1 1 1 1 CONECT 31 27 18 29 22 32 33 ORDER 31 1 1 1 1 1 1 CONECT 32 31 29 22 33 30 19 ORDER 32 1 1 1 1 1 1 CONECT 33 31 18 22 32 7 11 ORDER 33 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1509709.99 END BIOGRF 200 DESCRP S_2090 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.06173 -3.15909 -0.35983 0 1 0 0.00000 HETATM 2 Ag 3.03869 -1.34269 0.50382 0 1 0 0.00000 HETATM 3 Ag 3.01745 -2.27574 -2.17688 0 1 0 0.00000 HETATM 4 Ag 0.96998 -0.49143 -1.31049 0 1 0 0.00000 HETATM 5 Ag 3.03871 1.34263 -0.50361 0 1 0 0.00000 HETATM 6 Ag -0.72175 -4.12099 1.52018 0 1 0 0.00000 HETATM 7 Ag -1.57126 -3.60975 -1.18403 0 1 0 0.00000 HETATM 8 Ag 2.97463 0.30255 -3.14210 0 1 0 0.00000 HETATM 9 Ag 0.99143 -2.13381 2.30810 0 1 0 0.00000 HETATM 10 Ag 4.96019 0.47708 1.32208 0 1 0 0.00000 HETATM 11 Ag 0.96993 0.49142 1.31051 0 1 0 0.00000 HETATM 12 Ag 3.01738 2.27565 2.17709 0 1 0 0.00000 HETATM 13 Ag 2.97437 -0.30274 3.14232 0 1 0 0.00000 HETATM 14 Ag 0.38150 -2.62813 -3.04114 0 1 0 0.00000 HETATM 15 Ag 4.96026 -0.47730 -1.32180 0 1 0 0.00000 HETATM 16 Ag 0.31731 0.03336 -4.01302 0 1 0 0.00000 HETATM 17 Ag -1.66540 -0.88462 -2.29721 0 1 0 0.00000 HETATM 18 Ag -1.14360 1.39363 -0.43050 0 1 0 0.00000 HETATM 19 Ag -1.14387 -1.39358 0.43040 0 1 0 0.00000 HETATM 20 Ag -3.88471 2.08914 1.14716 0 1 0 0.00000 HETATM 21 Ag 0.99176 2.13386 -2.30808 0 1 0 0.00000 HETATM 22 Ag -1.72982 1.86472 -3.06730 0 1 0 0.00000 HETATM 23 Ag 1.06185 3.15914 0.35985 0 1 0 0.00000 HETATM 24 Ag -0.72152 4.12097 -1.52025 0 1 0 0.00000 HETATM 25 Ag -3.25997 3.36713 -1.17366 0 1 0 0.00000 HETATM 26 Ag -1.66553 0.88465 2.29704 0 1 0 0.00000 HETATM 27 Ag -3.73587 0.66553 -1.26062 0 1 0 0.00000 HETATM 28 Ag -3.73607 -0.66545 1.26062 0 1 0 0.00000 HETATM 29 Ag -3.88469 -2.08897 -1.14728 0 1 0 0.00000 HETATM 30 Ag -1.73010 -1.86466 3.06713 0 1 0 0.00000 HETATM 31 Ag -3.26021 -3.36706 1.17350 0 1 0 0.00000 HETATM 32 Ag 0.38138 2.62810 3.04108 0 1 0 0.00000 HETATM 33 Ag 0.31708 -0.03331 4.01303 0 1 0 0.00000 HETATM 34 Ag -1.57123 3.60977 1.18391 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 14 3 4 7 2 6 ORDER 1 1 1 1 1 1 1 CONECT 2 3 15 1 10 9 13 ORDER 2 1 1 1 1 1 1 CONECT 3 8 14 15 1 2 ORDER 3 1 1 1 1 1 CONECT 4 16 8 14 21 1 11 ORDER 4 1 1 1 1 1 1 CONECT 5 8 21 15 23 10 12 ORDER 5 1 1 1 1 1 1 CONECT 6 7 1 19 31 9 30 ORDER 6 1 1 1 1 1 1 CONECT 7 14 29 1 19 31 6 ORDER 7 1 1 1 1 1 1 CONECT 8 16 21 3 15 4 5 ORDER 8 1 1 1 1 1 1 CONECT 9 2 11 6 30 13 33 ORDER 9 1 1 1 1 1 1 CONECT 10 15 5 2 12 13 ORDER 10 1 1 1 1 1 CONECT 11 4 23 9 32 13 33 ORDER 11 1 1 1 1 1 1 CONECT 12 5 23 10 32 13 ORDER 12 1 1 1 1 1 CONECT 13 2 11 10 12 9 33 ORDER 13 1 1 1 1 1 1 CONECT 14 16 17 3 4 7 1 ORDER 14 1 1 1 1 1 1 CONECT 15 8 3 5 2 10 ORDER 15 1 1 1 1 1 CONECT 16 8 22 14 21 17 4 ORDER 16 1 1 1 1 1 1 CONECT 17 16 22 14 27 29 19 ORDER 17 1 1 1 1 1 1 CONECT 18 22 27 19 34 26 ORDER 18 1 1 1 1 1 CONECT 19 17 7 18 28 6 30 ORDER 19 1 1 1 1 1 1 CONECT 20 27 25 34 28 26 ORDER 20 1 1 1 1 1 CONECT 21 16 8 22 24 4 5 ORDER 21 1 1 1 1 1 1 CONECT 22 16 21 17 24 25 18 ORDER 22 1 1 1 1 1 1 CONECT 23 24 5 34 11 12 32 ORDER 23 1 1 1 1 1 1 CONECT 24 22 21 25 23 34 ORDER 24 1 1 1 1 1 CONECT 25 22 24 27 20 34 ORDER 25 1 1 1 1 1 CONECT 26 18 20 28 32 30 33 ORDER 26 1 1 1 1 1 1 CONECT 27 17 25 29 18 20 28 ORDER 27 1 1 1 1 1 1 CONECT 28 27 29 19 20 31 26 ORDER 28 1 1 1 1 1 1 CONECT 29 17 27 7 31 28 ORDER 29 1 1 1 1 1 CONECT 30 19 31 6 26 9 33 ORDER 30 1 1 1 1 1 1 CONECT 31 7 29 28 6 30 ORDER 31 1 1 1 1 1 CONECT 32 23 34 11 12 26 33 ORDER 32 1 1 1 1 1 1 CONECT 33 11 26 9 32 30 13 ORDER 33 1 1 1 1 1 1 CONECT 34 24 25 18 23 20 32 ORDER 34 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1555463.94 END BIOGRF 200 DESCRP S_2198 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -2.03363 1.78714 2.17122 0 1 0 0.00000 HETATM 2 Ag -2.27010 0.00002 -0.00006 0 1 0 0.00000 HETATM 3 Ag 0.00009 -1.37848 -0.95410 0 1 0 0.00000 HETATM 4 Ag -2.03326 -2.77397 0.46209 0 1 0 0.00000 HETATM 5 Ag -4.58495 0.61604 -1.49257 0 1 0 0.00000 HETATM 6 Ag -4.58506 0.98426 1.27978 0 1 0 0.00000 HETATM 7 Ag 1.25454 -3.22091 -2.79058 0 1 0 0.00000 HETATM 8 Ag -1.25433 -3.74600 -2.03213 0 1 0 0.00000 HETATM 9 Ag -4.58479 -1.60082 0.21250 0 1 0 0.00000 HETATM 10 Ag 0.57695 -3.80784 0.14606 0 1 0 0.00000 HETATM 11 Ag -2.96000 -1.01284 2.47021 0 1 0 0.00000 HETATM 12 Ag 2.03330 -2.11721 1.85081 0 1 0 0.00000 HETATM 13 Ag -1.25455 0.11322 4.26013 0 1 0 0.00000 HETATM 14 Ag 2.96000 -2.55187 -0.78449 0 1 0 0.00000 HETATM 15 Ag 1.25440 -0.80615 4.18471 0 1 0 0.00000 HETATM 16 Ag 0.57670 2.03055 3.22437 0 1 0 0.00000 HETATM 17 Ag -0.57685 -2.52895 2.85050 0 1 0 0.00000 HETATM 18 Ag 4.58486 -1.17994 1.10242 0 1 0 0.00000 HETATM 19 Ag 2.27000 0.00009 0.00006 0 1 0 0.00000 HETATM 20 Ag -2.95984 -1.63285 -2.11235 0 1 0 0.00000 HETATM 21 Ag -0.57664 -1.20384 -3.61526 0 1 0 0.00000 HETATM 22 Ag -0.00008 -0.13716 1.67081 0 1 0 0.00000 HETATM 23 Ag 2.03345 2.66163 0.90812 0 1 0 0.00000 HETATM 24 Ag -2.03350 0.98682 -2.63337 0 1 0 0.00000 HETATM 25 Ag -1.25449 3.63280 -2.22805 0 1 0 0.00000 HETATM 26 Ag -2.96006 2.64566 -0.35798 0 1 0 0.00000 HETATM 27 Ag 2.96006 1.95542 -1.81768 0 1 0 0.00000 HETATM 28 Ag 2.95983 0.59662 2.60232 0 1 0 0.00000 HETATM 29 Ag 2.03366 -0.54423 -2.75900 0 1 0 0.00000 HETATM 30 Ag 4.58495 1.54460 0.47084 0 1 0 0.00000 HETATM 31 Ag 4.58501 -0.36462 -1.57279 0 1 0 0.00000 HETATM 32 Ag 0.57676 1.77731 -3.37057 0 1 0 0.00000 HETATM 33 Ag 1.25440 4.02709 -1.39425 0 1 0 0.00000 HETATM 34 Ag -0.57681 3.73292 0.76496 0 1 0 0.00000 HETATM 35 Ag -0.00003 1.51547 -0.71669 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 26 34 6 16 13 ORDER 1 1 1 1 1 1 CONECT 2 24 20 35 26 22 11 ORDER 2 1 1 1 1 1 1 CONECT 3 21 7 29 19 10 4 ORDER 3 1 1 1 1 1 1 CONECT 4 8 3 10 9 11 17 ORDER 4 1 1 1 1 1 1 CONECT 5 24 20 26 9 6 ORDER 5 1 1 1 1 1 CONECT 6 5 26 9 1 11 ORDER 6 1 1 1 1 1 CONECT 7 21 29 8 3 14 10 ORDER 7 1 1 1 1 1 1 CONECT 8 21 7 20 10 4 ORDER 8 1 1 1 1 1 CONECT 9 20 5 4 6 11 ORDER 9 1 1 1 1 1 CONECT 10 7 8 3 14 4 12 ORDER 10 1 1 1 1 1 1 CONECT 11 2 9 4 6 17 13 ORDER 11 1 1 1 1 1 1 CONECT 12 14 10 18 17 15 ORDER 12 1 1 1 1 1 CONECT 13 22 1 11 17 16 15 ORDER 13 1 1 1 1 1 1 CONECT 14 7 31 19 10 18 12 ORDER 14 1 1 1 1 1 1 CONECT 15 22 12 28 17 16 13 ORDER 15 1 1 1 1 1 1 CONECT 16 23 22 1 28 15 13 ORDER 16 1 1 1 1 1 1 CONECT 17 4 22 12 11 15 13 ORDER 17 1 1 1 1 1 1 CONECT 18 31 14 30 12 28 ORDER 18 1 1 1 1 1 CONECT 19 27 3 14 35 22 28 ORDER 19 1 1 1 1 1 1 CONECT 20 21 24 8 5 2 9 ORDER 20 1 1 1 1 1 1 CONECT 21 7 29 24 20 8 3 ORDER 21 1 1 1 1 1 1 CONECT 22 2 19 17 16 15 13 ORDER 22 1 1 1 1 1 1 CONECT 23 33 35 30 34 28 16 ORDER 23 1 1 1 1 1 1 CONECT 24 21 32 25 20 5 2 ORDER 24 1 1 1 1 1 1 CONECT 25 32 24 33 26 34 ORDER 25 1 1 1 1 1 CONECT 26 25 5 2 34 6 1 ORDER 26 1 1 1 1 1 1 CONECT 27 32 29 31 33 19 30 ORDER 27 1 1 1 1 1 1 CONECT 28 19 30 23 18 16 15 ORDER 28 1 1 1 1 1 1 CONECT 29 21 32 7 27 31 3 ORDER 29 1 1 1 1 1 1 CONECT 30 27 31 23 18 28 ORDER 30 1 1 1 1 1 CONECT 31 29 27 14 30 18 ORDER 31 1 1 1 1 1 CONECT 32 29 24 25 27 33 35 ORDER 32 1 1 1 1 1 1 CONECT 33 32 25 27 35 34 23 ORDER 33 1 1 1 1 1 1 CONECT 34 25 33 35 26 23 1 ORDER 34 1 1 1 1 1 1 CONECT 35 32 33 2 19 34 23 ORDER 35 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1601213.82 END BIOGRF 200 DESCRP S_2309 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 4.63723 -1.95643 -0.97369 0 1 0 0.00000 HETATM 2 Ag 3.79282 0.74007 -1.29481 0 1 0 0.00000 HETATM 3 Ag 2.36566 0.63622 2.60630 0 1 0 0.00000 HETATM 4 Ag -3.83740 -2.91632 1.52451 0 1 0 0.00000 HETATM 5 Ag 2.28131 -1.09885 0.25132 0 1 0 0.00000 HETATM 6 Ag 3.83761 -2.91618 1.52458 0 1 0 0.00000 HETATM 7 Ag 2.37323 -3.63745 -0.81918 0 1 0 0.00000 HETATM 8 Ag 4.68612 -0.20150 1.23961 0 1 0 0.00000 HETATM 9 Ag -0.00012 -2.90943 0.52509 0 1 0 0.00000 HETATM 10 Ag -1.49568 -2.11576 2.86574 0 1 0 0.00000 HETATM 11 Ag 1.49559 -2.11588 2.86565 0 1 0 0.00000 HETATM 12 Ag -0.00010 -0.83733 -4.04693 0 1 0 0.00000 HETATM 13 Ag -2.28127 -1.09889 0.25131 0 1 0 0.00000 HETATM 14 Ag -2.37333 -3.63749 -0.81934 0 1 0 0.00000 HETATM 15 Ag 2.35514 -1.41440 -2.58005 0 1 0 0.00000 HETATM 16 Ag -0.00000 -3.11274 -2.31756 0 1 0 0.00000 HETATM 17 Ag -4.63734 -1.95629 -0.97364 0 1 0 0.00000 HETATM 18 Ag -2.35522 -1.41441 -2.58001 0 1 0 0.00000 HETATM 19 Ag -3.79296 0.74008 -1.29469 0 1 0 0.00000 HETATM 20 Ag -1.43734 1.31402 -2.83464 0 1 0 0.00000 HETATM 21 Ag 3.78070 2.47545 0.98651 0 1 0 0.00000 HETATM 22 Ag 1.40437 1.55855 -0.00796 0 1 0 0.00000 HETATM 23 Ag 1.41954 4.16514 0.82065 0 1 0 0.00000 HETATM 24 Ag -0.00003 -0.56822 -1.29132 0 1 0 0.00000 HETATM 25 Ag -1.40440 1.55864 -0.00792 0 1 0 0.00000 HETATM 26 Ag -0.00004 3.46897 -1.56151 0 1 0 0.00000 HETATM 27 Ag 2.83999 3.41213 -1.50085 0 1 0 0.00000 HETATM 28 Ag 0.00016 2.32874 2.43757 0 1 0 0.00000 HETATM 29 Ag 1.43722 1.31396 -2.83478 0 1 0 0.00000 HETATM 30 Ag -2.84004 3.41218 -1.50071 0 1 0 0.00000 HETATM 31 Ag -1.41949 4.16502 0.82077 0 1 0 0.00000 HETATM 32 Ag -4.68593 -0.20154 1.23985 0 1 0 0.00000 HETATM 33 Ag -3.78075 2.47552 0.98672 0 1 0 0.00000 HETATM 34 Ag 0.00001 -0.28045 1.51033 0 1 0 0.00000 HETATM 35 Ag -2.36540 0.63636 2.60644 0 1 0 0.00000 HETATM 36 Ag 0.00013 -0.01150 4.17664 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 15 2 7 5 8 6 ORDER 1 1 1 1 1 1 1 CONECT 2 27 1 22 21 8 ORDER 2 1 1 1 1 1 CONECT 3 21 8 28 11 36 ORDER 3 1 1 1 1 1 CONECT 4 17 14 13 32 10 ORDER 4 1 1 1 1 1 CONECT 5 24 1 7 8 34 6 ORDER 5 1 1 1 1 1 1 CONECT 6 1 7 5 8 11 ORDER 6 1 1 1 1 1 CONECT 7 15 16 1 5 9 6 ORDER 7 1 1 1 1 1 1 CONECT 8 2 1 5 21 6 3 ORDER 8 1 1 1 1 1 1 CONECT 9 16 14 7 11 10 ORDER 9 1 1 1 1 1 CONECT 10 9 34 4 35 36 ORDER 10 1 1 1 1 1 CONECT 11 9 34 6 3 36 ORDER 11 1 1 1 1 1 CONECT 12 29 20 15 18 16 24 ORDER 12 1 1 1 1 1 1 CONECT 13 24 17 14 32 34 4 ORDER 13 1 1 1 1 1 1 CONECT 14 18 16 17 13 9 4 ORDER 14 1 1 1 1 1 1 CONECT 15 12 29 16 24 1 7 ORDER 15 1 1 1 1 1 1 CONECT 16 12 15 24 14 7 9 ORDER 16 1 1 1 1 1 1 CONECT 17 18 19 14 13 32 4 ORDER 17 1 1 1 1 1 1 CONECT 18 12 24 17 14 ORDER 18 1 1 1 1 CONECT 19 20 30 17 25 33 32 ORDER 19 1 1 1 1 1 1 CONECT 20 12 29 30 19 ORDER 20 1 1 1 1 CONECT 21 27 2 22 23 8 3 ORDER 21 1 1 1 1 1 1 CONECT 22 27 2 25 23 21 ORDER 22 1 1 1 1 1 CONECT 23 26 27 22 31 21 28 ORDER 23 1 1 1 1 1 1 CONECT 24 12 15 18 16 13 5 ORDER 24 1 1 1 1 1 1 CONECT 25 30 19 22 31 33 ORDER 25 1 1 1 1 1 CONECT 26 29 27 30 23 31 ORDER 26 1 1 1 1 1 CONECT 27 29 26 2 22 23 21 ORDER 27 1 1 1 1 1 1 CONECT 28 23 31 3 35 36 ORDER 28 1 1 1 1 1 CONECT 29 12 20 15 26 27 ORDER 29 1 1 1 1 1 CONECT 30 20 26 19 25 31 33 ORDER 30 1 1 1 1 1 1 CONECT 31 26 30 25 23 33 28 ORDER 31 1 1 1 1 1 1 CONECT 32 19 17 13 33 4 35 ORDER 32 1 1 1 1 1 1 CONECT 33 30 19 25 31 32 35 ORDER 33 1 1 1 1 1 1 CONECT 34 13 5 35 11 10 36 ORDER 34 1 1 1 1 1 1 CONECT 35 33 32 34 28 10 36 ORDER 35 1 1 1 1 1 1 CONECT 36 34 28 3 35 11 10 ORDER 36 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1646960.24 END BIOGRF 200 DESCRP S_2423 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.98478 1.90155 -2.83328 0 1 0 0.00000 HETATM 2 Ag 2.13711 3.97963 -1.31167 0 1 0 0.00000 HETATM 3 Ag 3.61010 1.48502 -1.57781 0 1 0 0.00000 HETATM 4 Ag 1.38730 1.60406 -0.07631 0 1 0 0.00000 HETATM 5 Ag 4.09597 0.52855 1.07806 0 1 0 0.00000 HETATM 6 Ag -0.62424 3.79731 -1.29116 0 1 0 0.00000 HETATM 7 Ag 2.23034 -1.04988 -0.06689 0 1 0 0.00000 HETATM 8 Ag -2.13748 3.97943 1.31292 0 1 0 0.00000 HETATM 9 Ag 3.42212 3.19358 0.95974 0 1 0 0.00000 HETATM 10 Ag -0.98508 1.90067 2.83410 0 1 0 0.00000 HETATM 11 Ag 1.86806 1.54257 2.67938 0 1 0 0.00000 HETATM 12 Ag 0.62380 3.79604 1.29127 0 1 0 0.00000 HETATM 13 Ag 2.25718 -0.73093 -2.89651 0 1 0 0.00000 HETATM 14 Ag 4.61762 -1.11283 -1.44554 0 1 0 0.00000 HETATM 15 Ag 2.45338 -1.23901 2.74885 0 1 0 0.00000 HETATM 16 Ag 4.49448 -2.27936 1.01192 0 1 0 0.00000 HETATM 17 Ag 0.08834 -0.32989 1.47702 0 1 0 0.00000 HETATM 18 Ag -3.42212 3.19354 -0.95864 0 1 0 0.00000 HETATM 19 Ag 0.12471 -2.70973 -2.82325 0 1 0 0.00000 HETATM 20 Ag -0.08835 -0.32967 -1.47692 0 1 0 0.00000 HETATM 21 Ag 2.60766 -3.26992 -1.46026 0 1 0 0.00000 HETATM 22 Ag -0.23550 -0.25503 -4.22603 0 1 0 0.00000 HETATM 23 Ag -1.86810 1.54317 -2.67885 0 1 0 0.00000 HETATM 24 Ag -4.49437 -2.27905 -1.01208 0 1 0 0.00000 HETATM 25 Ag -2.45348 -1.23827 -2.74909 0 1 0 0.00000 HETATM 26 Ag -1.38588 1.60496 0.07664 0 1 0 0.00000 HETATM 27 Ag -2.25709 -0.73202 2.89677 0 1 0 0.00000 HETATM 28 Ag -2.23059 -1.04889 0.06689 0 1 0 0.00000 HETATM 29 Ag -2.17983 -3.64717 -1.37166 0 1 0 0.00000 HETATM 30 Ag -2.60769 -3.26994 1.45901 0 1 0 0.00000 HETATM 31 Ag -0.00024 -2.81358 -0.00032 0 1 0 0.00000 HETATM 32 Ag -4.09652 0.52880 -1.07856 0 1 0 0.00000 HETATM 33 Ag -0.12458 -2.71043 2.82263 0 1 0 0.00000 HETATM 34 Ag 0.23554 -0.25622 4.22615 0 1 0 0.00000 HETATM 35 Ag 2.17973 -3.64761 1.37045 0 1 0 0.00000 HETATM 36 Ag -4.61780 -1.11340 1.44567 0 1 0 0.00000 HETATM 37 Ag -3.60930 1.48396 1.57734 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 22 13 23 20 2 ORDER 1 1 1 1 1 1 CONECT 2 1 3 6 4 9 12 ORDER 2 1 1 1 1 1 1 CONECT 3 13 14 2 4 9 5 ORDER 3 1 1 1 1 1 1 CONECT 4 3 2 7 26 9 12 ORDER 4 1 1 1 1 1 1 CONECT 5 3 7 9 16 15 ORDER 5 1 1 1 1 1 CONECT 6 23 2 18 26 12 8 ORDER 6 1 1 1 1 1 1 CONECT 7 21 14 4 16 5 17 ORDER 7 1 1 1 1 1 1 CONECT 8 6 18 26 12 37 10 ORDER 8 1 1 1 1 1 1 CONECT 9 3 2 4 5 12 11 ORDER 9 1 1 1 1 1 1 CONECT 10 8 11 34 ORDER 10 1 1 1 CONECT 11 9 12 15 10 34 ORDER 11 1 1 1 1 1 CONECT 12 2 6 4 9 8 11 ORDER 12 1 1 1 1 1 1 CONECT 13 22 1 19 3 20 14 ORDER 13 1 1 1 1 1 1 CONECT 14 13 3 21 7 16 ORDER 14 1 1 1 1 1 CONECT 15 16 5 35 11 34 ORDER 15 1 1 1 1 1 CONECT 16 21 14 7 5 35 15 ORDER 16 1 1 1 1 1 1 CONECT 17 7 33 27 34 ORDER 17 1 1 1 1 CONECT 18 23 6 32 26 8 37 ORDER 18 1 1 1 1 1 1 CONECT 19 22 13 20 21 29 31 ORDER 19 1 1 1 1 1 1 CONECT 20 22 13 1 19 28 ORDER 20 1 1 1 1 1 CONECT 21 19 14 7 31 16 35 ORDER 21 1 1 1 1 1 1 CONECT 22 13 1 19 25 23 20 ORDER 22 1 1 1 1 1 1 CONECT 23 22 1 25 6 18 ORDER 23 1 1 1 1 1 CONECT 24 25 29 32 28 36 30 ORDER 24 1 1 1 1 1 1 CONECT 25 22 23 29 32 24 ORDER 25 1 1 1 1 1 CONECT 26 6 18 4 28 8 37 ORDER 26 1 1 1 1 1 1 CONECT 27 36 17 37 33 34 ORDER 27 1 1 1 1 1 CONECT 28 20 32 24 26 36 30 ORDER 28 1 1 1 1 1 1 CONECT 29 19 25 24 31 30 ORDER 29 1 1 1 1 1 CONECT 30 29 24 31 28 36 33 ORDER 30 1 1 1 1 1 1 CONECT 31 19 21 29 35 30 33 ORDER 31 1 1 1 1 1 1 CONECT 32 25 24 18 28 36 37 ORDER 32 1 1 1 1 1 1 CONECT 33 31 35 30 17 27 34 ORDER 33 1 1 1 1 1 1 CONECT 34 17 11 15 33 10 27 ORDER 34 1 1 1 1 1 1 CONECT 35 21 31 16 15 33 ORDER 35 1 1 1 1 1 CONECT 36 32 24 28 30 37 27 ORDER 36 1 1 1 1 1 1 CONECT 37 32 18 26 8 36 27 ORDER 37 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1692711.68 END BIOGRF 200 DESCRP S_2555 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.13172 4.27468 0.56111 0 1 0 0.00000 HETATM 2 Ag 0.88542 1.71863 -0.56280 0 1 0 0.00000 HETATM 3 Ag -1.45871 3.21061 0.21226 0 1 0 0.00000 HETATM 4 Ag 2.37660 2.53554 -2.79133 0 1 0 0.00000 HETATM 5 Ag -1.69499 0.57025 -0.92517 0 1 0 0.00000 HETATM 6 Ag -2.92262 2.30776 2.44966 0 1 0 0.00000 HETATM 7 Ag -2.48407 2.82687 -2.38885 0 1 0 0.00000 HETATM 8 Ag -0.63032 0.88062 1.69748 0 1 0 0.00000 HETATM 9 Ag 0.08024 3.96820 -2.02870 0 1 0 0.00000 HETATM 10 Ag -0.18167 1.42659 -3.22689 0 1 0 0.00000 HETATM 11 Ag -2.73589 0.26018 -3.50936 0 1 0 0.00000 HETATM 12 Ag -4.23264 -0.56726 -1.27737 0 1 0 0.00000 HETATM 13 Ag -3.25240 -0.27129 1.35251 0 1 0 0.00000 HETATM 14 Ag -3.98078 1.99940 -0.15664 0 1 0 0.00000 HETATM 15 Ag -2.12313 0.04743 3.91909 0 1 0 0.00000 HETATM 16 Ag 0.42499 1.18165 4.27693 0 1 0 0.00000 HETATM 17 Ag 1.97545 2.05535 2.08664 0 1 0 0.00000 HETATM 18 Ag -0.37447 3.44187 2.80743 0 1 0 0.00000 HETATM 19 Ag 3.42802 2.84193 -0.20139 0 1 0 0.00000 HETATM 20 Ag 3.25240 0.27130 -1.35251 0 1 0 0.00000 HETATM 21 Ag 0.63032 -0.88062 -1.69748 0 1 0 0.00000 HETATM 22 Ag 2.12316 -0.04751 -3.91906 0 1 0 0.00000 HETATM 23 Ag -1.97545 -2.05534 -2.08664 0 1 0 0.00000 HETATM 24 Ag -3.42802 -2.84193 0.20139 0 1 0 0.00000 HETATM 25 Ag -0.42499 -1.18164 -4.27692 0 1 0 0.00000 HETATM 26 Ag 0.37447 -3.44186 -2.80742 0 1 0 0.00000 HETATM 27 Ag -0.88542 -1.71863 0.56280 0 1 0 0.00000 HETATM 28 Ag 1.69499 -0.57025 0.92517 0 1 0 0.00000 HETATM 29 Ag 2.92262 -2.30776 -2.44966 0 1 0 0.00000 HETATM 30 Ag 0.18167 -1.42659 3.22690 0 1 0 0.00000 HETATM 31 Ag 1.45870 -3.21061 -0.21226 0 1 0 0.00000 HETATM 32 Ag 2.48406 -2.82686 2.38885 0 1 0 0.00000 HETATM 33 Ag -1.13172 -4.27470 -0.56120 0 1 0 0.00000 HETATM 34 Ag -0.08024 -3.96819 2.02870 0 1 0 0.00000 HETATM 35 Ag 3.98078 -1.99939 0.15664 0 1 0 0.00000 HETATM 36 Ag 4.23263 0.56726 1.27738 0 1 0 0.00000 HETATM 37 Ag 2.73589 -0.26017 3.50937 0 1 0 0.00000 HETATM 38 Ag -2.37660 -2.53554 2.79133 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 9 2 19 3 17 18 ORDER 1 1 1 1 1 1 1 CONECT 2 4 9 19 1 28 ORDER 2 1 1 1 1 1 CONECT 3 7 9 14 1 6 18 ORDER 3 1 1 1 1 1 1 CONECT 4 22 10 9 20 2 19 ORDER 4 1 1 1 1 1 1 CONECT 5 11 7 12 14 27 8 ORDER 5 1 1 1 1 1 1 CONECT 6 14 3 13 8 18 15 ORDER 6 1 1 1 1 1 1 CONECT 7 11 10 9 5 14 3 ORDER 7 1 1 1 1 1 1 CONECT 8 5 6 18 15 16 ORDER 8 1 1 1 1 1 CONECT 9 10 4 7 2 3 1 ORDER 9 1 1 1 1 1 1 CONECT 10 25 22 11 4 7 9 ORDER 10 1 1 1 1 1 1 CONECT 11 25 10 7 23 12 5 ORDER 11 1 1 1 1 1 1 CONECT 12 11 23 5 14 24 13 ORDER 12 1 1 1 1 1 1 CONECT 13 12 14 24 6 38 15 ORDER 13 1 1 1 1 1 1 CONECT 14 7 12 5 3 13 6 ORDER 14 1 1 1 1 1 1 CONECT 15 13 8 6 38 30 16 ORDER 15 1 1 1 1 1 1 CONECT 16 8 17 18 30 37 15 ORDER 16 1 1 1 1 1 1 CONECT 17 19 1 36 18 37 16 ORDER 17 1 1 1 1 1 1 CONECT 18 3 1 8 17 6 16 ORDER 18 1 1 1 1 1 1 CONECT 19 4 20 2 1 36 17 ORDER 19 1 1 1 1 1 1 CONECT 20 22 4 29 19 35 36 ORDER 20 1 1 1 1 1 1 CONECT 21 25 22 26 29 28 ORDER 21 1 1 1 1 1 CONECT 22 25 10 4 29 21 20 ORDER 22 1 1 1 1 1 1 CONECT 23 25 11 26 12 33 24 ORDER 23 1 1 1 1 1 1 CONECT 24 23 12 33 27 13 38 ORDER 24 1 1 1 1 1 1 CONECT 25 22 11 10 26 23 21 ORDER 25 1 1 1 1 1 1 CONECT 26 25 29 23 21 33 31 ORDER 26 1 1 1 1 1 1 CONECT 27 5 33 24 34 38 ORDER 27 1 1 1 1 1 CONECT 28 21 2 35 36 32 37 ORDER 28 1 1 1 1 1 1 CONECT 29 22 26 21 20 31 35 ORDER 29 1 1 1 1 1 1 CONECT 30 34 32 38 37 15 16 ORDER 30 1 1 1 1 1 1 CONECT 31 26 29 33 35 34 32 ORDER 31 1 1 1 1 1 1 CONECT 32 31 35 28 34 30 37 ORDER 32 1 1 1 1 1 1 CONECT 33 26 23 31 24 27 34 ORDER 33 1 1 1 1 1 1 CONECT 34 33 31 27 32 38 30 ORDER 34 1 1 1 1 1 1 CONECT 35 29 20 31 28 36 32 ORDER 35 1 1 1 1 1 1 CONECT 36 20 19 35 28 17 37 ORDER 36 1 1 1 1 1 1 CONECT 37 28 36 17 32 30 16 ORDER 37 1 1 1 1 1 1 CONECT 38 24 27 13 34 30 15 ORDER 38 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1738463.12 END BIOGRF 200 DESCRP S_2675 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.02064 -2.17425 -0.11564 0 1 0 0.00000 HETATM 2 Ag -1.75248 -1.64257 -0.11566 0 1 0 0.00000 HETATM 3 Ag -2.23900 -4.10538 -1.19501 0 1 0 0.00000 HETATM 4 Ag -1.80147 -1.68850 2.73102 0 1 0 0.00000 HETATM 5 Ag -0.75188 -3.92076 1.23844 0 1 0 0.00000 HETATM 6 Ag -3.54180 -3.31948 1.18021 0 1 0 0.00000 HETATM 7 Ag -3.96125 -0.49654 1.23837 0 1 0 0.00000 HETATM 8 Ag -3.18286 3.42565 -1.19509 0 1 0 0.00000 HETATM 9 Ag -4.24152 -1.96856 -1.19511 0 1 0 0.00000 HETATM 10 Ag -1.05796 2.25426 -2.63410 0 1 0 0.00000 HETATM 11 Ag -4.25153 2.34265 1.18025 0 1 0 0.00000 HETATM 12 Ag -1.69631 3.61385 1.23845 0 1 0 0.00000 HETATM 13 Ag -2.16249 1.19155 2.73107 0 1 0 0.00000 HETATM 14 Ag -4.59637 0.86074 -1.19502 0 1 0 0.00000 HETATM 15 Ag 0.00005 0.00004 -4.14242 0 1 0 0.00000 HETATM 16 Ag -2.10373 1.15912 -0.11562 0 1 0 0.00000 HETATM 17 Ag -0.46910 -2.44552 -2.63417 0 1 0 0.00000 HETATM 18 Ag -2.47076 -0.30960 -2.63415 0 1 0 0.00000 HETATM 19 Ag 0.00004 -0.00001 -1.46219 0 1 0 0.00000 HETATM 20 Ag 0.56149 -4.64229 -1.19511 0 1 0 0.00000 HETATM 21 Ag 3.49655 -1.92660 1.23841 0 1 0 0.00000 HETATM 22 Ag 2.38327 0.29875 -0.11563 0 1 0 0.00000 HETATM 23 Ag 0.45229 2.35888 -0.11560 0 1 0 0.00000 HETATM 24 Ag 4.58855 -0.90054 -1.19508 0 1 0 0.00000 HETATM 25 Ag 3.21261 -3.39797 -1.19494 0 1 0 0.00000 HETATM 26 Ag 2.91282 2.73002 1.23843 0 1 0 0.00000 HETATM 27 Ag 2.18096 -1.20181 -2.63419 0 1 0 0.00000 HETATM 28 Ag 1.81693 1.70282 -2.63418 0 1 0 0.00000 HETATM 29 Ag 2.27441 4.08574 -1.19507 0 1 0 0.00000 HETATM 30 Ag 4.22446 2.00529 -1.19499 0 1 0 0.00000 HETATM 31 Ag 4.81650 0.60372 1.18026 0 1 0 0.00000 HETATM 32 Ag 2.44983 0.30707 2.73110 0 1 0 0.00000 HETATM 33 Ag 0.00004 0.00000 1.39594 0 1 0 0.00000 HETATM 34 Ag 0.91417 4.76742 1.18025 0 1 0 0.00000 HETATM 35 Ag -0.00001 -0.00009 4.15937 0 1 0 0.00000 HETATM 36 Ag 1.04909 -2.23503 2.73107 0 1 0 0.00000 HETATM 37 Ag 2.06262 -4.39424 1.18022 0 1 0 0.00000 HETATM 38 Ag -0.60177 4.63732 -1.19493 0 1 0 0.00000 HETATM 39 Ag 0.46500 2.42485 2.73101 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 20 25 2 22 37 ORDER 1 1 1 1 1 1 CONECT 2 9 3 1 16 6 ORDER 2 1 1 1 1 1 CONECT 3 17 20 9 2 6 5 ORDER 3 1 1 1 1 1 1 CONECT 4 6 5 33 36 35 ORDER 4 1 1 1 1 1 CONECT 5 20 3 6 37 4 36 ORDER 5 1 1 1 1 1 1 CONECT 6 9 3 2 7 5 4 ORDER 6 1 1 1 1 1 1 CONECT 7 9 14 6 11 13 ORDER 7 1 1 1 1 1 CONECT 8 10 14 38 16 11 12 ORDER 8 1 1 1 1 1 1 CONECT 9 18 14 3 2 6 7 ORDER 9 1 1 1 1 1 1 CONECT 10 15 28 18 19 8 38 ORDER 10 1 1 1 1 1 1 CONECT 11 8 14 16 7 12 13 ORDER 11 1 1 1 1 1 1 CONECT 12 8 38 23 34 11 ORDER 12 1 1 1 1 1 CONECT 13 11 7 33 39 35 ORDER 13 1 1 1 1 1 CONECT 14 18 9 8 16 11 7 ORDER 14 1 1 1 1 1 1 CONECT 15 27 28 17 18 10 19 ORDER 15 1 1 1 1 1 1 CONECT 16 8 14 2 23 11 ORDER 16 1 1 1 1 1 CONECT 17 15 27 18 19 20 3 ORDER 17 1 1 1 1 1 1 CONECT 18 15 17 10 19 9 14 ORDER 18 1 1 1 1 1 1 CONECT 19 15 27 28 17 18 10 ORDER 19 1 1 1 1 1 1 CONECT 20 17 3 25 1 37 5 ORDER 20 1 1 1 1 1 1 CONECT 21 24 25 37 31 32 ORDER 21 1 1 1 1 1 CONECT 22 24 30 1 23 31 26 ORDER 22 1 1 1 1 1 1 CONECT 23 29 38 22 16 34 12 ORDER 23 1 1 1 1 1 1 CONECT 24 27 30 25 22 31 21 ORDER 24 1 1 1 1 1 1 CONECT 25 27 20 24 1 37 21 ORDER 25 1 1 1 1 1 1 CONECT 26 29 30 22 34 31 39 ORDER 26 1 1 1 1 1 1 CONECT 27 15 28 17 19 24 25 ORDER 27 1 1 1 1 1 1 CONECT 28 15 27 10 19 29 30 ORDER 28 1 1 1 1 1 1 CONECT 29 28 30 38 23 34 26 ORDER 29 1 1 1 1 1 1 CONECT 30 28 24 29 22 31 26 ORDER 30 1 1 1 1 1 1 CONECT 31 24 30 22 21 26 32 ORDER 31 1 1 1 1 1 1 CONECT 32 31 21 33 39 36 35 ORDER 32 1 1 1 1 1 1 CONECT 33 39 4 36 13 32 35 ORDER 33 1 1 1 1 1 1 CONECT 34 29 38 23 26 12 39 ORDER 34 1 1 1 1 1 1 CONECT 35 33 39 4 36 13 32 ORDER 35 1 1 1 1 1 1 CONECT 36 37 5 33 4 32 35 ORDER 36 1 1 1 1 1 1 CONECT 37 20 25 1 21 5 36 ORDER 37 1 1 1 1 1 1 CONECT 38 10 8 29 23 34 12 ORDER 38 1 1 1 1 1 1 CONECT 39 34 26 33 13 32 35 ORDER 39 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1784216.44 END BIOGRF 200 DESCRP S_2798 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00026 -2.35607 0.06772 0 1 0 0.00000 HETATM 2 Ag 2.42544 -1.69385 -2.58266 0 1 0 0.00000 HETATM 3 Ag 4.11580 -2.83714 -0.74000 0 1 0 0.00000 HETATM 4 Ag -1.66740 -4.14986 -1.07752 0 1 0 0.00000 HETATM 5 Ag 4.55989 -0.00433 -1.18487 0 1 0 0.00000 HETATM 6 Ag -2.37005 -3.16005 1.49977 0 1 0 0.00000 HETATM 7 Ag 1.66837 -4.14951 -1.07752 0 1 0 0.00000 HETATM 8 Ag -0.00008 -0.18982 -4.12777 0 1 0 0.00000 HETATM 9 Ag 2.37082 -3.15949 1.49978 0 1 0 0.00000 HETATM 10 Ag 0.00055 -4.77709 1.22366 0 1 0 0.00000 HETATM 11 Ag 2.34927 1.01457 -2.67509 0 1 0 0.00000 HETATM 12 Ag -4.11514 -2.83802 -0.74008 0 1 0 0.00000 HETATM 13 Ag -2.42492 -1.69432 -2.58269 0 1 0 0.00000 HETATM 14 Ag -4.55992 -0.00536 -1.18491 0 1 0 0.00000 HETATM 15 Ag -2.34959 1.01412 -2.67510 0 1 0 0.00000 HETATM 16 Ag 0.00006 -0.16710 -1.51549 0 1 0 0.00000 HETATM 17 Ag 0.00033 -2.80206 -2.87569 0 1 0 0.00000 HETATM 18 Ag -2.28886 -0.77751 0.03506 0 1 0 0.00000 HETATM 19 Ag -4.65197 -1.31344 1.44785 0 1 0 0.00000 HETATM 20 Ag 0.00025 -2.36632 2.88633 0 1 0 0.00000 HETATM 21 Ag 1.40970 1.90788 -0.15351 0 1 0 0.00000 HETATM 22 Ag -1.44013 2.11522 2.72328 0 1 0 0.00000 HETATM 23 Ag 1.43969 2.11555 2.72322 0 1 0 0.00000 HETATM 24 Ag 3.85480 2.78440 -1.15580 0 1 0 0.00000 HETATM 25 Ag 4.65224 -1.31238 1.44780 0 1 0 0.00000 HETATM 26 Ag 3.77305 1.32441 1.26886 0 1 0 0.00000 HETATM 27 Ag 2.33073 -0.62866 2.87237 0 1 0 0.00000 HETATM 28 Ag -0.00042 4.01878 1.12469 0 1 0 0.00000 HETATM 29 Ag 2.28906 -0.77702 0.03510 0 1 0 0.00000 HETATM 30 Ag -2.33057 -0.62918 2.87238 0 1 0 0.00000 HETATM 31 Ag -0.00005 0.17161 4.23820 0 1 0 0.00000 HETATM 32 Ag -0.00027 2.44240 -2.68200 0 1 0 0.00000 HETATM 33 Ag 1.44282 4.39943 -1.30135 0 1 0 0.00000 HETATM 34 Ag -0.00006 0.07217 1.45659 0 1 0 0.00000 HETATM 35 Ag -1.44382 4.39914 -1.30138 0 1 0 0.00000 HETATM 36 Ag -2.81902 3.99682 1.12559 0 1 0 0.00000 HETATM 37 Ag -3.77334 1.32350 1.26892 0 1 0 0.00000 HETATM 38 Ag -3.85546 2.78356 -1.15574 0 1 0 0.00000 HETATM 39 Ag -1.41018 1.90759 -0.15352 0 1 0 0.00000 HETATM 40 Ag 2.81813 3.99742 1.12552 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 16 7 4 18 29 10 ORDER 1 1 1 1 1 1 1 CONECT 2 17 11 7 3 29 ORDER 2 1 1 1 1 1 CONECT 3 2 5 7 25 9 ORDER 3 1 1 1 1 1 CONECT 4 17 13 12 1 10 6 ORDER 4 1 1 1 1 1 1 CONECT 5 11 24 3 29 25 ORDER 5 1 1 1 1 1 CONECT 6 4 12 18 10 30 20 ORDER 6 1 1 1 1 1 1 CONECT 7 17 2 3 1 10 9 ORDER 7 1 1 1 1 1 1 CONECT 8 17 32 16 ORDER 8 1 1 1 CONECT 9 7 3 29 10 27 20 ORDER 9 1 1 1 1 1 1 CONECT 10 7 4 1 6 9 ORDER 10 1 1 1 1 1 CONECT 11 32 2 5 24 ORDER 11 1 1 1 1 CONECT 12 13 14 4 19 6 ORDER 12 1 1 1 1 1 CONECT 13 17 15 4 12 18 ORDER 13 1 1 1 1 1 CONECT 14 15 38 12 18 37 19 ORDER 14 1 1 1 1 1 1 CONECT 15 32 13 14 38 39 ORDER 15 1 1 1 1 1 CONECT 16 8 1 ORDER 16 1 1 CONECT 17 8 13 2 7 4 ORDER 17 1 1 1 1 1 CONECT 18 13 14 1 19 6 ORDER 18 1 1 1 1 1 CONECT 19 14 12 18 37 30 ORDER 19 1 1 1 1 1 CONECT 20 6 9 27 30 31 ORDER 20 1 1 1 1 1 CONECT 21 33 24 39 40 26 34 ORDER 21 1 1 1 1 1 1 CONECT 22 36 37 34 23 31 ORDER 22 1 1 1 1 1 CONECT 23 28 40 26 34 22 31 ORDER 23 1 1 1 1 1 1 CONECT 24 11 33 5 21 40 26 ORDER 24 1 1 1 1 1 1 CONECT 25 5 3 29 26 27 ORDER 25 1 1 1 1 1 CONECT 26 24 21 40 25 23 ORDER 26 1 1 1 1 1 CONECT 27 25 34 9 20 31 ORDER 27 1 1 1 1 1 CONECT 28 35 33 40 36 23 ORDER 28 1 1 1 1 1 CONECT 29 2 5 1 25 9 ORDER 29 1 1 1 1 1 CONECT 30 19 34 6 20 31 ORDER 30 1 1 1 1 1 CONECT 31 34 23 22 27 30 20 ORDER 31 1 1 1 1 1 1 CONECT 32 8 15 11 35 33 ORDER 32 1 1 1 1 1 CONECT 33 32 35 24 21 28 40 ORDER 33 1 1 1 1 1 1 CONECT 34 21 23 22 27 30 31 ORDER 34 1 1 1 1 1 1 CONECT 35 32 33 38 39 28 36 ORDER 35 1 1 1 1 1 1 CONECT 36 35 38 39 28 37 22 ORDER 36 1 1 1 1 1 1 CONECT 37 14 38 39 36 19 22 ORDER 37 1 1 1 1 1 1 CONECT 38 15 35 14 39 36 37 ORDER 38 1 1 1 1 1 1 CONECT 39 15 35 38 21 36 37 ORDER 39 1 1 1 1 1 1 CONECT 40 33 24 21 28 26 23 ORDER 40 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1829962.55 END BIOGRF 200 DESCRP S_2924 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -1.70577 1.45342 -2.82626 0 1 0 0.00000 HETATM 2 Ag 0.01538 4.70682 -1.01473 0 1 0 0.00000 HETATM 3 Ag -0.89817 2.28498 -0.11199 0 1 0 0.00000 HETATM 4 Ag 0.78120 3.79435 1.58870 0 1 0 0.00000 HETATM 5 Ag -1.90089 4.61122 1.03531 0 1 0 0.00000 HETATM 6 Ag 1.77145 1.43165 0.33364 0 1 0 0.00000 HETATM 7 Ag 3.45016 2.86075 2.02034 0 1 0 0.00000 HETATM 8 Ag -2.69549 3.76493 -1.54228 0 1 0 0.00000 HETATM 9 Ag 0.08393 0.00003 -1.31216 0 1 0 0.00000 HETATM 10 Ag 1.00056 2.40939 -2.33042 0 1 0 0.00000 HETATM 11 Ag 2.70162 3.87757 -0.51411 0 1 0 0.00000 HETATM 12 Ag 1.27889 1.45317 3.16815 0 1 0 0.00000 HETATM 13 Ag 1.77124 -1.43197 0.33365 0 1 0 0.00000 HETATM 14 Ag 3.74308 2.49665 -2.63963 0 1 0 0.00000 HETATM 15 Ag 2.76125 -0.00022 -2.01692 0 1 0 0.00000 HETATM 16 Ag 4.46949 1.43960 -0.20187 0 1 0 0.00000 HETATM 17 Ag 4.46927 -1.44028 -0.20197 0 1 0 0.00000 HETATM 18 Ag 3.49656 -0.00030 2.07411 0 1 0 0.00000 HETATM 19 Ag 3.74255 -2.49719 -2.63974 0 1 0 0.00000 HETATM 20 Ag 0.58136 -0.00010 -3.94121 0 1 0 0.00000 HETATM 21 Ag 2.70099 -3.87791 -0.51419 0 1 0 0.00000 HETATM 22 Ag 1.27868 -1.45336 3.16813 0 1 0 0.00000 HETATM 23 Ag 3.44981 -2.86126 2.02025 0 1 0 0.00000 HETATM 24 Ag -0.93608 0.00011 4.21647 0 1 0 0.00000 HETATM 25 Ag -1.44219 2.33998 2.68135 0 1 0 0.00000 HETATM 26 Ag -0.41918 0.00010 1.49085 0 1 0 0.00000 HETATM 27 Ag -4.34860 1.46108 -1.84658 0 1 0 0.00000 HETATM 28 Ag -3.59626 2.34318 0.76357 0 1 0 0.00000 HETATM 29 Ag -3.10269 0.00029 2.36412 0 1 0 0.00000 HETATM 30 Ag -3.59670 -2.34257 0.76374 0 1 0 0.00000 HETATM 31 Ag -2.52784 0.00019 -0.41873 0 1 0 0.00000 HETATM 32 Ag -1.90156 -4.61091 1.03540 0 1 0 0.00000 HETATM 33 Ag -1.70610 -1.45321 -2.82619 0 1 0 0.00000 HETATM 34 Ag -2.69613 -3.76451 -1.54225 0 1 0 0.00000 HETATM 35 Ag -5.17927 0.00036 0.41676 0 1 0 0.00000 HETATM 36 Ag -4.34889 -1.46050 -1.84651 0 1 0 0.00000 HETATM 37 Ag -0.89859 -2.28486 -0.11192 0 1 0 0.00000 HETATM 38 Ag -1.44256 -2.33971 2.68142 0 1 0 0.00000 HETATM 39 Ag 0.78070 -3.79449 1.58878 0 1 0 0.00000 HETATM 40 Ag 1.00013 -2.40958 -2.33043 0 1 0 0.00000 HETATM 41 Ag 0.01466 -4.70688 -1.01467 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 33 10 27 8 9 ORDER 1 1 1 1 1 1 CONECT 2 10 8 11 3 5 4 ORDER 2 1 1 1 1 1 1 CONECT 3 8 2 31 5 4 ORDER 3 1 1 1 1 1 CONECT 4 2 11 3 6 5 7 ORDER 4 1 1 1 1 1 1 CONECT 5 8 2 3 28 4 25 ORDER 5 1 1 1 1 1 1 CONECT 6 9 11 16 4 7 18 ORDER 6 1 1 1 1 1 1 CONECT 7 11 16 6 4 18 12 ORDER 7 1 1 1 1 1 1 CONECT 8 1 27 2 3 28 5 ORDER 8 1 1 1 1 1 1 CONECT 9 20 1 33 31 6 13 ORDER 9 1 1 1 1 1 1 CONECT 10 20 1 14 15 2 11 ORDER 10 1 1 1 1 1 1 CONECT 11 14 10 2 6 4 7 ORDER 11 1 1 1 1 1 1 CONECT 12 26 7 25 22 24 ORDER 12 1 1 1 1 1 CONECT 13 9 21 17 23 18 ORDER 13 1 1 1 1 1 CONECT 14 10 15 11 16 ORDER 14 1 1 1 1 CONECT 15 20 19 14 10 17 16 ORDER 15 1 1 1 1 1 1 CONECT 16 14 15 17 6 7 18 ORDER 16 1 1 1 1 1 1 CONECT 17 19 15 16 13 23 18 ORDER 17 1 1 1 1 1 1 CONECT 18 17 16 6 13 23 7 ORDER 18 1 1 1 1 1 1 CONECT 19 40 15 21 17 ORDER 19 1 1 1 1 CONECT 20 33 40 10 15 9 ORDER 20 1 1 1 1 1 CONECT 21 19 40 41 13 39 23 ORDER 21 1 1 1 1 1 1 CONECT 22 26 39 23 38 12 24 ORDER 22 1 1 1 1 1 1 CONECT 23 21 17 13 39 18 22 ORDER 23 1 1 1 1 1 1 CONECT 24 26 29 25 38 22 12 ORDER 24 1 1 1 1 1 1 CONECT 25 5 26 12 24 ORDER 25 1 1 1 1 CONECT 26 29 25 38 22 12 24 ORDER 26 1 1 1 1 1 1 CONECT 27 1 36 8 31 35 28 ORDER 27 1 1 1 1 1 1 CONECT 28 27 8 35 5 29 ORDER 28 1 1 1 1 1 CONECT 29 35 28 26 24 ORDER 29 1 1 1 1 CONECT 30 36 34 37 35 32 ORDER 30 1 1 1 1 1 CONECT 31 27 36 9 3 37 35 ORDER 31 1 1 1 1 1 1 CONECT 32 34 41 37 30 39 38 ORDER 32 1 1 1 1 1 1 CONECT 33 20 1 40 36 34 9 ORDER 33 1 1 1 1 1 1 CONECT 34 33 36 41 37 30 32 ORDER 34 1 1 1 1 1 1 CONECT 35 27 36 31 28 30 29 ORDER 35 1 1 1 1 1 1 CONECT 36 33 27 34 31 35 30 ORDER 36 1 1 1 1 1 1 CONECT 37 34 41 31 30 32 39 ORDER 37 1 1 1 1 1 1 CONECT 38 32 26 22 24 ORDER 38 1 1 1 1 CONECT 39 41 21 37 32 23 22 ORDER 39 1 1 1 1 1 1 CONECT 40 20 33 19 41 21 ORDER 40 1 1 1 1 1 CONECT 41 40 34 21 37 32 39 ORDER 41 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1875718.38 END BIOGRF 200 DESCRP S_3053 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -1.58656 1.46113 -2.92045 0 1 0 0.00000 HETATM 2 Ag -1.02379 2.28653 -0.14935 0 1 0 0.00000 HETATM 3 Ag -2.11026 4.61729 0.89589 0 1 0 0.00000 HETATM 4 Ag -4.30642 1.46384 -2.18135 0 1 0 0.00000 HETATM 5 Ag -2.68500 3.77028 -1.73276 0 1 0 0.00000 HETATM 6 Ag -1.58641 -1.46113 -2.92057 0 1 0 0.00000 HETATM 7 Ag -4.30631 -1.46405 -2.18141 0 1 0 0.00000 HETATM 8 Ag -5.33961 -0.00023 -0.00276 0 1 0 0.00000 HETATM 9 Ag -2.68468 -3.77033 -1.73291 0 1 0 0.00000 HETATM 10 Ag -3.78848 -2.34787 0.48409 0 1 0 0.00000 HETATM 11 Ag -2.63026 -0.00011 -0.59334 0 1 0 0.00000 HETATM 12 Ag -3.44980 -0.00017 2.12456 0 1 0 0.00000 HETATM 13 Ag -3.78872 2.34756 0.48420 0 1 0 0.00000 HETATM 14 Ag -0.70231 -0.00007 1.49947 0 1 0 0.00000 HETATM 15 Ag -2.10986 -4.61739 0.89576 0 1 0 0.00000 HETATM 16 Ag -1.46378 -0.00009 4.16291 0 1 0 0.00000 HETATM 17 Ag -1.81526 -2.34679 2.58253 0 1 0 0.00000 HETATM 18 Ag -1.81546 2.34657 2.58254 0 1 0 0.00000 HETATM 19 Ag -0.00725 -4.68837 -0.97775 0 1 0 0.00000 HETATM 20 Ag 0.83649 -1.45780 3.32658 0 1 0 0.00000 HETATM 21 Ag 0.50959 -3.79901 1.68309 0 1 0 0.00000 HETATM 22 Ag -1.02359 -2.28657 -0.14942 0 1 0 0.00000 HETATM 23 Ag 0.83636 1.45783 3.32659 0 1 0 0.00000 HETATM 24 Ag 0.50933 3.79900 1.68308 0 1 0 0.00000 HETATM 25 Ag 2.63498 3.82746 -0.25723 0 1 0 0.00000 HETATM 26 Ag 0.03521 0.00002 -1.24616 0 1 0 0.00000 HETATM 27 Ag 1.09955 2.39239 -2.18977 0 1 0 0.00000 HETATM 28 Ag -0.00754 4.68837 -0.97779 0 1 0 0.00000 HETATM 29 Ag 1.58595 1.42585 0.55868 0 1 0 0.00000 HETATM 30 Ag 3.93588 -2.39308 -2.27756 0 1 0 0.00000 HETATM 31 Ag 3.93571 2.39331 -2.27754 0 1 0 0.00000 HETATM 32 Ag 0.76450 0.00008 -3.83242 0 1 0 0.00000 HETATM 33 Ag 1.58611 -1.42570 0.55873 0 1 0 0.00000 HETATM 34 Ag 3.14310 0.00012 2.45758 0 1 0 0.00000 HETATM 35 Ag 2.72450 0.00003 -1.68705 0 1 0 0.00000 HETATM 36 Ag 4.35235 -1.43187 0.27863 0 1 0 0.00000 HETATM 37 Ag 3.10657 2.86607 2.37878 0 1 0 0.00000 HETATM 38 Ag 5.44124 0.00016 -1.88670 0 1 0 0.00000 HETATM 39 Ag 4.35228 1.43209 0.27869 0 1 0 0.00000 HETATM 40 Ag 3.10668 -2.86584 2.37883 0 1 0 0.00000 HETATM 41 Ag 1.09973 -2.39227 -2.18974 0 1 0 0.00000 HETATM 42 Ag 2.63525 -3.82723 -0.25720 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 32 6 27 4 5 26 ORDER 1 1 1 1 1 1 1 CONECT 2 5 26 28 11 3 24 ORDER 2 1 1 1 1 1 1 CONECT 3 5 28 2 13 24 18 ORDER 3 1 1 1 1 1 1 CONECT 4 1 7 5 11 8 13 ORDER 4 1 1 1 1 1 1 CONECT 5 1 4 28 2 13 3 ORDER 5 1 1 1 1 1 1 CONECT 6 32 1 41 7 9 ORDER 6 1 1 1 1 1 CONECT 7 6 4 9 11 8 10 ORDER 7 1 1 1 1 1 1 CONECT 8 7 4 11 10 13 12 ORDER 8 1 1 1 1 1 1 CONECT 9 6 7 19 22 10 15 ORDER 9 1 1 1 1 1 1 CONECT 10 7 9 8 15 ORDER 10 1 1 1 1 CONECT 11 7 4 26 22 2 8 ORDER 11 1 1 1 1 1 1 CONECT 12 8 13 14 16 ORDER 12 1 1 1 1 CONECT 13 4 5 8 3 12 18 ORDER 13 1 1 1 1 1 1 CONECT 14 12 17 18 20 23 16 ORDER 14 1 1 1 1 1 1 CONECT 15 9 19 22 10 21 17 ORDER 15 1 1 1 1 1 1 CONECT 16 14 12 17 18 20 23 ORDER 16 1 1 1 1 1 1 CONECT 17 15 14 16 ORDER 17 1 1 1 CONECT 18 13 3 14 16 ORDER 18 1 1 1 1 CONECT 19 41 9 42 22 15 21 ORDER 19 1 1 1 1 1 1 CONECT 20 14 40 34 16 ORDER 20 1 1 1 1 CONECT 21 19 42 22 33 15 40 ORDER 21 1 1 1 1 1 1 CONECT 22 9 26 19 11 15 21 ORDER 22 1 1 1 1 1 1 CONECT 23 14 37 34 16 ORDER 23 1 1 1 1 CONECT 24 28 25 2 29 3 37 ORDER 24 1 1 1 1 1 1 CONECT 25 31 27 28 29 24 37 ORDER 25 1 1 1 1 1 1 CONECT 26 32 1 35 11 22 2 ORDER 26 1 1 1 1 1 1 CONECT 27 32 1 31 28 25 ORDER 27 1 1 1 1 1 CONECT 28 27 5 25 2 3 24 ORDER 28 1 1 1 1 1 1 CONECT 29 25 39 33 24 37 34 ORDER 29 1 1 1 1 1 1 CONECT 30 41 38 35 42 36 ORDER 30 1 1 1 1 1 CONECT 31 27 38 35 25 39 ORDER 31 1 1 1 1 1 CONECT 32 6 1 27 41 35 26 ORDER 32 1 1 1 1 1 1 CONECT 33 42 36 29 21 40 34 ORDER 33 1 1 1 1 1 1 CONECT 34 29 33 37 40 20 23 ORDER 34 1 1 1 1 1 1 CONECT 35 32 30 31 38 26 36 ORDER 35 1 1 1 1 1 1 CONECT 36 30 38 35 39 33 40 ORDER 36 1 1 1 1 1 1 CONECT 37 25 39 29 24 34 23 ORDER 37 1 1 1 1 1 1 CONECT 38 30 31 35 36 39 ORDER 38 1 1 1 1 1 CONECT 39 31 38 36 29 37 ORDER 39 1 1 1 1 1 CONECT 40 42 36 33 21 34 20 ORDER 40 1 1 1 1 1 1 CONECT 41 32 6 30 19 42 ORDER 41 1 1 1 1 1 CONECT 42 30 41 19 33 21 40 ORDER 42 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1921472.64 END BIOGRF 200 DESCRP S_3185 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -2.65348 0.00021 -0.78455 0 1 0 0.00000 HETATM 2 Ag -4.13662 1.46500 -2.54901 0 1 0 0.00000 HETATM 3 Ag -1.35172 1.45572 -2.99285 0 1 0 0.00000 HETATM 4 Ag -4.13699 -1.46426 -2.54893 0 1 0 0.00000 HETATM 5 Ag -3.76466 0.00034 1.82900 0 1 0 0.00000 HETATM 6 Ag -0.97300 0.00008 1.51190 0 1 0 0.00000 HETATM 7 Ag -2.17844 2.35150 2.46085 0 1 0 0.00000 HETATM 8 Ag -5.40676 0.00049 -0.49656 0 1 0 0.00000 HETATM 9 Ag -2.57241 3.76803 -1.93037 0 1 0 0.00000 HETATM 10 Ag -1.10498 2.28758 -0.17012 0 1 0 0.00000 HETATM 11 Ag -3.91751 2.34983 0.15959 0 1 0 0.00000 HETATM 12 Ag 0.37218 1.45727 3.50149 0 1 0 0.00000 HETATM 13 Ag -2.01043 0.00009 4.07291 0 1 0 0.00000 HETATM 14 Ag 1.22944 2.37882 -1.97504 0 1 0 0.00000 HETATM 15 Ag 2.73637 2.87030 2.78679 0 1 0 0.00000 HETATM 16 Ag 4.05136 2.31763 -1.87580 0 1 0 0.00000 HETATM 17 Ag 0.01340 4.67984 -0.88409 0 1 0 0.00000 HETATM 18 Ag 2.57128 3.78571 0.08551 0 1 0 0.00000 HETATM 19 Ag -2.28786 4.62018 0.74546 0 1 0 0.00000 HETATM 20 Ag 1.38679 1.43454 0.84992 0 1 0 0.00000 HETATM 21 Ag 0.23177 3.81117 1.81727 0 1 0 0.00000 HETATM 22 Ag 4.20244 1.45524 0.81968 0 1 0 0.00000 HETATM 23 Ag 5.54304 -0.00039 -1.22486 0 1 0 0.00000 HETATM 24 Ag 2.77079 -0.00033 2.85535 0 1 0 0.00000 HETATM 25 Ag 0.37195 -1.45757 3.50139 0 1 0 0.00000 HETATM 26 Ag 2.76328 -0.00016 -1.14566 0 1 0 0.00000 HETATM 27 Ag 1.18905 -0.00012 -3.61687 0 1 0 0.00000 HETATM 28 Ag 4.05084 -2.31804 -1.87613 0 1 0 0.00000 HETATM 29 Ag 4.00087 0.00005 -3.55374 0 1 0 0.00000 HETATM 30 Ag -1.10539 -2.28744 -0.17024 0 1 0 0.00000 HETATM 31 Ag 1.38652 -1.43475 0.84983 0 1 0 0.00000 HETATM 32 Ag 0.05834 -0.00003 -1.14374 0 1 0 0.00000 HETATM 33 Ag -1.35204 -1.45545 -2.99289 0 1 0 0.00000 HETATM 34 Ag -2.28874 -4.61992 0.74545 0 1 0 0.00000 HETATM 35 Ag -3.91796 -2.34919 0.15960 0 1 0 0.00000 HETATM 36 Ag -2.17890 -2.35122 2.46082 0 1 0 0.00000 HETATM 37 Ag -2.57312 -3.76757 -1.93030 0 1 0 0.00000 HETATM 38 Ag 2.73592 -2.87091 2.78657 0 1 0 0.00000 HETATM 39 Ag 0.01249 -4.67981 -0.88423 0 1 0 0.00000 HETATM 40 Ag 1.22884 -2.37902 -1.97511 0 1 0 0.00000 HETATM 41 Ag 0.23112 -3.81130 1.81714 0 1 0 0.00000 HETATM 42 Ag 4.20220 -1.45598 0.81941 0 1 0 0.00000 HETATM 43 Ag 2.57070 -3.78613 0.08518 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 4 32 8 30 10 ORDER 1 1 1 1 1 1 1 CONECT 2 3 4 9 1 8 11 ORDER 2 1 1 1 1 1 1 CONECT 3 33 2 14 9 32 ORDER 3 1 1 1 1 1 CONECT 4 33 2 37 1 8 35 ORDER 4 1 1 1 1 1 1 CONECT 5 8 11 35 6 13 ORDER 5 1 1 1 1 1 CONECT 6 5 36 7 25 12 13 ORDER 6 1 1 1 1 1 1 CONECT 7 11 19 6 21 13 ORDER 7 1 1 1 1 1 CONECT 8 2 4 1 11 35 5 ORDER 8 1 1 1 1 1 1 CONECT 9 3 2 17 10 11 19 ORDER 9 1 1 1 1 1 1 CONECT 10 9 17 1 19 ORDER 10 1 1 1 1 CONECT 11 2 9 8 19 5 7 ORDER 11 1 1 1 1 1 1 CONECT 12 6 21 15 24 13 ORDER 12 1 1 1 1 1 CONECT 13 6 5 36 7 25 12 ORDER 13 1 1 1 1 1 1 CONECT 14 27 3 16 17 18 ORDER 14 1 1 1 1 1 CONECT 15 18 22 20 21 24 12 ORDER 15 1 1 1 1 1 1 CONECT 16 29 14 23 26 18 22 ORDER 16 1 1 1 1 1 1 CONECT 17 14 9 10 18 19 21 ORDER 17 1 1 1 1 1 1 CONECT 18 14 16 17 20 15 ORDER 18 1 1 1 1 1 CONECT 19 9 17 10 11 21 7 ORDER 19 1 1 1 1 1 1 CONECT 20 26 18 22 21 15 ORDER 20 1 1 1 1 1 CONECT 21 17 19 20 7 15 12 ORDER 21 1 1 1 1 1 1 CONECT 22 16 23 20 15 24 ORDER 22 1 1 1 1 1 CONECT 23 29 28 16 26 42 22 ORDER 23 1 1 1 1 1 1 CONECT 24 22 38 15 25 12 ORDER 24 1 1 1 1 1 CONECT 25 6 36 38 24 13 ORDER 25 1 1 1 1 1 CONECT 26 29 28 16 23 32 20 ORDER 26 1 1 1 1 1 1 CONECT 27 29 33 40 14 32 ORDER 27 1 1 1 1 1 CONECT 28 29 40 23 26 43 42 ORDER 28 1 1 1 1 1 1 CONECT 29 27 28 16 23 26 ORDER 29 1 1 1 1 1 CONECT 30 37 32 39 1 34 31 ORDER 30 1 1 1 1 1 1 CONECT 31 30 43 42 41 38 ORDER 31 1 1 1 1 1 CONECT 32 27 33 3 26 1 30 ORDER 32 1 1 1 1 1 1 CONECT 33 27 3 4 40 37 32 ORDER 33 1 1 1 1 1 1 CONECT 34 37 39 30 35 41 36 ORDER 34 1 1 1 1 1 1 CONECT 35 4 37 8 34 5 36 ORDER 35 1 1 1 1 1 1 CONECT 36 35 34 6 41 25 13 ORDER 36 1 1 1 1 1 1 CONECT 37 33 4 39 30 35 34 ORDER 37 1 1 1 1 1 1 CONECT 38 43 42 31 41 24 25 ORDER 38 1 1 1 1 1 1 CONECT 39 40 37 30 43 34 41 ORDER 39 1 1 1 1 1 1 CONECT 40 27 33 28 39 43 ORDER 40 1 1 1 1 1 CONECT 41 39 43 34 31 36 38 ORDER 41 1 1 1 1 1 1 CONECT 42 28 23 31 38 ORDER 42 1 1 1 1 CONECT 43 40 28 39 31 41 38 ORDER 43 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -1967219.69 END BIOGRF 200 DESCRP S_3320 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 4.19610 1.98570 -0.31783 0 1 0 0.00000 HETATM 2 Ag 1.37122 2.18276 -0.41862 0 1 0 0.00000 HETATM 3 Ag 2.84973 4.46015 0.14730 0 1 0 0.00000 HETATM 4 Ag 2.81659 3.32350 -2.43465 0 1 0 0.00000 HETATM 5 Ag 1.29431 1.05810 -3.14215 0 1 0 0.00000 HETATM 6 Ag -1.09350 2.34370 -2.02601 0 1 0 0.00000 HETATM 7 Ag 0.43258 4.59975 -1.29528 0 1 0 0.00000 HETATM 8 Ag -0.08847 -0.05913 -1.05124 0 1 0 0.00000 HETATM 9 Ag -4.26539 0.18808 -3.16172 0 1 0 0.00000 HETATM 10 Ag -3.18809 -2.26509 -3.69302 0 1 0 0.00000 HETATM 11 Ag 4.09256 0.81726 -2.92259 0 1 0 0.00000 HETATM 12 Ag -1.42141 -0.16654 -3.43869 0 1 0 0.00000 HETATM 13 Ag 0.94254 -2.34428 0.08520 0 1 0 0.00000 HETATM 14 Ag -1.52593 -2.39867 -1.49785 0 1 0 0.00000 HETATM 15 Ag -0.44759 -4.68698 -0.25465 0 1 0 0.00000 HETATM 16 Ag 2.09513 -4.13649 -1.61374 0 1 0 0.00000 HETATM 17 Ag 3.75425 -2.66194 0.19317 0 1 0 0.00000 HETATM 18 Ag 1.98419 -4.67966 1.15816 0 1 0 0.00000 HETATM 19 Ag 2.63442 -0.30274 -0.90126 0 1 0 0.00000 HETATM 20 Ag 3.96906 -0.15408 1.60235 0 1 0 0.00000 HETATM 21 Ag 1.01100 -1.83029 -2.83319 0 1 0 0.00000 HETATM 22 Ag 5.39173 -0.55853 -0.83022 0 1 0 0.00000 HETATM 23 Ag 3.81031 -2.08322 -2.60467 0 1 0 0.00000 HETATM 24 Ag -2.10028 4.08619 -0.02807 0 1 0 0.00000 HETATM 25 Ag -3.88476 2.59949 -1.67939 0 1 0 0.00000 HETATM 26 Ag -5.53556 0.51239 -0.68422 0 1 0 0.00000 HETATM 27 Ag -1.36334 -1.13662 1.18976 0 1 0 0.00000 HETATM 28 Ag 2.23516 -2.25007 2.61327 0 1 0 0.00000 HETATM 29 Ag -0.35051 -3.50916 2.32570 0 1 0 0.00000 HETATM 30 Ag -3.87581 1.99657 1.07067 0 1 0 0.00000 HETATM 31 Ag -4.15304 -0.87290 1.38004 0 1 0 0.00000 HETATM 32 Ag -2.82484 -3.42687 0.79373 0 1 0 0.00000 HETATM 33 Ag -4.36382 -2.03032 -1.21008 0 1 0 0.00000 HETATM 34 Ag -2.77878 0.19868 -0.87287 0 1 0 0.00000 HETATM 35 Ag -2.41818 0.62231 3.13614 0 1 0 0.00000 HETATM 36 Ag -0.12034 -0.99988 3.74279 0 1 0 0.00000 HETATM 37 Ag -2.66233 -2.22508 3.37517 0 1 0 0.00000 HETATM 38 Ag 0.15257 1.88118 3.42066 0 1 0 0.00000 HETATM 39 Ag -1.09884 1.69378 0.86882 0 1 0 0.00000 HETATM 40 Ag 1.17133 0.10319 1.50467 0 1 0 0.00000 HETATM 41 Ag 2.42914 0.25474 3.96389 0 1 0 0.00000 HETATM 42 Ag 2.67783 2.39857 2.09843 0 1 0 0.00000 HETATM 43 Ag -2.11902 3.44968 2.75069 0 1 0 0.00000 HETATM 44 Ag 0.36808 4.02277 1.49140 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 11 4 22 3 ORDER 1 1 1 1 1 CONECT 2 4 7 8 19 3 39 ORDER 2 1 1 1 1 1 1 CONECT 3 4 7 2 1 44 42 ORDER 3 1 1 1 1 1 1 CONECT 4 5 11 7 2 1 3 ORDER 4 1 1 1 1 1 1 CONECT 5 11 21 4 6 8 ORDER 5 1 1 1 1 1 CONECT 6 12 5 25 7 24 ORDER 6 1 1 1 1 1 CONECT 7 4 6 2 24 3 44 ORDER 7 1 1 1 1 1 1 CONECT 8 12 5 21 19 34 2 ORDER 8 1 1 1 1 1 1 CONECT 9 10 12 25 34 26 ORDER 9 1 1 1 1 1 CONECT 10 12 9 14 33 ORDER 10 1 1 1 1 CONECT 11 5 23 4 19 22 1 ORDER 11 1 1 1 1 1 1 CONECT 12 10 9 6 8 ORDER 12 1 1 1 1 CONECT 13 16 19 15 17 18 27 ORDER 13 1 1 1 1 1 1 CONECT 14 10 21 33 15 32 ORDER 14 1 1 1 1 1 CONECT 15 16 14 13 32 18 29 ORDER 15 1 1 1 1 1 1 CONECT 16 21 23 15 13 17 18 ORDER 16 1 1 1 1 1 1 CONECT 17 23 16 22 13 18 ORDER 17 1 1 1 1 1 CONECT 18 16 15 13 17 29 28 ORDER 18 1 1 1 1 1 1 CONECT 19 11 23 8 22 2 13 ORDER 19 1 1 1 1 1 1 CONECT 20 22 40 42 28 41 ORDER 20 1 1 1 1 1 CONECT 21 5 23 16 14 8 ORDER 21 1 1 1 1 1 CONECT 22 11 23 19 1 17 20 ORDER 22 1 1 1 1 1 1 CONECT 23 11 21 16 19 22 17 ORDER 23 1 1 1 1 1 1 CONECT 24 6 25 7 39 43 ORDER 24 1 1 1 1 1 CONECT 25 9 6 34 26 24 30 ORDER 25 1 1 1 1 1 1 CONECT 26 9 25 33 34 30 31 ORDER 26 1 1 1 1 1 1 CONECT 27 13 32 31 29 35 37 ORDER 27 1 1 1 1 1 1 CONECT 28 18 40 20 29 36 41 ORDER 28 1 1 1 1 1 1 CONECT 29 15 18 27 28 37 36 ORDER 29 1 1 1 1 1 1 CONECT 30 25 26 39 43 35 ORDER 30 1 1 1 1 1 CONECT 31 33 26 27 37 ORDER 31 1 1 1 1 CONECT 32 14 33 15 27 37 ORDER 32 1 1 1 1 1 CONECT 33 10 14 34 26 32 31 ORDER 33 1 1 1 1 1 1 CONECT 34 9 25 33 8 26 ORDER 34 1 1 1 1 1 CONECT 35 39 30 27 43 37 38 ORDER 35 1 1 1 1 1 1 CONECT 36 40 29 28 37 41 ORDER 36 1 1 1 1 1 CONECT 37 32 27 31 29 35 36 ORDER 37 1 1 1 1 1 1 CONECT 38 44 40 43 35 41 ORDER 38 1 1 1 1 1 CONECT 39 2 24 30 44 43 35 ORDER 39 1 1 1 1 1 1 CONECT 40 20 42 28 38 36 41 ORDER 40 1 1 1 1 1 1 CONECT 41 40 20 42 28 38 36 ORDER 41 1 1 1 1 1 1 CONECT 42 3 44 40 20 41 ORDER 42 1 1 1 1 1 CONECT 43 24 39 30 44 35 38 ORDER 43 1 1 1 1 1 1 CONECT 44 7 3 39 42 43 38 ORDER 44 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2012969.56 END BIOGRF 200 DESCRP S_3458 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 2.31142 1.60819 -0.54388 0 1 0 0.00000 HETATM 2 Ag 4.66610 3.03098 -0.27857 0 1 0 0.00000 HETATM 3 Ag 3.80473 1.35261 1.85267 0 1 0 0.00000 HETATM 4 Ag 1.41115 -0.08460 1.55932 0 1 0 0.00000 HETATM 5 Ag -1.41115 -0.08456 1.55925 0 1 0 0.00000 HETATM 6 Ag 1.44591 2.03747 3.35632 0 1 0 0.00000 HETATM 7 Ag 2.84114 -0.38072 3.90394 0 1 0 0.00000 HETATM 8 Ag -1.44590 2.03751 3.35632 0 1 0 0.00000 HETATM 9 Ag 2.37040 3.78380 1.21864 0 1 0 0.00000 HETATM 10 Ag 0.00005 4.80150 -0.21093 0 1 0 0.00000 HETATM 11 Ag 2.41163 4.12705 -1.59438 0 1 0 0.00000 HETATM 12 Ag -3.80463 1.35272 1.85264 0 1 0 0.00000 HETATM 13 Ag 1.43926 -2.61332 2.78275 0 1 0 0.00000 HETATM 14 Ag -1.43928 -2.61331 2.78277 0 1 0 0.00000 HETATM 15 Ag -2.84104 -0.38065 3.90398 0 1 0 0.00000 HETATM 16 Ag 0.00006 -0.38854 3.98152 0 1 0 0.00000 HETATM 17 Ag -2.31142 1.60815 -0.54388 0 1 0 0.00000 HETATM 18 Ag 0.00003 -4.75172 1.54350 0 1 0 0.00000 HETATM 19 Ag 0.00005 2.34633 0.96546 0 1 0 0.00000 HETATM 20 Ag -3.80517 -1.55066 1.49375 0 1 0 0.00000 HETATM 21 Ag -2.41158 4.12693 -1.59446 0 1 0 0.00000 HETATM 22 Ag -4.66610 3.03110 -0.27862 0 1 0 0.00000 HETATM 23 Ag -2.37035 3.78389 1.21861 0 1 0 0.00000 HETATM 24 Ag -0.00005 -1.94069 -2.59662 0 1 0 0.00000 HETATM 25 Ag -0.00007 -4.43958 -1.29574 0 1 0 0.00000 HETATM 26 Ag -0.00001 -2.25997 0.36412 0 1 0 0.00000 HETATM 27 Ag 0.00003 2.71824 -2.04535 0 1 0 0.00000 HETATM 28 Ag -2.40900 -3.40920 -2.51249 0 1 0 0.00000 HETATM 29 Ag 2.40888 -3.40915 -2.51268 0 1 0 0.00000 HETATM 30 Ag 3.80516 -1.55079 1.49368 0 1 0 0.00000 HETATM 31 Ag 2.36710 -3.77834 0.30272 0 1 0 0.00000 HETATM 32 Ag 2.31645 -1.21143 -0.89330 0 1 0 0.00000 HETATM 33 Ag -0.00001 0.22628 -0.86581 0 1 0 0.00000 HETATM 34 Ag 4.66656 -2.66274 -0.97780 0 1 0 0.00000 HETATM 35 Ag 1.50404 0.48816 -3.15538 0 1 0 0.00000 HETATM 36 Ag 4.75917 0.18215 -0.60420 0 1 0 0.00000 HETATM 37 Ag 3.92043 -0.95530 -3.09003 0 1 0 0.00000 HETATM 38 Ag 3.91509 1.87980 -2.74013 0 1 0 0.00000 HETATM 39 Ag -3.92044 -0.95536 -3.08995 0 1 0 0.00000 HETATM 40 Ag -2.31651 -1.21140 -0.89325 0 1 0 0.00000 HETATM 41 Ag -1.50406 0.48822 -3.15540 0 1 0 0.00000 HETATM 42 Ag -3.91517 1.87978 -2.74013 0 1 0 0.00000 HETATM 43 Ag -4.75917 0.18221 -0.60410 0 1 0 0.00000 HETATM 44 Ag -4.66666 -2.66272 -0.97767 0 1 0 0.00000 HETATM 45 Ag -2.36707 -3.77831 0.30280 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 38 11 33 36 2 9 ORDER 1 1 1 1 1 1 1 CONECT 2 38 11 36 1 9 3 ORDER 2 1 1 1 1 1 1 CONECT 3 2 9 4 6 7 ORDER 3 1 1 1 1 1 CONECT 4 30 3 13 6 7 16 ORDER 4 1 1 1 1 1 1 CONECT 5 20 12 14 8 15 16 ORDER 5 1 1 1 1 1 1 CONECT 6 19 4 3 8 7 16 ORDER 6 1 1 1 1 1 1 CONECT 7 30 4 3 13 6 16 ORDER 7 1 1 1 1 1 1 CONECT 8 19 5 12 6 15 16 ORDER 8 1 1 1 1 1 1 CONECT 9 11 1 2 10 19 3 ORDER 9 1 1 1 1 1 1 CONECT 10 27 21 11 19 23 9 ORDER 10 1 1 1 1 1 1 CONECT 11 38 27 1 2 10 9 ORDER 11 1 1 1 1 1 1 CONECT 12 22 5 8 15 ORDER 12 1 1 1 1 CONECT 13 31 26 18 4 14 7 ORDER 13 1 1 1 1 1 1 CONECT 14 45 18 5 13 15 ORDER 14 1 1 1 1 1 CONECT 15 20 5 12 14 8 16 ORDER 15 1 1 1 1 1 1 CONECT 16 5 4 8 6 7 15 ORDER 16 1 1 1 1 1 1 CONECT 17 42 21 33 43 22 23 ORDER 17 1 1 1 1 1 1 CONECT 18 25 31 45 26 13 14 ORDER 18 1 1 1 1 1 1 CONECT 19 10 23 9 8 6 ORDER 19 1 1 1 1 1 CONECT 20 44 5 15 ORDER 20 1 1 1 CONECT 21 42 27 17 22 10 23 ORDER 21 1 1 1 1 1 1 CONECT 22 42 21 43 17 23 12 ORDER 22 1 1 1 1 1 1 CONECT 23 21 17 22 10 19 ORDER 23 1 1 1 1 1 CONECT 24 41 35 29 28 25 ORDER 24 1 1 1 1 1 CONECT 25 24 29 28 26 18 ORDER 25 1 1 1 1 1 CONECT 26 25 31 45 18 13 ORDER 26 1 1 1 1 1 CONECT 27 41 35 21 11 10 ORDER 27 1 1 1 1 1 CONECT 28 39 24 25 44 40 45 ORDER 28 1 1 1 1 1 1 CONECT 29 37 24 25 34 32 31 ORDER 29 1 1 1 1 1 1 CONECT 30 34 4 7 ORDER 30 1 1 1 CONECT 31 29 34 32 26 18 13 ORDER 31 1 1 1 1 1 1 CONECT 32 37 29 34 33 36 31 ORDER 32 1 1 1 1 1 1 CONECT 33 41 35 32 40 17 1 ORDER 33 1 1 1 1 1 1 CONECT 34 37 29 32 36 31 30 ORDER 34 1 1 1 1 1 1 CONECT 35 41 37 38 24 27 33 ORDER 35 1 1 1 1 1 1 CONECT 36 37 38 34 32 1 2 ORDER 36 1 1 1 1 1 1 CONECT 37 35 38 29 34 32 36 ORDER 37 1 1 1 1 1 1 CONECT 38 35 37 11 36 1 2 ORDER 38 1 1 1 1 1 1 CONECT 39 41 42 28 44 40 43 ORDER 39 1 1 1 1 1 1 CONECT 40 39 28 44 33 43 45 ORDER 40 1 1 1 1 1 1 CONECT 41 35 39 42 24 27 33 ORDER 41 1 1 1 1 1 1 CONECT 42 41 39 21 43 17 22 ORDER 42 1 1 1 1 1 1 CONECT 43 39 42 44 40 17 22 ORDER 43 1 1 1 1 1 1 CONECT 44 39 28 40 43 45 20 ORDER 44 1 1 1 1 1 1 CONECT 45 28 44 40 26 18 14 ORDER 45 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2058721.94 END BIOGRF 200 DESCRP S_3599 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.41279 -0.00002 1.51097 0 1 0 0.00000 HETATM 2 Ag 3.80611 1.46187 1.62549 0 1 0 0.00000 HETATM 3 Ag 4.66743 -2.86857 -0.69256 0 1 0 0.00000 HETATM 4 Ag 2.36749 -3.81832 0.71664 0 1 0 0.00000 HETATM 5 Ag 3.80613 -1.46189 1.62555 0 1 0 0.00000 HETATM 6 Ag 2.31806 -1.41934 -0.78585 0 1 0 0.00000 HETATM 7 Ag 4.76316 -0.00004 -0.66950 0 1 0 0.00000 HETATM 8 Ag 2.40974 -3.79781 -2.12372 0 1 0 0.00000 HETATM 9 Ag 3.91930 -1.42883 -2.99737 0 1 0 0.00000 HETATM 10 Ag 4.66742 2.86843 -0.69260 0 1 0 0.00000 HETATM 11 Ag 2.36757 3.81833 0.71649 0 1 0 0.00000 HETATM 12 Ag 2.31806 1.41930 -0.78582 0 1 0 0.00000 HETATM 13 Ag 3.91944 1.42872 -2.99741 0 1 0 0.00000 HETATM 14 Ag 0.00005 4.66893 -0.79059 0 1 0 0.00000 HETATM 15 Ag -0.00002 2.35344 -2.39637 0 1 0 0.00000 HETATM 16 Ag -1.50553 -0.00002 -3.24281 0 1 0 0.00000 HETATM 17 Ag -2.40975 -3.79765 -2.12390 0 1 0 0.00000 HETATM 18 Ag 0.00002 -0.00000 -0.94645 0 1 0 0.00000 HETATM 19 Ag 0.00005 -2.35344 -2.39627 0 1 0 0.00000 HETATM 20 Ag 1.50556 -0.00001 -3.24278 0 1 0 0.00000 HETATM 21 Ag -0.00004 -4.66887 -0.79054 0 1 0 0.00000 HETATM 22 Ag 2.40975 3.79763 -2.12385 0 1 0 0.00000 HETATM 23 Ag -0.00010 -4.63165 2.06685 0 1 0 0.00000 HETATM 24 Ag -2.31808 -1.41929 -0.78584 0 1 0 0.00000 HETATM 25 Ag 0.00001 -2.30437 0.59103 0 1 0 0.00000 HETATM 26 Ag -2.36762 -3.81835 0.71656 0 1 0 0.00000 HETATM 27 Ag -3.91939 -1.42869 -2.99746 0 1 0 0.00000 HETATM 28 Ag -3.80613 -1.46191 1.62553 0 1 0 0.00000 HETATM 29 Ag -4.66749 -2.86846 -0.69268 0 1 0 0.00000 HETATM 30 Ag -3.91929 1.42881 -2.99737 0 1 0 0.00000 HETATM 31 Ag -0.00006 -0.00001 3.94958 0 1 0 0.00000 HETATM 32 Ag -2.36749 3.81837 0.71661 0 1 0 0.00000 HETATM 33 Ag -1.43922 2.35718 3.03556 0 1 0 0.00000 HETATM 34 Ag 2.83876 0.00003 3.87271 0 1 0 0.00000 HETATM 35 Ag 1.43926 2.35727 3.03558 0 1 0 0.00000 HETATM 36 Ag -2.83874 0.00006 3.87265 0 1 0 0.00000 HETATM 37 Ag 1.43927 -2.35718 3.03556 0 1 0 0.00000 HETATM 38 Ag -1.41274 -0.00002 1.51099 0 1 0 0.00000 HETATM 39 Ag -2.40971 3.79777 -2.12379 0 1 0 0.00000 HETATM 40 Ag -2.31807 1.41935 -0.78581 0 1 0 0.00000 HETATM 41 Ag -1.43933 -2.35723 3.03560 0 1 0 0.00000 HETATM 42 Ag -4.66744 2.86847 -0.69257 0 1 0 0.00000 HETATM 43 Ag -4.76317 0.00002 -0.66951 0 1 0 0.00000 HETATM 44 Ag -3.80609 1.46188 1.62558 0 1 0 0.00000 HETATM 45 Ag 0.00005 4.63168 2.06686 0 1 0 0.00000 HETATM 46 Ag 0.00003 2.30447 0.59101 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 5 37 35 34 31 ORDER 1 1 1 1 1 1 1 CONECT 2 10 1 34 ORDER 2 1 1 1 CONECT 3 9 8 6 7 4 5 ORDER 3 1 1 1 1 1 1 CONECT 4 8 6 3 25 23 37 ORDER 4 1 1 1 1 1 1 CONECT 5 3 1 34 ORDER 5 1 1 1 CONECT 6 9 8 18 3 7 4 ORDER 6 1 1 1 1 1 1 CONECT 7 13 9 6 12 10 3 ORDER 7 1 1 1 1 1 1 CONECT 8 9 19 21 6 3 4 ORDER 8 1 1 1 1 1 1 CONECT 9 20 13 8 6 3 7 ORDER 9 1 1 1 1 1 1 CONECT 10 13 22 12 7 11 2 ORDER 10 1 1 1 1 1 1 CONECT 11 22 12 10 46 45 35 ORDER 11 1 1 1 1 1 1 CONECT 12 13 22 18 10 7 11 ORDER 12 1 1 1 1 1 1 CONECT 13 20 9 22 12 10 7 ORDER 13 1 1 1 1 1 1 CONECT 14 15 22 39 46 45 ORDER 14 1 1 1 1 1 CONECT 15 16 20 22 39 14 ORDER 15 1 1 1 1 1 CONECT 16 27 30 15 19 18 ORDER 16 1 1 1 1 1 CONECT 17 27 19 21 24 29 26 ORDER 17 1 1 1 1 1 1 CONECT 18 16 20 6 24 12 40 ORDER 18 1 1 1 1 1 1 CONECT 19 16 20 17 8 21 ORDER 19 1 1 1 1 1 CONECT 20 13 9 15 19 18 ORDER 20 1 1 1 1 1 CONECT 21 19 17 8 25 23 ORDER 21 1 1 1 1 1 CONECT 22 13 15 14 12 10 11 ORDER 22 1 1 1 1 1 1 CONECT 23 21 25 26 4 37 41 ORDER 23 1 1 1 1 1 1 CONECT 24 27 17 18 29 43 26 ORDER 24 1 1 1 1 1 1 CONECT 25 21 26 4 23 37 41 ORDER 25 1 1 1 1 1 1 CONECT 26 17 24 29 25 23 41 ORDER 26 1 1 1 1 1 1 CONECT 27 16 30 17 24 29 43 ORDER 27 1 1 1 1 1 1 CONECT 28 29 38 44 36 ORDER 28 1 1 1 1 CONECT 29 27 17 24 43 26 28 ORDER 29 1 1 1 1 1 1 CONECT 30 16 27 39 40 42 43 ORDER 30 1 1 1 1 1 1 CONECT 31 1 38 36 34 ORDER 31 1 1 1 1 CONECT 32 39 40 42 46 45 33 ORDER 32 1 1 1 1 1 1 CONECT 33 46 32 38 45 35 36 ORDER 33 1 1 1 1 1 1 CONECT 34 1 2 5 37 35 31 ORDER 34 1 1 1 1 1 1 CONECT 35 46 11 1 45 33 34 ORDER 35 1 1 1 1 1 1 CONECT 36 38 28 44 33 41 31 ORDER 36 1 1 1 1 1 1 CONECT 37 25 4 1 23 41 34 ORDER 37 1 1 1 1 1 1 CONECT 38 28 44 33 41 36 31 ORDER 38 1 1 1 1 1 1 CONECT 39 30 15 14 40 42 32 ORDER 39 1 1 1 1 1 1 CONECT 40 30 39 18 42 43 32 ORDER 40 1 1 1 1 1 1 CONECT 41 25 26 38 23 37 36 ORDER 41 1 1 1 1 1 1 CONECT 42 30 39 40 43 32 44 ORDER 42 1 1 1 1 1 1 CONECT 43 27 30 24 40 29 42 ORDER 43 1 1 1 1 1 1 CONECT 44 42 38 28 36 ORDER 44 1 1 1 1 CONECT 45 14 46 11 32 33 35 ORDER 45 1 1 1 1 1 1 CONECT 46 14 11 32 45 33 35 ORDER 46 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2104473.70 END BIOGRF 200 DESCRP S_3743 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 2.41518 -3.57993 -2.56903 0 1 0 0.00000 HETATM 2 Ag 1.50278 0.30401 -3.15954 0 1 0 0.00000 HETATM 3 Ag -0.00029 -2.12916 -2.63579 0 1 0 0.00000 HETATM 4 Ag -0.00028 -2.48430 0.32393 0 1 0 0.00000 HETATM 5 Ag -2.32379 -1.40696 -0.91713 0 1 0 0.00000 HETATM 6 Ag -1.50272 0.30438 -3.15954 0 1 0 0.00000 HETATM 7 Ag -3.92966 -1.11115 -3.11058 0 1 0 0.00000 HETATM 8 Ag -0.00063 -4.63839 -1.36869 0 1 0 0.00000 HETATM 9 Ag -2.41621 -3.57939 -2.56886 0 1 0 0.00000 HETATM 10 Ag -4.75599 -0.00164 -0.61437 0 1 0 0.00000 HETATM 11 Ag -4.63725 2.84928 -0.25445 0 1 0 0.00000 HETATM 12 Ag -3.89097 1.72583 -2.72579 0 1 0 0.00000 HETATM 13 Ag -3.81280 -1.78168 1.46148 0 1 0 0.00000 HETATM 14 Ag -2.37128 -3.99217 0.23743 0 1 0 0.00000 HETATM 15 Ag -2.84498 -0.65598 3.88891 0 1 0 0.00000 HETATM 16 Ag -4.67438 -2.84964 -1.02498 0 1 0 0.00000 HETATM 17 Ag -2.30659 1.41649 -0.53022 0 1 0 0.00000 HETATM 18 Ag 0.00000 0.00280 -0.87262 0 1 0 0.00000 HETATM 19 Ag 0.00031 2.51294 -1.98865 0 1 0 0.00000 HETATM 20 Ag -2.36486 3.56777 1.30905 0 1 0 0.00000 HETATM 21 Ag 0.00068 5.14998 -2.66837 0 1 0 0.00000 HETATM 22 Ag -2.34722 3.99483 -1.54382 0 1 0 0.00000 HETATM 23 Ag -3.80378 1.11492 1.85964 0 1 0 0.00000 HETATM 24 Ag 2.30689 1.41593 -0.53011 0 1 0 0.00000 HETATM 25 Ag 0.00026 2.08103 0.97917 0 1 0 0.00000 HETATM 26 Ag 2.36576 3.56716 1.30921 0 1 0 0.00000 HETATM 27 Ag 2.34826 3.99433 -1.54377 0 1 0 0.00000 HETATM 28 Ag 0.00054 4.16176 2.80405 0 1 0 0.00000 HETATM 29 Ag -1.44411 1.78616 3.40257 0 1 0 0.00000 HETATM 30 Ag 0.00056 4.65179 0.00352 0 1 0 0.00000 HETATM 31 Ag -1.41555 -0.32580 1.55290 0 1 0 0.00000 HETATM 32 Ag 1.41546 -0.32618 1.55292 0 1 0 0.00000 HETATM 33 Ag -0.00011 -0.67146 3.96650 0 1 0 0.00000 HETATM 34 Ag 3.89139 1.72504 -2.72576 0 1 0 0.00000 HETATM 35 Ag 2.32344 -1.40743 -0.91717 0 1 0 0.00000 HETATM 36 Ag 1.44182 -2.87256 2.73463 0 1 0 0.00000 HETATM 37 Ag 3.80406 1.11393 1.85959 0 1 0 0.00000 HETATM 38 Ag 2.84478 -0.65674 3.88890 0 1 0 0.00000 HETATM 39 Ag 4.63806 2.84813 -0.25434 0 1 0 0.00000 HETATM 40 Ag 3.92937 -1.11200 -3.11066 0 1 0 0.00000 HETATM 41 Ag 1.44457 1.78582 3.40255 0 1 0 0.00000 HETATM 42 Ag 3.81233 -1.78270 1.46147 0 1 0 0.00000 HETATM 43 Ag 4.75601 -0.00279 -0.61443 0 1 0 0.00000 HETATM 44 Ag 2.37033 -3.99274 0.23740 0 1 0 0.00000 HETATM 45 Ag 4.67367 -2.85075 -1.02506 0 1 0 0.00000 HETATM 46 Ag -1.44244 -2.87215 2.73469 0 1 0 0.00000 HETATM 47 Ag -0.00060 -4.99062 1.46321 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 40 3 8 45 35 44 ORDER 1 1 1 1 1 1 1 CONECT 2 40 34 3 19 18 ORDER 2 1 1 1 1 1 CONECT 3 2 6 1 9 8 ORDER 3 1 1 1 1 1 CONECT 4 8 44 14 47 36 ORDER 4 1 1 1 1 1 CONECT 5 7 9 16 18 10 13 ORDER 5 1 1 1 1 1 1 CONECT 6 7 12 3 19 ORDER 6 1 1 1 1 CONECT 7 6 12 9 16 5 10 ORDER 7 1 1 1 1 1 1 CONECT 8 3 1 9 4 47 ORDER 8 1 1 1 1 1 CONECT 9 7 3 8 16 5 14 ORDER 9 1 1 1 1 1 1 CONECT 10 7 12 5 17 11 23 ORDER 10 1 1 1 1 1 1 CONECT 11 12 22 10 17 20 23 ORDER 11 1 1 1 1 1 1 CONECT 12 6 7 10 17 11 ORDER 12 1 1 1 1 1 CONECT 13 16 5 14 31 46 15 ORDER 13 1 1 1 1 1 1 CONECT 14 9 16 4 13 47 46 ORDER 14 1 1 1 1 1 1 CONECT 15 13 31 23 46 29 33 ORDER 15 1 1 1 1 1 1 CONECT 16 7 9 5 14 13 ORDER 16 1 1 1 1 1 CONECT 17 12 22 18 10 11 20 ORDER 17 1 1 1 1 1 1 CONECT 18 2 19 35 5 17 24 ORDER 18 1 1 1 1 1 1 CONECT 19 2 6 21 22 27 18 ORDER 19 1 1 1 1 1 1 CONECT 20 22 17 11 25 23 28 ORDER 20 1 1 1 1 1 1 CONECT 21 19 22 27 30 ORDER 21 1 1 1 1 CONECT 22 21 19 17 11 30 20 ORDER 22 1 1 1 1 1 1 CONECT 23 10 11 20 31 29 15 ORDER 23 1 1 1 1 1 1 CONECT 24 34 27 18 43 39 26 ORDER 24 1 1 1 1 1 1 CONECT 25 30 20 26 28 41 29 ORDER 25 1 1 1 1 1 1 CONECT 26 27 24 39 25 37 28 ORDER 26 1 1 1 1 1 1 CONECT 27 21 19 24 39 30 26 ORDER 27 1 1 1 1 1 1 CONECT 28 30 25 20 26 41 29 ORDER 28 1 1 1 1 1 1 CONECT 29 25 31 23 28 41 15 ORDER 29 1 1 1 1 1 1 CONECT 30 21 22 27 25 28 ORDER 30 1 1 1 1 1 CONECT 31 13 23 46 29 15 33 ORDER 31 1 1 1 1 1 1 CONECT 32 42 37 36 41 38 33 ORDER 32 1 1 1 1 1 1 CONECT 33 31 32 38 15 ORDER 33 1 1 1 1 CONECT 34 2 40 43 24 39 ORDER 34 1 1 1 1 1 CONECT 35 40 1 45 18 43 42 ORDER 35 1 1 1 1 1 1 CONECT 36 44 4 47 32 46 38 ORDER 36 1 1 1 1 1 1 CONECT 37 43 39 26 32 41 38 ORDER 37 1 1 1 1 1 1 CONECT 38 42 32 37 36 41 33 ORDER 38 1 1 1 1 1 1 CONECT 39 34 27 43 24 26 37 ORDER 39 1 1 1 1 1 1 CONECT 40 2 34 1 45 35 43 ORDER 40 1 1 1 1 1 1 CONECT 41 25 32 37 28 29 38 ORDER 41 1 1 1 1 1 1 CONECT 42 45 35 44 32 38 ORDER 42 1 1 1 1 1 CONECT 43 40 34 35 24 39 37 ORDER 43 1 1 1 1 1 1 CONECT 44 1 45 4 42 47 36 ORDER 44 1 1 1 1 1 1 CONECT 45 40 1 35 44 42 ORDER 45 1 1 1 1 1 CONECT 46 14 13 47 31 36 15 ORDER 46 1 1 1 1 1 1 CONECT 47 8 44 14 4 36 46 ORDER 47 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2150230.47 END BIOGRF 200 DESCRP S_3908 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -0.00019 1.57820 1.54553 0 1 0 0.00000 HETATM 2 Ag -2.35974 2.99312 2.09354 0 1 0 0.00000 HETATM 3 Ag -2.36941 3.97744 -0.62336 0 1 0 0.00000 HETATM 4 Ag -3.80717 0.48846 2.17970 0 1 0 0.00000 HETATM 5 Ag -1.47830 3.42052 -3.25799 0 1 0 0.00000 HETATM 6 Ag -0.00009 2.51984 -1.14232 0 1 0 0.00000 HETATM 7 Ag -0.00020 5.22601 -1.66852 0 1 0 0.00000 HETATM 8 Ag -0.00025 4.33301 1.02655 0 1 0 0.00000 HETATM 9 Ag -0.00027 3.30987 3.68591 0 1 0 0.00000 HETATM 10 Ag 2.31123 1.21532 -0.10851 0 1 0 0.00000 HETATM 11 Ag 2.36914 3.97769 -0.62320 0 1 0 0.00000 HETATM 12 Ag 2.35922 2.99335 2.09376 0 1 0 0.00000 HETATM 13 Ag 4.63756 2.57964 0.41081 0 1 0 0.00000 HETATM 14 Ag 3.81242 2.01329 -2.25846 0 1 0 0.00000 HETATM 15 Ag 1.47821 3.42072 -3.25779 0 1 0 0.00000 HETATM 16 Ag 1.45295 0.85865 3.84677 0 1 0 0.00000 HETATM 17 Ag -0.00009 -1.65622 3.93644 0 1 0 0.00000 HETATM 18 Ag -1.45328 0.85855 3.84671 0 1 0 0.00000 HETATM 19 Ag 2.85724 -1.62421 3.85995 0 1 0 0.00000 HETATM 20 Ag 3.80690 0.48871 2.17994 0 1 0 0.00000 HETATM 21 Ag -2.31139 1.21511 -0.10875 0 1 0 0.00000 HETATM 22 Ag -4.63787 2.57922 0.41045 0 1 0 0.00000 HETATM 23 Ag -4.74514 -0.13423 -0.48303 0 1 0 0.00000 HETATM 24 Ag -1.45638 0.63043 -2.90042 0 1 0 0.00000 HETATM 25 Ag -3.82288 -2.27736 1.25470 0 1 0 0.00000 HETATM 26 Ag -3.89233 -0.75901 -3.11424 0 1 0 0.00000 HETATM 27 Ag -2.31639 -1.49430 -1.00457 0 1 0 0.00000 HETATM 28 Ag -2.38995 -4.21054 -0.35301 0 1 0 0.00000 HETATM 29 Ag -4.67767 -2.85888 -1.39611 0 1 0 0.00000 HETATM 30 Ag -3.81251 2.01283 -2.25874 0 1 0 0.00000 HETATM 31 Ag -2.41804 -3.31757 -3.03614 0 1 0 0.00000 HETATM 32 Ag 0.00016 -1.88213 -2.82779 0 1 0 0.00000 HETATM 33 Ag 0.00017 -2.83795 0.04940 0 1 0 0.00000 HETATM 34 Ag -2.85732 -1.62441 3.85978 0 1 0 0.00000 HETATM 35 Ag 0.00000 -0.15662 -0.67133 0 1 0 0.00000 HETATM 36 Ag 1.45639 0.63059 -2.90028 0 1 0 0.00000 HETATM 37 Ag 2.41876 -3.31711 -3.03624 0 1 0 0.00000 HETATM 38 Ag 2.31652 -1.49398 -1.00452 0 1 0 0.00000 HETATM 39 Ag 0.00057 -4.54077 -2.07181 0 1 0 0.00000 HETATM 40 Ag 4.67810 -2.85839 -1.39591 0 1 0 0.00000 HETATM 41 Ag 3.89264 -0.75848 -3.11400 0 1 0 0.00000 HETATM 42 Ag -1.45848 -3.56759 2.32937 0 1 0 0.00000 HETATM 43 Ag 1.41958 -0.88101 1.62972 0 1 0 0.00000 HETATM 44 Ag 2.39048 -4.21027 -0.35307 0 1 0 0.00000 HETATM 45 Ag 1.45857 -3.56749 2.32940 0 1 0 0.00000 HETATM 46 Ag 3.82294 -2.27705 1.25481 0 1 0 0.00000 HETATM 47 Ag 4.74520 -0.13383 -0.48277 0 1 0 0.00000 HETATM 48 Ag -1.41960 -0.88115 1.62968 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 8 2 12 9 18 ORDER 1 1 1 1 1 1 CONECT 2 3 22 1 4 9 ORDER 2 1 1 1 1 1 CONECT 3 5 7 6 21 22 2 ORDER 3 1 1 1 1 1 1 CONECT 4 23 21 22 48 2 34 ORDER 4 1 1 1 1 1 1 CONECT 5 15 24 30 7 6 3 ORDER 5 1 1 1 1 1 1 CONECT 6 5 15 7 35 3 8 ORDER 6 1 1 1 1 1 1 CONECT 7 5 15 6 3 11 8 ORDER 7 1 1 1 1 1 1 CONECT 8 7 6 11 1 9 ORDER 8 1 1 1 1 1 CONECT 9 8 1 2 12 18 16 ORDER 9 1 1 1 1 1 1 CONECT 10 14 35 11 47 13 20 ORDER 10 1 1 1 1 1 1 CONECT 11 15 7 10 13 8 12 ORDER 11 1 1 1 1 1 1 CONECT 12 11 13 1 20 9 16 ORDER 12 1 1 1 1 1 1 CONECT 13 14 11 47 10 12 20 ORDER 13 1 1 1 1 1 1 CONECT 14 15 41 36 47 10 13 ORDER 14 1 1 1 1 1 1 CONECT 15 5 36 14 7 6 11 ORDER 15 1 1 1 1 1 1 CONECT 16 43 12 9 18 19 ORDER 16 1 1 1 1 1 CONECT 17 48 43 42 45 34 19 ORDER 17 1 1 1 1 1 1 CONECT 18 1 48 9 16 34 ORDER 18 1 1 1 1 1 CONECT 19 46 43 20 45 16 17 ORDER 19 1 1 1 1 1 1 CONECT 20 47 10 13 43 12 19 ORDER 20 1 1 1 1 1 1 CONECT 21 30 35 3 23 22 4 ORDER 21 1 1 1 1 1 1 CONECT 22 30 3 23 21 2 4 ORDER 22 1 1 1 1 1 1 CONECT 23 26 29 21 22 4 ORDER 23 1 1 1 1 1 CONECT 24 5 26 36 32 30 ORDER 24 1 1 1 1 1 CONECT 25 29 27 28 48 42 34 ORDER 25 1 1 1 1 1 1 CONECT 26 31 24 30 29 27 23 ORDER 26 1 1 1 1 1 1 CONECT 27 26 31 29 35 28 25 ORDER 27 1 1 1 1 1 1 CONECT 28 31 29 27 33 25 42 ORDER 28 1 1 1 1 1 1 CONECT 29 26 31 27 23 28 25 ORDER 29 1 1 1 1 1 1 CONECT 30 5 26 24 21 22 ORDER 30 1 1 1 1 1 CONECT 31 26 32 39 29 27 28 ORDER 31 1 1 1 1 1 1 CONECT 32 37 31 24 36 39 35 ORDER 32 1 1 1 1 1 1 CONECT 33 39 44 28 42 45 ORDER 33 1 1 1 1 1 CONECT 34 25 48 4 42 18 17 ORDER 34 1 1 1 1 1 1 CONECT 35 32 6 27 38 21 10 ORDER 35 1 1 1 1 1 1 CONECT 36 15 41 24 32 14 ORDER 36 1 1 1 1 1 CONECT 37 41 32 39 40 38 44 ORDER 37 1 1 1 1 1 1 CONECT 38 41 37 40 35 44 46 ORDER 38 1 1 1 1 1 1 CONECT 39 37 31 32 33 ORDER 39 1 1 1 1 CONECT 40 41 37 38 47 44 46 ORDER 40 1 1 1 1 1 1 CONECT 41 37 36 14 40 38 47 ORDER 41 1 1 1 1 1 1 CONECT 42 28 33 25 48 34 17 ORDER 42 1 1 1 1 1 1 CONECT 43 46 20 45 16 19 17 ORDER 43 1 1 1 1 1 1 CONECT 44 37 40 38 33 46 45 ORDER 44 1 1 1 1 1 1 CONECT 45 44 33 46 43 19 17 ORDER 45 1 1 1 1 1 1 CONECT 46 40 38 44 43 45 19 ORDER 46 1 1 1 1 1 1 CONECT 47 41 14 40 10 13 20 ORDER 47 1 1 1 1 1 1 CONECT 48 25 4 42 18 34 17 ORDER 48 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2195975.64 END BIOGRF 200 DESCRP S_4058 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -3.18969 2.14515 2.18501 0 1 0 0.00000 HETATM 2 Ag -0.26283 -3.83497 2.18493 0 1 0 0.00000 HETATM 3 Ag -1.09336 -1.22295 1.58849 0 1 0 0.00000 HETATM 4 Ag -2.19626 -2.45660 3.78721 0 1 0 0.00000 HETATM 5 Ag -1.37826 4.19106 1.16478 0 1 0 0.00000 HETATM 6 Ag -1.78638 -1.99814 -1.06632 0 1 0 0.00000 HETATM 7 Ag -0.97406 -4.64652 -0.49711 0 1 0 0.00000 HETATM 8 Ag -3.59784 -4.02448 -1.50037 0 1 0 0.00000 HETATM 9 Ag -3.78164 -0.68917 2.18502 0 1 0 0.00000 HETATM 10 Ag -2.94048 -3.28916 1.16476 0 1 0 0.00000 HETATM 11 Ag -4.50884 -1.48646 -0.49713 0 1 0 0.00000 HETATM 12 Ag -2.61448 0.54604 -0.07708 0 1 0 0.00000 HETATM 13 Ag -0.83727 2.54610 -1.06625 0 1 0 0.00000 HETATM 14 Ag -5.24344 1.09509 0.48825 0 1 0 0.00000 HETATM 15 Ag -4.30935 0.89998 -2.19970 0 1 0 0.00000 HETATM 16 Ag -1.32593 -3.70311 -3.14951 0 1 0 0.00000 HETATM 17 Ag -3.53211 -1.73083 -3.14951 0 1 0 0.00000 HETATM 18 Ag -2.54407 2.99986 -3.14951 0 1 0 0.00000 HETATM 19 Ag -1.68633 5.12804 -1.50038 0 1 0 0.00000 HETATM 20 Ag -3.53699 3.16692 -0.49706 0 1 0 0.00000 HETATM 21 Ag 0.26712 3.92435 -3.14949 0 1 0 0.00000 HETATM 22 Ag -1.64770 0.34408 -2.89410 0 1 0 0.00000 HETATM 23 Ag -0.00004 0.00003 -0.69452 0 1 0 0.00000 HETATM 24 Ag 0.52582 -1.59889 -2.89415 0 1 0 0.00000 HETATM 25 Ag -0.51248 1.55833 1.58856 0 1 0 0.00000 HETATM 26 Ag -1.64259 0.34303 3.86359 0 1 0 0.00000 HETATM 27 Ag -1.02941 3.13019 3.78730 0 1 0 0.00000 HETATM 28 Ag 0.96709 4.64801 -0.49705 0 1 0 0.00000 HETATM 29 Ag 3.86987 0.70338 -3.14955 0 1 0 0.00000 HETATM 30 Ag 2.93411 3.28195 -2.19968 0 1 0 0.00000 HETATM 31 Ag 1.78012 1.99119 -0.07706 0 1 0 0.00000 HETATM 32 Ag 3.45261 1.68977 2.18501 0 1 0 0.00000 HETATM 33 Ag 4.51112 1.47974 -0.49708 0 1 0 0.00000 HETATM 34 Ag 1.11839 1.25092 3.86362 0 1 0 0.00000 HETATM 35 Ag 1.29398 3.61954 2.18503 0 1 0 0.00000 HETATM 36 Ag 4.31876 -0.90198 1.16470 0 1 0 0.00000 HETATM 37 Ag 3.57012 3.99341 0.48823 0 1 0 0.00000 HETATM 38 Ag 1.60586 -0.33537 1.58849 0 1 0 0.00000 HETATM 39 Ag 3.26497 -2.19346 -3.14956 0 1 0 0.00000 HETATM 40 Ag 2.62363 -0.54797 -1.06627 0 1 0 0.00000 HETATM 41 Ag 3.22563 -0.67370 3.78723 0 1 0 0.00000 HETATM 42 Ag 3.54183 -3.16155 -0.49712 0 1 0 0.00000 HETATM 43 Ag 5.28417 -1.10357 -1.50035 0 1 0 0.00000 HETATM 44 Ag 0.83437 -2.53723 -0.07712 0 1 0 0.00000 HETATM 45 Ag 2.48766 -2.93042 2.18494 0 1 0 0.00000 HETATM 46 Ag 1.37524 -4.18191 -2.19977 0 1 0 0.00000 HETATM 47 Ag 1.67335 -5.08849 0.48823 0 1 0 0.00000 HETATM 48 Ag 1.12181 1.25495 -2.89413 0 1 0 0.00000 HETATM 49 Ag 0.52420 -1.59414 3.86354 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 20 12 14 25 9 27 ORDER 1 1 1 1 1 1 1 CONECT 2 7 44 47 3 45 4 ORDER 2 1 1 1 1 1 1 CONECT 3 10 2 9 4 26 ORDER 3 1 1 1 1 1 CONECT 4 10 3 2 9 49 26 ORDER 4 1 1 1 1 1 1 CONECT 5 19 13 20 25 27 ORDER 5 1 1 1 1 1 CONECT 6 17 16 8 23 11 10 ORDER 6 1 1 1 1 1 1 CONECT 7 16 8 44 47 10 2 ORDER 7 1 1 1 1 1 1 CONECT 8 17 16 6 11 7 10 ORDER 8 1 1 1 1 1 1 CONECT 9 11 14 3 1 4 ORDER 9 1 1 1 1 1 CONECT 10 8 6 7 3 4 ORDER 10 1 1 1 1 1 CONECT 11 17 8 6 12 14 9 ORDER 11 1 1 1 1 1 1 CONECT 12 15 23 11 20 14 1 ORDER 12 1 1 1 1 1 1 CONECT 13 18 21 19 23 28 5 ORDER 13 1 1 1 1 1 1 CONECT 14 15 11 20 12 1 9 ORDER 14 1 1 1 1 1 1 CONECT 15 17 18 22 12 14 ORDER 15 1 1 1 1 1 CONECT 16 17 24 46 8 6 7 ORDER 16 1 1 1 1 1 1 CONECT 17 16 22 15 8 6 11 ORDER 17 1 1 1 1 1 1 CONECT 18 21 22 15 19 13 20 ORDER 18 1 1 1 1 1 1 CONECT 19 18 21 13 20 28 5 ORDER 19 1 1 1 1 1 1 CONECT 20 18 19 12 14 5 1 ORDER 20 1 1 1 1 1 1 CONECT 21 18 48 30 19 13 28 ORDER 21 1 1 1 1 1 1 CONECT 22 17 18 24 48 15 ORDER 22 1 1 1 1 1 CONECT 23 6 40 13 44 12 31 ORDER 23 1 1 1 1 1 1 CONECT 24 39 16 48 22 46 ORDER 24 1 1 1 1 1 CONECT 25 5 1 35 27 26 34 ORDER 25 1 1 1 1 1 1 CONECT 26 3 25 4 27 49 34 ORDER 26 1 1 1 1 1 1 CONECT 27 5 25 1 35 26 34 ORDER 27 1 1 1 1 1 1 CONECT 28 21 19 13 31 37 35 ORDER 28 1 1 1 1 1 1 CONECT 29 39 48 30 43 40 33 ORDER 29 1 1 1 1 1 1 CONECT 30 29 21 48 31 37 ORDER 30 1 1 1 1 1 CONECT 31 30 23 33 28 37 35 ORDER 31 1 1 1 1 1 1 CONECT 32 33 37 38 35 41 ORDER 32 1 1 1 1 1 CONECT 33 29 43 31 37 32 ORDER 33 1 1 1 1 1 CONECT 34 38 25 41 27 49 26 ORDER 34 1 1 1 1 1 1 CONECT 35 28 31 37 25 32 27 ORDER 35 1 1 1 1 1 1 CONECT 36 43 40 38 41 ORDER 36 1 1 1 1 CONECT 37 30 33 28 31 32 35 ORDER 37 1 1 1 1 1 1 CONECT 38 36 45 32 41 49 34 ORDER 38 1 1 1 1 1 1 CONECT 39 29 24 46 43 40 42 ORDER 39 1 1 1 1 1 1 CONECT 40 39 29 43 23 42 36 ORDER 40 1 1 1 1 1 1 CONECT 41 36 38 45 32 49 34 ORDER 41 1 1 1 1 1 1 CONECT 42 39 43 40 44 47 45 ORDER 42 1 1 1 1 1 1 CONECT 43 39 29 40 42 33 36 ORDER 43 1 1 1 1 1 1 CONECT 44 46 23 42 7 47 2 ORDER 44 1 1 1 1 1 1 CONECT 45 42 47 38 2 41 49 ORDER 45 1 1 1 1 1 1 CONECT 46 39 16 24 44 47 ORDER 46 1 1 1 1 1 CONECT 47 46 42 7 44 2 45 ORDER 47 1 1 1 1 1 1 CONECT 48 29 21 24 22 30 ORDER 48 1 1 1 1 1 CONECT 49 38 45 4 41 26 34 ORDER 49 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2241732.10 END BIOGRF 200 DESCRP S_4211 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 4.19834 -0.00074 1.70158 0 1 0 0.00000 HETATM 2 Ag 2.81999 -0.00040 4.20040 0 1 0 0.00000 HETATM 3 Ag 1.41433 -0.00015 1.82915 0 1 0 0.00000 HETATM 4 Ag 1.28589 2.31401 0.15817 0 1 0 0.00000 HETATM 5 Ag 2.55424 4.64274 0.87802 0 1 0 0.00000 HETATM 6 Ag 2.72774 2.36134 2.59430 0 1 0 0.00000 HETATM 7 Ag 4.08574 2.37155 0.04931 0 1 0 0.00000 HETATM 8 Ag 2.36504 3.84412 -1.84523 0 1 0 0.00000 HETATM 9 Ag -1.27142 2.32755 -1.11003 0 1 0 0.00000 HETATM 10 Ag -2.79483 2.42154 -3.37124 0 1 0 0.00000 HETATM 11 Ag -0.26404 3.93099 -3.08792 0 1 0 0.00000 HETATM 12 Ag -2.58621 4.68020 -1.67892 0 1 0 0.00000 HETATM 13 Ag -0.00945 4.75283 -0.38874 0 1 0 0.00000 HETATM 14 Ag 0.23369 3.80575 2.32513 0 1 0 0.00000 HETATM 15 Ag -1.03735 1.41944 1.57918 0 1 0 0.00000 HETATM 16 Ag -2.37615 3.82006 1.01861 0 1 0 0.00000 HETATM 17 Ag -4.08653 2.37650 -0.84568 0 1 0 0.00000 HETATM 18 Ag -2.09790 2.84955 3.68140 0 1 0 0.00000 HETATM 19 Ag -2.13737 0.00048 3.75044 0 1 0 0.00000 HETATM 20 Ag 0.36784 -1.44828 4.01624 0 1 0 0.00000 HETATM 21 Ag 0.36835 1.44833 4.01620 0 1 0 0.00000 HETATM 22 Ag -3.82787 -1.44505 1.87847 0 1 0 0.00000 HETATM 23 Ag -3.82739 1.44643 1.87845 0 1 0 0.00000 HETATM 24 Ag -5.42952 0.00096 -0.00401 0 1 0 0.00000 HETATM 25 Ag -2.69698 0.00047 -0.27725 0 1 0 0.00000 HETATM 26 Ag 1.28503 -2.31444 0.15820 0 1 0 0.00000 HETATM 27 Ag 0.02469 -0.00001 -0.60856 0 1 0 0.00000 HETATM 28 Ag 2.36359 -3.84500 -1.84510 0 1 0 0.00000 HETATM 29 Ag -0.26544 -3.93102 -3.08779 0 1 0 0.00000 HETATM 30 Ag -4.08741 -2.37508 -0.84564 0 1 0 0.00000 HETATM 31 Ag -2.79577 -2.42065 -3.37120 0 1 0 0.00000 HETATM 32 Ag 3.95527 1.54544 -2.65644 0 1 0 0.00000 HETATM 33 Ag 1.08499 -1.49259 -2.69809 0 1 0 0.00000 HETATM 34 Ag 2.73014 -0.00048 -0.74261 0 1 0 0.00000 HETATM 35 Ag -1.40919 0.00023 -2.97574 0 1 0 0.00000 HETATM 36 Ag 1.08551 1.49211 -2.69811 0 1 0 0.00000 HETATM 37 Ag -2.58783 -4.67931 -1.67892 0 1 0 0.00000 HETATM 38 Ag -2.37746 -3.81928 1.01870 0 1 0 0.00000 HETATM 39 Ag -0.01111 -4.75286 -0.38864 0 1 0 0.00000 HETATM 40 Ag -4.18710 0.00072 -2.57373 0 1 0 0.00000 HETATM 41 Ag 4.08492 -2.37298 0.04931 0 1 0 0.00000 HETATM 42 Ag 3.95467 -1.54695 -2.65638 0 1 0 0.00000 HETATM 43 Ag 2.59423 -0.00049 -4.46875 0 1 0 0.00000 HETATM 44 Ag 5.47730 -0.00094 -0.82498 0 1 0 0.00000 HETATM 45 Ag -1.03791 -1.41908 1.57922 0 1 0 0.00000 HETATM 46 Ag -2.09886 -2.84869 3.68146 0 1 0 0.00000 HETATM 47 Ag -1.27220 -2.32714 -1.11004 0 1 0 0.00000 HETATM 48 Ag 0.23231 -3.80577 2.32523 0 1 0 0.00000 HETATM 49 Ag 2.55260 -4.64366 0.87819 0 1 0 0.00000 HETATM 50 Ag 2.72686 -2.36232 2.59437 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 44 3 2 ORDER 1 1 1 1 CONECT 2 1 3 6 50 21 20 ORDER 2 1 1 1 1 1 1 CONECT 3 1 6 50 21 2 ORDER 3 1 1 1 1 1 CONECT 4 8 27 13 7 5 6 ORDER 4 1 1 1 1 1 1 CONECT 5 8 13 7 4 14 6 ORDER 5 1 1 1 1 1 1 CONECT 6 7 4 5 3 14 2 ORDER 6 1 1 1 1 1 1 CONECT 7 32 44 34 4 5 6 ORDER 7 1 1 1 1 1 1 CONECT 8 11 36 32 4 5 ORDER 8 1 1 1 1 1 CONECT 9 10 11 12 27 13 16 ORDER 9 1 1 1 1 1 1 CONECT 10 11 35 40 12 9 17 ORDER 10 1 1 1 1 1 1 CONECT 11 10 36 8 12 9 13 ORDER 11 1 1 1 1 1 1 CONECT 12 10 11 9 17 13 16 ORDER 12 1 1 1 1 1 1 CONECT 13 11 12 9 4 5 14 ORDER 13 1 1 1 1 1 1 CONECT 14 13 5 15 6 18 21 ORDER 14 1 1 1 1 1 1 CONECT 15 16 23 14 18 21 ORDER 15 1 1 1 1 1 CONECT 16 12 9 17 15 18 ORDER 16 1 1 1 1 1 CONECT 17 10 12 25 24 16 23 ORDER 17 1 1 1 1 1 1 CONECT 18 16 15 23 14 19 21 ORDER 18 1 1 1 1 1 1 CONECT 19 45 18 46 ORDER 19 1 1 1 CONECT 20 45 48 46 21 2 ORDER 20 1 1 1 1 1 CONECT 21 15 3 14 18 20 2 ORDER 21 1 1 1 1 1 1 CONECT 22 30 25 24 45 23 46 ORDER 22 1 1 1 1 1 1 CONECT 23 17 24 15 22 18 ORDER 23 1 1 1 1 1 CONECT 24 40 17 30 25 23 22 ORDER 24 1 1 1 1 1 1 CONECT 25 40 17 30 27 24 22 ORDER 25 1 1 1 1 1 1 CONECT 26 28 27 39 41 49 50 ORDER 26 1 1 1 1 1 1 CONECT 27 47 9 34 25 4 26 ORDER 27 1 1 1 1 1 1 CONECT 28 29 33 42 26 49 ORDER 28 1 1 1 1 1 CONECT 29 31 33 28 37 47 39 ORDER 29 1 1 1 1 1 1 CONECT 30 31 37 25 24 22 ORDER 30 1 1 1 1 1 CONECT 31 29 35 40 37 47 30 ORDER 31 1 1 1 1 1 1 CONECT 32 43 36 8 44 34 7 ORDER 32 1 1 1 1 1 1 CONECT 33 43 29 35 42 28 ORDER 33 1 1 1 1 1 CONECT 34 32 42 44 27 41 7 ORDER 34 1 1 1 1 1 1 CONECT 35 10 31 36 33 40 ORDER 35 1 1 1 1 1 CONECT 36 43 11 35 32 8 ORDER 36 1 1 1 1 1 CONECT 37 31 29 47 30 39 38 ORDER 37 1 1 1 1 1 1 CONECT 38 37 47 45 46 ORDER 38 1 1 1 1 CONECT 39 29 37 47 26 49 48 ORDER 39 1 1 1 1 1 1 CONECT 40 10 31 35 25 24 ORDER 40 1 1 1 1 1 CONECT 41 42 44 34 26 49 50 ORDER 41 1 1 1 1 1 1 CONECT 42 43 33 28 44 34 41 ORDER 42 1 1 1 1 1 1 CONECT 43 36 33 32 42 ORDER 43 1 1 1 1 CONECT 44 32 42 34 41 7 1 ORDER 44 1 1 1 1 1 1 CONECT 45 38 22 48 46 19 20 ORDER 45 1 1 1 1 1 1 CONECT 46 38 45 22 48 19 20 ORDER 46 1 1 1 1 1 1 CONECT 47 31 29 37 27 39 38 ORDER 47 1 1 1 1 1 1 CONECT 48 39 49 45 50 46 20 ORDER 48 1 1 1 1 1 1 CONECT 49 28 39 41 26 48 50 ORDER 49 1 1 1 1 1 1 CONECT 50 41 26 49 3 48 2 ORDER 50 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2287480.71 END BIOGRF 200 DESCRP S_4367 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.26421 5.20165 0.03066 0 1 0 0.00000 HETATM 2 Ag -1.48551 4.39825 -0.06496 0 1 0 0.00000 HETATM 3 Ag -2.10127 1.66440 -0.24270 0 1 0 0.00000 HETATM 4 Ag 0.23058 4.10711 -2.39238 0 1 0 0.00000 HETATM 5 Ag -2.58842 3.19413 -2.46955 0 1 0 0.00000 HETATM 6 Ag -2.86344 0.73814 -3.98987 0 1 0 0.00000 HETATM 7 Ag -4.18628 3.43702 -0.11820 0 1 0 0.00000 HETATM 8 Ag -0.44499 1.40948 -2.70919 0 1 0 0.00000 HETATM 9 Ag -2.25931 -0.74524 -1.76781 0 1 0 0.00000 HETATM 10 Ag -1.95477 -2.05540 -4.15097 0 1 0 0.00000 HETATM 11 Ag -4.53001 -1.39475 -3.18424 0 1 0 0.00000 HETATM 12 Ag -4.44445 1.04608 -1.66091 0 1 0 0.00000 HETATM 13 Ag 0.62159 2.54400 -0.16878 0 1 0 0.00000 HETATM 14 Ag 0.15667 3.85164 2.28844 0 1 0 0.00000 HETATM 15 Ag -0.48468 1.13322 2.06780 0 1 0 0.00000 HETATM 16 Ag -0.94855 2.36993 4.47519 0 1 0 0.00000 HETATM 17 Ag -2.23630 -0.88739 1.08112 0 1 0 0.00000 HETATM 18 Ag -2.60699 2.95737 2.21361 0 1 0 0.00000 HETATM 19 Ag -4.55533 -1.55726 -0.34663 0 1 0 0.00000 HETATM 20 Ag -2.94487 -3.56562 0.99438 0 1 0 0.00000 HETATM 21 Ag -4.45240 -1.67217 2.50103 0 1 0 0.00000 HETATM 22 Ag -4.39273 0.90120 1.22323 0 1 0 0.00000 HETATM 23 Ag -2.74299 0.35588 3.55185 0 1 0 0.00000 HETATM 24 Ag -2.98477 -3.43442 -1.91191 0 1 0 0.00000 HETATM 25 Ag -0.20826 -3.96095 -2.89027 0 1 0 0.00000 HETATM 26 Ag -0.68775 -2.78946 -0.47860 0 1 0 0.00000 HETATM 27 Ag -0.02741 -0.10770 -0.39243 0 1 0 0.00000 HETATM 28 Ag 0.39790 -1.58351 1.91816 0 1 0 0.00000 HETATM 29 Ag -1.84067 -2.42225 3.40297 0 1 0 0.00000 HETATM 30 Ag -0.23555 -4.28152 1.83595 0 1 0 0.00000 HETATM 31 Ag 2.63293 -0.97568 3.51778 0 1 0 0.00000 HETATM 32 Ag -0.06160 -0.36092 4.41283 0 1 0 0.00000 HETATM 33 Ag 4.42451 -1.05977 -1.70835 0 1 0 0.00000 HETATM 34 Ag 1.72839 1.80219 3.67127 0 1 0 0.00000 HETATM 35 Ag 0.82823 -3.08007 4.18112 0 1 0 0.00000 HETATM 36 Ag 2.52270 -3.40947 1.88840 0 1 0 0.00000 HETATM 37 Ag 1.46736 -4.55296 -0.56315 0 1 0 0.00000 HETATM 38 Ag 2.16296 0.53786 1.19873 0 1 0 0.00000 HETATM 39 Ag 4.32017 -1.24938 1.17032 0 1 0 0.00000 HETATM 40 Ag 4.34948 1.16762 2.73161 0 1 0 0.00000 HETATM 41 Ag 2.05349 -1.84693 -0.41273 0 1 0 0.00000 HETATM 42 Ag 2.58671 -3.09213 -2.79815 0 1 0 0.00000 HETATM 43 Ag 4.14919 -3.61185 -0.45861 0 1 0 0.00000 HETATM 44 Ag 2.89017 -0.48059 -4.02000 0 1 0 0.00000 HETATM 45 Ag 1.96871 2.30716 -3.86054 0 1 0 0.00000 HETATM 46 Ag 2.23690 0.72088 -1.64634 0 1 0 0.00000 HETATM 47 Ag 2.85384 3.24615 1.41848 0 1 0 0.00000 HETATM 48 Ag 4.50142 1.37595 -0.10180 0 1 0 0.00000 HETATM 49 Ag 4.52762 1.54493 -2.93459 0 1 0 0.00000 HETATM 50 Ag 0.44290 -1.28135 -2.87158 0 1 0 0.00000 HETATM 51 Ag 2.95065 3.44650 -1.45966 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 4 51 13 2 47 14 ORDER 1 1 1 1 1 1 1 CONECT 2 5 4 3 13 7 1 ORDER 2 1 1 1 1 1 1 CONECT 3 5 12 27 7 2 18 ORDER 3 1 1 1 1 1 1 CONECT 4 45 8 13 2 1 ORDER 4 1 1 1 1 1 CONECT 5 6 8 3 7 2 ORDER 5 1 1 1 1 1 CONECT 6 10 11 8 5 9 12 ORDER 6 1 1 1 1 1 1 CONECT 7 5 12 3 2 22 18 ORDER 7 1 1 1 1 1 1 CONECT 8 6 45 50 5 4 ORDER 8 1 1 1 1 1 CONECT 9 10 6 11 24 27 19 ORDER 9 1 1 1 1 1 1 CONECT 10 6 11 25 50 24 9 ORDER 10 1 1 1 1 1 1 CONECT 11 10 6 24 9 12 19 ORDER 11 1 1 1 1 1 1 CONECT 12 6 11 3 7 22 ORDER 12 1 1 1 1 1 CONECT 13 4 51 27 2 1 14 ORDER 13 1 1 1 1 1 1 CONECT 14 13 1 47 15 18 16 ORDER 14 1 1 1 1 1 1 CONECT 15 18 14 23 32 16 ORDER 15 1 1 1 1 1 CONECT 16 15 18 14 23 34 32 ORDER 16 1 1 1 1 1 1 CONECT 17 19 20 22 21 29 ORDER 17 1 1 1 1 1 CONECT 18 3 7 22 15 14 16 ORDER 18 1 1 1 1 1 1 CONECT 19 11 24 9 20 17 21 ORDER 19 1 1 1 1 1 1 CONECT 20 24 26 19 17 21 29 ORDER 20 1 1 1 1 1 1 CONECT 21 19 20 17 22 29 23 ORDER 21 1 1 1 1 1 1 CONECT 22 12 7 17 18 21 23 ORDER 22 1 1 1 1 1 1 CONECT 23 22 15 21 16 ORDER 23 1 1 1 1 CONECT 24 10 11 9 26 19 20 ORDER 24 1 1 1 1 1 1 CONECT 25 10 50 42 37 26 ORDER 25 1 1 1 1 1 CONECT 26 25 24 37 27 20 30 ORDER 26 1 1 1 1 1 1 CONECT 27 9 46 26 41 3 13 ORDER 27 1 1 1 1 1 1 CONECT 28 30 36 29 31 35 32 ORDER 28 1 1 1 1 1 1 CONECT 29 20 17 28 21 35 32 ORDER 29 1 1 1 1 1 1 CONECT 30 37 26 36 28 35 ORDER 30 1 1 1 1 1 CONECT 31 38 28 40 35 ORDER 31 1 1 1 1 CONECT 32 28 15 29 34 35 16 ORDER 32 1 1 1 1 1 1 CONECT 33 44 49 46 43 41 39 ORDER 33 1 1 1 1 1 1 CONECT 34 38 47 40 32 16 ORDER 34 1 1 1 1 1 CONECT 35 30 36 28 29 31 32 ORDER 35 1 1 1 1 1 1 CONECT 36 43 41 39 30 28 35 ORDER 36 1 1 1 1 1 1 CONECT 37 25 42 26 43 41 30 ORDER 37 1 1 1 1 1 1 CONECT 38 48 39 47 40 31 34 ORDER 38 1 1 1 1 1 1 CONECT 39 33 43 38 36 40 ORDER 39 1 1 1 1 1 CONECT 40 48 39 38 47 31 34 ORDER 40 1 1 1 1 1 1 CONECT 41 42 33 37 43 27 36 ORDER 41 1 1 1 1 1 1 CONECT 42 44 25 50 37 43 41 ORDER 42 1 1 1 1 1 1 CONECT 43 42 33 37 41 39 36 ORDER 43 1 1 1 1 1 1 CONECT 44 45 49 50 42 33 46 ORDER 44 1 1 1 1 1 1 CONECT 45 44 49 8 4 46 51 ORDER 45 1 1 1 1 1 1 CONECT 46 44 45 49 33 27 48 ORDER 46 1 1 1 1 1 1 CONECT 47 51 1 38 14 40 34 ORDER 47 1 1 1 1 1 1 CONECT 48 49 46 51 38 40 ORDER 48 1 1 1 1 1 CONECT 49 44 45 33 46 51 48 ORDER 49 1 1 1 1 1 1 CONECT 50 10 44 25 42 8 ORDER 50 1 1 1 1 1 CONECT 51 45 49 13 48 1 47 ORDER 51 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2333229.96 END BIOGRF 200 DESCRP S_4526 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -2.31454 -0.00003 1.15465 0 1 0 0.00000 HETATM 2 Ag -4.62541 -0.00012 2.62961 0 1 0 0.00000 HETATM 3 Ag 0.00001 0.00002 -0.38167 0 1 0 0.00000 HETATM 4 Ag -2.35154 -1.46330 3.55285 0 1 0 0.00000 HETATM 5 Ag -2.35160 1.46305 3.55292 0 1 0 0.00000 HETATM 6 Ag -0.00002 1.43042 2.01014 0 1 0 0.00000 HETATM 7 Ag -0.00009 2.87130 4.34504 0 1 0 0.00000 HETATM 8 Ag -0.00005 -1.43048 2.01012 0 1 0 0.00000 HETATM 9 Ag 0.00002 -2.87149 4.34496 0 1 0 0.00000 HETATM 10 Ag 4.76085 0.00004 -0.21335 0 1 0 0.00000 HETATM 11 Ag 2.31455 0.00004 1.15466 0 1 0 0.00000 HETATM 12 Ag -0.00010 -0.00006 4.43263 0 1 0 0.00000 HETATM 13 Ag 1.45391 -3.82470 2.06732 0 1 0 0.00000 HETATM 14 Ag 2.35145 -1.46325 3.55293 0 1 0 0.00000 HETATM 15 Ag 3.89221 2.37616 -1.67538 0 1 0 0.00000 HETATM 16 Ag -2.86761 4.64676 -0.27603 0 1 0 0.00000 HETATM 17 Ag -1.43450 2.31571 -0.31427 0 1 0 0.00000 HETATM 18 Ag -0.00007 4.72859 -0.30111 0 1 0 0.00000 HETATM 19 Ag -1.45388 3.82465 2.06737 0 1 0 0.00000 HETATM 20 Ag 1.45388 3.82466 2.06745 0 1 0 0.00000 HETATM 21 Ag 1.48195 3.79491 -2.62339 0 1 0 0.00000 HETATM 22 Ag 1.43439 2.31578 -0.31428 0 1 0 0.00000 HETATM 23 Ag 2.86752 4.64677 -0.27594 0 1 0 0.00000 HETATM 24 Ag 3.81173 2.36930 1.21132 0 1 0 0.00000 HETATM 25 Ag 4.62537 -0.00002 2.62970 0 1 0 0.00000 HETATM 26 Ag -3.81183 2.36919 1.21128 0 1 0 0.00000 HETATM 27 Ag 2.35143 1.46319 3.55296 0 1 0 0.00000 HETATM 28 Ag -3.81186 -2.36932 1.21118 0 1 0 0.00000 HETATM 29 Ag -2.36758 0.00003 -1.69952 0 1 0 0.00000 HETATM 30 Ag -3.89217 2.37612 -1.67546 0 1 0 0.00000 HETATM 31 Ag -4.76311 0.00005 -3.05240 0 1 0 0.00000 HETATM 32 Ag -1.48195 3.79492 -2.62336 0 1 0 0.00000 HETATM 33 Ag -2.54551 -1.47229 -3.99899 0 1 0 0.00000 HETATM 34 Ag 0.00007 1.42358 -2.78513 0 1 0 0.00000 HETATM 35 Ag -2.54553 1.47247 -3.99893 0 1 0 0.00000 HETATM 36 Ag -4.76083 -0.00005 -0.21347 0 1 0 0.00000 HETATM 37 Ag 4.76323 0.00006 -3.05230 0 1 0 0.00000 HETATM 38 Ag 1.43447 -2.31571 -0.31431 0 1 0 0.00000 HETATM 39 Ag 2.54558 1.47245 -3.99892 0 1 0 0.00000 HETATM 40 Ag -1.43438 -2.31570 -0.31435 0 1 0 0.00000 HETATM 41 Ag -1.48188 -3.79483 -2.62344 0 1 0 0.00000 HETATM 42 Ag 2.36762 0.00002 -1.69948 0 1 0 0.00000 HETATM 43 Ag 3.81179 -2.36922 1.21128 0 1 0 0.00000 HETATM 44 Ag -1.45385 -3.82471 2.06725 0 1 0 0.00000 HETATM 45 Ag 3.89221 -2.37608 -1.67539 0 1 0 0.00000 HETATM 46 Ag 1.48202 -3.79484 -2.62347 0 1 0 0.00000 HETATM 47 Ag 2.86763 -4.64671 -0.27612 0 1 0 0.00000 HETATM 48 Ag -2.86754 -4.64681 -0.27616 0 1 0 0.00000 HETATM 49 Ag -0.00001 -4.72859 -0.30131 0 1 0 0.00000 HETATM 50 Ag 0.00002 -1.42345 -2.78520 0 1 0 0.00000 HETATM 51 Ag -3.89214 -2.37618 -1.67554 0 1 0 0.00000 HETATM 52 Ag 2.54567 -1.47232 -3.99892 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 36 28 26 2 5 ORDER 1 1 1 1 1 1 CONECT 2 36 1 28 26 4 5 ORDER 2 1 1 1 1 1 1 CONECT 3 29 42 40 38 22 17 ORDER 3 1 1 1 1 1 1 CONECT 4 8 2 9 12 ORDER 4 1 1 1 1 CONECT 5 1 26 6 2 7 12 ORDER 5 1 1 1 1 1 1 CONECT 6 19 20 5 27 7 12 ORDER 6 1 1 1 1 1 1 CONECT 7 6 19 20 5 27 12 ORDER 7 1 1 1 1 1 1 CONECT 8 44 13 4 14 9 12 ORDER 8 1 1 1 1 1 1 CONECT 9 8 44 13 4 14 12 ORDER 9 1 1 1 1 1 1 CONECT 10 37 42 11 25 ORDER 10 1 1 1 1 CONECT 11 10 43 24 25 14 27 ORDER 11 1 1 1 1 1 1 CONECT 12 8 6 4 5 9 7 ORDER 12 1 1 1 1 1 1 CONECT 13 38 47 43 8 44 9 ORDER 13 1 1 1 1 1 1 CONECT 14 11 43 8 25 27 9 ORDER 14 1 1 1 1 1 1 CONECT 15 39 37 22 23 24 ORDER 15 1 1 1 1 1 CONECT 16 32 30 17 18 26 19 ORDER 16 1 1 1 1 1 1 CONECT 17 32 30 3 18 16 19 ORDER 17 1 1 1 1 1 1 CONECT 18 21 32 22 17 16 23 ORDER 18 1 1 1 1 1 1 CONECT 19 17 16 26 6 20 7 ORDER 19 1 1 1 1 1 1 CONECT 20 22 23 24 6 19 7 ORDER 20 1 1 1 1 1 1 CONECT 21 39 34 32 22 18 23 ORDER 21 1 1 1 1 1 1 CONECT 22 21 15 3 18 23 20 ORDER 22 1 1 1 1 1 1 CONECT 23 21 15 22 18 24 20 ORDER 23 1 1 1 1 1 1 CONECT 24 15 23 11 20 25 27 ORDER 24 1 1 1 1 1 1 CONECT 25 10 11 43 24 14 27 ORDER 25 1 1 1 1 1 1 CONECT 26 30 16 1 19 2 5 ORDER 26 1 1 1 1 1 1 CONECT 27 11 24 6 25 14 7 ORDER 27 1 1 1 1 1 1 CONECT 28 51 48 1 44 2 ORDER 28 1 1 1 1 1 CONECT 29 33 35 31 30 3 36 ORDER 29 1 1 1 1 1 1 CONECT 30 35 31 29 17 16 26 ORDER 30 1 1 1 1 1 1 CONECT 31 33 35 29 51 30 36 ORDER 31 1 1 1 1 1 1 CONECT 32 35 34 21 17 18 16 ORDER 32 1 1 1 1 1 1 CONECT 33 35 31 50 41 29 51 ORDER 33 1 1 1 1 1 1 CONECT 34 35 39 50 21 32 ORDER 34 1 1 1 1 1 CONECT 35 33 31 34 32 29 30 ORDER 35 1 1 1 1 1 1 CONECT 36 31 29 51 1 2 ORDER 36 1 1 1 1 1 CONECT 37 52 39 42 45 15 10 ORDER 37 1 1 1 1 1 1 CONECT 38 46 45 3 49 47 13 ORDER 38 1 1 1 1 1 1 CONECT 39 52 37 34 21 42 15 ORDER 39 1 1 1 1 1 1 CONECT 40 41 51 3 49 48 44 ORDER 40 1 1 1 1 1 1 CONECT 41 33 50 40 49 48 ORDER 41 1 1 1 1 1 CONECT 42 52 39 37 45 3 10 ORDER 42 1 1 1 1 1 1 CONECT 43 45 47 11 13 25 14 ORDER 43 1 1 1 1 1 1 CONECT 44 40 48 28 8 13 9 ORDER 44 1 1 1 1 1 1 CONECT 45 52 37 42 38 47 43 ORDER 45 1 1 1 1 1 1 CONECT 46 52 50 38 49 47 ORDER 46 1 1 1 1 1 CONECT 47 46 45 38 49 43 13 ORDER 47 1 1 1 1 1 1 CONECT 48 41 51 40 49 28 44 ORDER 48 1 1 1 1 1 1 CONECT 49 46 41 40 38 48 47 ORDER 49 1 1 1 1 1 1 CONECT 50 33 52 34 46 41 ORDER 50 1 1 1 1 1 CONECT 51 33 31 40 48 36 28 ORDER 51 1 1 1 1 1 1 CONECT 52 39 37 50 46 42 45 ORDER 52 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2378987.36 END BIOGRF 200 DESCRP S_4688 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 2.39536 1.44320 -3.98575 0 1 0 0.00000 HETATM 2 Ag 0.00004 -0.00006 -0.22231 0 1 0 0.00000 HETATM 3 Ag 2.87658 4.64743 -0.16528 0 1 0 0.00000 HETATM 4 Ag 1.43704 2.32583 -0.18320 0 1 0 0.00000 HETATM 5 Ag 1.47938 3.83355 -2.50521 0 1 0 0.00000 HETATM 6 Ag -2.32561 0.00009 -1.62315 0 1 0 0.00000 HETATM 7 Ag -2.39508 -1.44361 -3.98572 0 1 0 0.00000 HETATM 8 Ag -3.83462 -2.36779 -1.63571 0 1 0 0.00000 HETATM 9 Ag -3.82808 2.36574 1.28656 0 1 0 0.00000 HETATM 10 Ag -1.43674 2.32605 -0.18323 0 1 0 0.00000 HETATM 11 Ag -1.46154 3.82632 2.18882 0 1 0 0.00000 HETATM 12 Ag -2.87587 4.64786 -0.16548 0 1 0 0.00000 HETATM 13 Ag 1.46191 3.82611 2.18886 0 1 0 0.00000 HETATM 14 Ag 0.00025 1.47630 -2.56463 0 1 0 0.00000 HETATM 15 Ag -1.47864 3.83374 -2.50535 0 1 0 0.00000 HETATM 16 Ag 0.00036 4.73609 -0.17270 0 1 0 0.00000 HETATM 17 Ag -4.66430 0.00018 -3.03818 0 1 0 0.00000 HETATM 18 Ag -2.39492 1.44356 -3.98581 0 1 0 0.00000 HETATM 19 Ag -4.73262 0.00036 -0.17482 0 1 0 0.00000 HETATM 20 Ag -3.83425 2.36816 -1.63594 0 1 0 0.00000 HETATM 21 Ag 0.00001 1.43351 2.13724 0 1 0 0.00000 HETATM 22 Ag -2.36467 1.46134 3.64854 0 1 0 0.00000 HETATM 23 Ag -4.64270 0.00041 2.69371 0 1 0 0.00000 HETATM 24 Ag 0.00006 2.86698 4.46292 0 1 0 0.00000 HETATM 25 Ag -2.32329 0.00022 1.25389 0 1 0 0.00000 HETATM 26 Ag -3.82836 -2.36503 1.28678 0 1 0 0.00000 HETATM 27 Ag -2.36480 -1.46063 3.64863 0 1 0 0.00000 HETATM 28 Ag 1.47873 -3.83402 -2.50492 0 1 0 0.00000 HETATM 29 Ag -1.43703 -2.32583 -0.18305 0 1 0 0.00000 HETATM 30 Ag -0.00003 -1.47648 -2.56458 0 1 0 0.00000 HETATM 31 Ag -1.47920 -3.83376 -2.50498 0 1 0 0.00000 HETATM 32 Ag -1.46213 -3.82591 2.18913 0 1 0 0.00000 HETATM 33 Ag -0.00039 -4.73603 -0.17230 0 1 0 0.00000 HETATM 34 Ag -2.87659 -4.64744 -0.16512 0 1 0 0.00000 HETATM 35 Ag -0.00019 -1.43328 2.13732 0 1 0 0.00000 HETATM 36 Ag 1.46140 -3.82619 2.18926 0 1 0 0.00000 HETATM 37 Ag 3.82833 2.36515 1.28686 0 1 0 0.00000 HETATM 38 Ag -0.00015 0.00016 4.54974 0 1 0 0.00000 HETATM 39 Ag -0.00038 -2.86658 4.46321 0 1 0 0.00000 HETATM 40 Ag 2.36463 1.46100 3.64865 0 1 0 0.00000 HETATM 41 Ag 4.64255 -0.00023 2.69395 0 1 0 0.00000 HETATM 42 Ag 2.32319 -0.00016 1.25398 0 1 0 0.00000 HETATM 43 Ag 2.87586 -4.64786 -0.16492 0 1 0 0.00000 HETATM 44 Ag 3.82797 -2.36555 1.28699 0 1 0 0.00000 HETATM 45 Ag 2.36438 -1.46102 3.64879 0 1 0 0.00000 HETATM 46 Ag 3.83479 2.36766 -1.63563 0 1 0 0.00000 HETATM 47 Ag 1.43674 -2.32605 -0.18302 0 1 0 0.00000 HETATM 48 Ag 2.39519 -1.44389 -3.98560 0 1 0 0.00000 HETATM 49 Ag 0.00010 -0.00028 -4.87628 0 1 0 0.00000 HETATM 50 Ag 3.83442 -2.36837 -1.63547 0 1 0 0.00000 HETATM 51 Ag 2.32569 -0.00021 -1.62302 0 1 0 0.00000 HETATM 52 Ag 4.66457 -0.00045 -3.03796 0 1 0 0.00000 HETATM 53 Ag 4.73264 -0.00028 -0.17452 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 49 48 52 14 46 51 ORDER 1 1 1 1 1 1 1 CONECT 2 6 51 10 4 29 47 ORDER 2 1 1 1 1 1 1 CONECT 3 5 46 4 16 37 13 ORDER 3 1 1 1 1 1 1 CONECT 4 5 46 2 16 3 13 ORDER 4 1 1 1 1 1 1 CONECT 5 14 46 4 16 3 ORDER 5 1 1 1 1 1 CONECT 6 18 7 17 20 8 2 ORDER 6 1 1 1 1 1 1 CONECT 7 49 18 17 30 8 6 ORDER 7 1 1 1 1 1 1 CONECT 8 7 17 31 6 29 34 ORDER 8 1 1 1 1 1 1 CONECT 9 12 25 23 ORDER 9 1 1 1 CONECT 10 15 20 2 16 12 11 ORDER 10 1 1 1 1 1 1 CONECT 11 10 12 21 24 ORDER 11 1 1 1 1 CONECT 12 15 20 10 16 9 11 ORDER 12 1 1 1 1 1 1 CONECT 13 4 3 21 24 ORDER 13 1 1 1 1 CONECT 14 49 18 1 15 5 ORDER 14 1 1 1 1 1 CONECT 15 14 20 10 16 12 ORDER 15 1 1 1 1 1 CONECT 16 15 5 10 4 12 3 ORDER 16 1 1 1 1 1 1 CONECT 17 18 7 20 8 6 19 ORDER 17 1 1 1 1 1 1 CONECT 18 49 7 17 14 20 6 ORDER 18 1 1 1 1 1 1 CONECT 19 17 25 23 ORDER 19 1 1 1 CONECT 20 18 17 15 6 10 12 ORDER 20 1 1 1 1 1 1 CONECT 21 11 13 22 40 24 38 ORDER 21 1 1 1 1 1 1 CONECT 22 25 21 23 27 24 ORDER 22 1 1 1 1 1 CONECT 23 19 25 9 26 22 27 ORDER 23 1 1 1 1 1 1 CONECT 24 21 11 13 22 40 38 ORDER 24 1 1 1 1 1 1 CONECT 25 19 9 26 23 22 27 ORDER 25 1 1 1 1 1 1 CONECT 26 34 25 23 ORDER 26 1 1 1 CONECT 27 25 35 23 22 39 38 ORDER 27 1 1 1 1 1 1 CONECT 28 30 50 47 33 43 ORDER 28 1 1 1 1 1 CONECT 29 31 8 2 33 34 32 ORDER 29 1 1 1 1 1 1 CONECT 30 49 7 48 31 28 ORDER 30 1 1 1 1 1 CONECT 31 30 8 29 33 34 ORDER 31 1 1 1 1 1 CONECT 32 29 34 35 36 39 ORDER 32 1 1 1 1 1 CONECT 33 31 28 29 47 34 43 ORDER 33 1 1 1 1 1 1 CONECT 34 31 8 29 33 26 32 ORDER 34 1 1 1 1 1 1 CONECT 35 32 36 27 45 39 38 ORDER 35 1 1 1 1 1 1 CONECT 36 47 43 35 32 39 ORDER 36 1 1 1 1 1 CONECT 37 53 3 42 41 40 ORDER 37 1 1 1 1 1 CONECT 38 21 35 27 45 24 39 ORDER 38 1 1 1 1 1 1 CONECT 39 35 32 36 27 45 38 ORDER 39 1 1 1 1 1 1 CONECT 40 42 37 21 41 45 24 ORDER 40 1 1 1 1 1 1 CONECT 41 53 42 37 44 40 45 ORDER 41 1 1 1 1 1 1 CONECT 42 53 37 44 41 40 45 ORDER 42 1 1 1 1 1 1 CONECT 43 28 50 47 33 44 36 ORDER 43 1 1 1 1 1 1 CONECT 44 43 42 41 ORDER 44 1 1 1 CONECT 45 42 35 41 40 39 38 ORDER 45 1 1 1 1 1 1 CONECT 46 1 52 5 51 4 3 ORDER 46 1 1 1 1 1 1 CONECT 47 28 50 2 33 43 36 ORDER 47 1 1 1 1 1 1 CONECT 48 49 1 52 30 50 51 ORDER 48 1 1 1 1 1 1 CONECT 49 18 1 7 48 14 30 ORDER 49 1 1 1 1 1 1 CONECT 50 48 52 28 51 47 43 ORDER 50 1 1 1 1 1 1 CONECT 51 1 48 52 46 50 2 ORDER 51 1 1 1 1 1 1 CONECT 52 1 48 46 50 51 53 ORDER 52 1 1 1 1 1 1 CONECT 53 52 42 37 41 ORDER 53 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2424736.60 END BIOGRF 200 DESCRP S_4853 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.43325 0.88657 -2.09563 0 1 0 0.00000 HETATM 2 Ag -1.32872 -0.85332 -4.46369 0 1 0 0.00000 HETATM 3 Ag 3.86933 -0.43226 -2.53150 0 1 0 0.00000 HETATM 4 Ag 1.59179 -0.80594 -4.32644 0 1 0 0.00000 HETATM 5 Ag 2.95608 1.71809 -4.20002 0 1 0 0.00000 HETATM 6 Ag -3.77861 -0.55886 -2.89452 0 1 0 0.00000 HETATM 7 Ag 0.09283 1.70318 -4.41695 0 1 0 0.00000 HETATM 8 Ag -2.77384 1.62447 -4.48028 0 1 0 0.00000 HETATM 9 Ag -1.44140 0.84239 -2.23037 0 1 0 0.00000 HETATM 10 Ag -3.84564 2.17328 -1.90264 0 1 0 0.00000 HETATM 11 Ag 2.10226 3.16170 2.82890 0 1 0 0.00000 HETATM 12 Ag 2.18763 1.43402 0.62436 0 1 0 0.00000 HETATM 13 Ag -0.33041 3.39792 4.33016 0 1 0 0.00000 HETATM 14 Ag -2.58901 3.08538 2.62849 0 1 0 0.00000 HETATM 15 Ag 2.21337 4.18467 0.09009 0 1 0 0.00000 HETATM 16 Ag -0.23065 4.48743 1.66677 0 1 0 0.00000 HETATM 17 Ag -0.22004 1.72879 2.17354 0 1 0 0.00000 HETATM 18 Ag -0.11190 5.41046 -1.05803 0 1 0 0.00000 HETATM 19 Ag -2.47664 4.12043 -0.14261 0 1 0 0.00000 HETATM 20 Ag -2.52312 1.39534 0.41877 0 1 0 0.00000 HETATM 21 Ag -4.80416 -0.06514 -0.21924 0 1 0 0.00000 HETATM 22 Ag -0.11084 2.73483 -0.51974 0 1 0 0.00000 HETATM 23 Ag -1.47460 3.58460 -2.81865 0 1 0 0.00000 HETATM 24 Ag 1.44587 3.62760 -2.67742 0 1 0 0.00000 HETATM 25 Ag 4.46227 2.81126 1.23101 0 1 0 0.00000 HETATM 26 Ag 3.78029 2.30696 -1.51276 0 1 0 0.00000 HETATM 27 Ag 2.60324 -1.52995 4.49582 0 1 0 0.00000 HETATM 28 Ag 1.30093 -3.48330 2.84170 0 1 0 0.00000 HETATM 29 Ag 1.25657 -0.74010 2.25948 0 1 0 0.00000 HETATM 30 Ag -0.07313 -2.63137 0.54994 0 1 0 0.00000 HETATM 31 Ag 1.15500 0.94954 4.49249 0 1 0 0.00000 HETATM 32 Ag -0.05176 -5.30621 1.08245 0 1 0 0.00000 HETATM 33 Ag -2.38720 -4.08853 -0.06128 0 1 0 0.00000 HETATM 34 Ag -2.27608 -3.06567 -2.80000 0 1 0 0.00000 HETATM 35 Ag -1.61816 -0.78538 2.12753 0 1 0 0.00000 HETATM 36 Ag -4.63751 -2.72802 -1.20712 0 1 0 0.00000 HETATM 37 Ag -2.37300 -1.33328 -0.59429 0 1 0 0.00000 HETATM 38 Ag -3.95871 -2.21661 1.54402 0 1 0 0.00000 HETATM 39 Ag -3.12749 -1.63191 4.23804 0 1 0 0.00000 HETATM 40 Ag -1.76595 0.90221 4.36307 0 1 0 0.00000 HETATM 41 Ag -4.02751 0.49860 2.58118 0 1 0 0.00000 HETATM 42 Ag -0.26675 -1.60703 4.44579 0 1 0 0.00000 HETATM 43 Ag -1.61966 -3.53138 2.70634 0 1 0 0.00000 HETATM 44 Ag -0.11224 0.06209 0.01867 0 1 0 0.00000 HETATM 45 Ag 0.05942 -4.38445 -1.63524 0 1 0 0.00000 HETATM 46 Ag 2.27275 -1.25695 -0.37725 0 1 0 0.00000 HETATM 47 Ag 0.16633 -3.29882 -4.29188 0 1 0 0.00000 HETATM 48 Ag 4.63651 0.12450 0.23460 0 1 0 0.00000 HETATM 49 Ag 2.33751 -4.00975 0.15897 0 1 0 0.00000 HETATM 50 Ag 4.63650 -2.56422 -0.76962 0 1 0 0.00000 HETATM 51 Ag 3.60062 0.65216 2.91743 0 1 0 0.00000 HETATM 52 Ag 3.68969 -2.08652 1.89740 0 1 0 0.00000 HETATM 53 Ag 0.03615 -1.62603 -2.14158 0 1 0 0.00000 HETATM 54 Ag 2.44856 -2.98745 -2.57825 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 7 5 24 3 26 ORDER 1 1 1 1 1 1 CONECT 2 8 4 47 9 53 ORDER 2 1 1 1 1 1 CONECT 3 4 5 1 26 50 46 ORDER 3 1 1 1 1 1 1 CONECT 4 2 47 5 54 3 53 ORDER 4 1 1 1 1 1 1 CONECT 5 7 4 24 3 1 26 ORDER 5 1 1 1 1 1 1 CONECT 6 8 9 10 36 37 21 ORDER 6 1 1 1 1 1 1 CONECT 7 8 5 24 1 ORDER 7 1 1 1 1 CONECT 8 2 7 6 23 9 10 ORDER 8 1 1 1 1 1 1 CONECT 9 8 2 6 23 10 44 ORDER 9 1 1 1 1 1 1 CONECT 10 8 6 23 9 21 20 ORDER 10 1 1 1 1 1 1 CONECT 11 12 25 13 ORDER 11 1 1 1 CONECT 12 26 15 48 25 11 ORDER 12 1 1 1 1 1 CONECT 13 16 17 14 11 40 31 ORDER 13 1 1 1 1 1 1 CONECT 14 19 20 16 17 13 40 ORDER 14 1 1 1 1 1 1 CONECT 15 18 22 12 25 ORDER 15 1 1 1 1 CONECT 16 18 22 19 17 14 13 ORDER 16 1 1 1 1 1 1 CONECT 17 44 16 14 13 40 31 ORDER 17 1 1 1 1 1 1 CONECT 18 23 24 22 19 15 16 ORDER 18 1 1 1 1 1 1 CONECT 19 23 18 22 20 16 14 ORDER 19 1 1 1 1 1 1 CONECT 20 10 21 19 41 14 ORDER 20 1 1 1 1 1 CONECT 21 6 10 36 37 20 38 ORDER 21 1 1 1 1 1 1 CONECT 22 23 18 19 44 15 16 ORDER 22 1 1 1 1 1 1 CONECT 23 8 9 10 18 22 19 ORDER 23 1 1 1 1 1 1 CONECT 24 7 5 1 18 ORDER 24 1 1 1 1 CONECT 25 26 15 48 12 11 51 ORDER 25 1 1 1 1 1 1 CONECT 26 5 3 1 48 12 25 ORDER 26 1 1 1 1 1 1 CONECT 27 52 29 28 51 42 31 ORDER 27 1 1 1 1 1 1 CONECT 28 49 32 52 27 ORDER 28 1 1 1 1 CONECT 29 44 52 51 42 31 27 ORDER 29 1 1 1 1 1 1 CONECT 30 45 33 49 32 43 ORDER 30 1 1 1 1 1 CONECT 31 17 29 51 13 27 ORDER 31 1 1 1 1 1 CONECT 32 45 33 49 30 43 28 ORDER 32 1 1 1 1 1 1 CONECT 33 36 37 30 32 ORDER 33 1 1 1 1 CONECT 34 47 53 36 ORDER 34 1 1 1 CONECT 35 44 38 41 43 39 40 ORDER 35 1 1 1 1 1 1 CONECT 36 6 34 37 21 33 38 ORDER 36 1 1 1 1 1 1 CONECT 37 6 36 21 33 44 38 ORDER 37 1 1 1 1 1 1 CONECT 38 36 37 21 35 41 39 ORDER 38 1 1 1 1 1 1 CONECT 39 38 35 41 43 40 42 ORDER 39 1 1 1 1 1 1 CONECT 40 35 17 41 14 39 13 ORDER 40 1 1 1 1 1 1 CONECT 41 20 38 35 39 40 ORDER 41 1 1 1 1 1 CONECT 42 29 43 39 27 ORDER 42 1 1 1 1 CONECT 43 30 32 35 39 42 ORDER 43 1 1 1 1 1 CONECT 44 9 37 22 35 17 29 ORDER 44 1 1 1 1 1 1 CONECT 45 47 54 53 49 30 32 ORDER 45 1 1 1 1 1 1 CONECT 46 54 3 50 49 48 52 ORDER 46 1 1 1 1 1 1 CONECT 47 2 4 34 54 53 45 ORDER 47 1 1 1 1 1 1 CONECT 48 26 50 46 12 25 51 ORDER 48 1 1 1 1 1 1 CONECT 49 45 50 46 30 32 28 ORDER 49 1 1 1 1 1 1 CONECT 50 54 3 46 49 48 52 ORDER 50 1 1 1 1 1 1 CONECT 51 48 25 52 29 31 27 ORDER 51 1 1 1 1 1 1 CONECT 52 50 46 29 28 51 27 ORDER 52 1 1 1 1 1 1 CONECT 53 2 4 47 34 54 45 ORDER 53 1 1 1 1 1 1 CONECT 54 4 47 53 45 50 46 ORDER 54 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2470494.32 END BIOGRF 200 DESCRP S_5021 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.67148 -1.41202 -1.64658 0 1 0 0.00000 HETATM 2 Ag 3.33438 -2.81682 -3.28481 0 1 0 0.00000 HETATM 3 Ag 1.30518 -2.13251 1.11695 0 1 0 0.00000 HETATM 4 Ag 2.13531 -1.88357 3.78282 0 1 0 0.00000 HETATM 5 Ag 3.02515 -3.60220 -0.53829 0 1 0 0.00000 HETATM 6 Ag 2.60372 -4.25427 2.22823 0 1 0 0.00000 HETATM 7 Ag -0.08469 -3.63572 3.03179 0 1 0 0.00000 HETATM 8 Ag -0.60226 -1.18487 4.54428 0 1 0 0.00000 HETATM 9 Ag 0.46524 -4.69796 0.36116 0 1 0 0.00000 HETATM 10 Ag 0.83745 -3.96565 -2.44738 0 1 0 0.00000 HETATM 11 Ag -0.79593 -0.27905 -2.60528 0 1 0 0.00000 HETATM 12 Ag 0.88975 -1.71863 -4.32107 0 1 0 0.00000 HETATM 13 Ag -3.53974 -0.58805 -3.08893 0 1 0 0.00000 HETATM 14 Ag -1.58776 -0.55675 -5.19728 0 1 0 0.00000 HETATM 15 Ag -1.67017 -2.81425 -3.42165 0 1 0 0.00000 HETATM 16 Ag -2.13531 1.88357 -3.78282 0 1 0 0.00000 HETATM 17 Ag -4.05729 1.86289 -1.57640 0 1 0 0.00000 HETATM 18 Ag -3.10984 -0.03352 3.57008 0 1 0 0.00000 HETATM 19 Ag -4.42950 1.13058 1.23213 0 1 0 0.00000 HETATM 20 Ag -2.68707 -0.29944 -0.43420 0 1 0 0.00000 HETATM 21 Ag -3.59207 -2.83494 -1.21528 0 1 0 0.00000 HETATM 22 Ag -5.36052 -0.59742 -0.86622 0 1 0 0.00000 HETATM 23 Ag -1.38852 -1.44491 1.86617 0 1 0 0.00000 HETATM 24 Ag -2.77003 -2.88259 3.72300 0 1 0 0.00000 HETATM 25 Ag -1.69058 -4.96758 -1.51933 0 1 0 0.00000 HETATM 26 Ag -4.14202 -1.77279 1.45531 0 1 0 0.00000 HETATM 27 Ag -2.27244 -3.99912 1.12262 0 1 0 0.00000 HETATM 28 Ag -0.84738 -2.49007 -0.76157 0 1 0 0.00000 HETATM 29 Ag -0.83745 3.96565 2.44738 0 1 0 0.00000 HETATM 30 Ag -2.60373 4.25427 -2.22823 0 1 0 0.00000 HETATM 31 Ag -0.46524 4.69796 -0.36116 0 1 0 0.00000 HETATM 32 Ag -3.02515 3.60221 0.53829 0 1 0 0.00000 HETATM 33 Ag 5.36052 0.59742 0.86622 0 1 0 0.00000 HETATM 34 Ag 3.59206 2.83494 1.21528 0 1 0 0.00000 HETATM 35 Ag -1.30519 2.13251 -1.11695 0 1 0 0.00000 HETATM 36 Ag 0.84747 2.49007 0.76152 0 1 0 0.00000 HETATM 37 Ag 2.27243 3.99912 -1.12262 0 1 0 0.00000 HETATM 38 Ag 1.38851 1.44491 -1.86617 0 1 0 0.00000 HETATM 39 Ag 0.08469 3.63573 -3.03179 0 1 0 0.00000 HETATM 40 Ag 2.77003 2.88259 -3.72300 0 1 0 0.00000 HETATM 41 Ag 4.14202 1.77279 -1.45531 0 1 0 0.00000 HETATM 42 Ag 4.42950 -1.13058 -1.23213 0 1 0 0.00000 HETATM 43 Ag 3.10984 0.03352 -3.57008 0 1 0 0.00000 HETATM 44 Ag 0.60226 1.18487 -4.54428 0 1 0 0.00000 HETATM 45 Ag 1.69058 4.96758 1.51933 0 1 0 0.00000 HETATM 46 Ag 1.67017 2.81425 3.42165 0 1 0 0.00000 HETATM 47 Ag 2.68706 0.29944 0.43420 0 1 0 0.00000 HETATM 48 Ag 4.05729 -1.86288 1.57640 0 1 0 0.00000 HETATM 49 Ag 0.79593 0.27905 2.60528 0 1 0 0.00000 HETATM 50 Ag 3.53978 0.58801 3.08901 0 1 0 0.00000 HETATM 51 Ag -0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 52 Ag -1.67148 1.41202 1.64658 0 1 0 0.00000 HETATM 53 Ag -3.33439 2.81682 3.28481 0 1 0 0.00000 HETATM 54 Ag -0.88976 1.71863 4.32107 0 1 0 0.00000 HETATM 55 Ag 1.58775 0.55675 5.19728 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 12 2 10 42 5 ORDER 1 1 1 1 1 1 CONECT 2 12 43 10 1 42 5 ORDER 2 1 1 1 1 1 1 CONECT 3 5 48 6 7 4 ORDER 3 1 1 1 1 1 CONECT 4 3 6 49 7 8 55 ORDER 4 1 1 1 1 1 1 CONECT 5 2 1 42 3 48 6 ORDER 5 1 1 1 1 1 1 CONECT 6 5 9 3 48 7 4 ORDER 6 1 1 1 1 1 1 CONECT 7 3 23 6 24 4 8 ORDER 7 1 1 1 1 1 1 CONECT 8 23 49 7 24 4 55 ORDER 8 1 1 1 1 1 1 CONECT 9 10 25 27 6 ORDER 9 1 1 1 1 CONECT 10 12 2 1 25 28 9 ORDER 10 1 1 1 1 1 1 CONECT 11 14 44 12 16 13 ORDER 11 1 1 1 1 1 CONECT 12 14 15 2 11 10 1 ORDER 12 1 1 1 1 1 1 CONECT 13 14 15 11 21 22 ORDER 13 1 1 1 1 1 CONECT 14 44 12 16 15 13 11 ORDER 14 1 1 1 1 1 1 CONECT 15 14 12 13 25 21 28 ORDER 15 1 1 1 1 1 1 CONECT 16 14 44 39 11 30 35 ORDER 16 1 1 1 1 1 1 CONECT 17 30 35 22 20 32 ORDER 17 1 1 1 1 1 CONECT 18 52 53 24 ORDER 18 1 1 1 CONECT 19 22 20 32 26 52 53 ORDER 19 1 1 1 1 1 1 CONECT 20 17 21 22 51 19 26 ORDER 20 1 1 1 1 1 1 CONECT 21 15 13 25 22 28 20 ORDER 21 1 1 1 1 1 1 CONECT 22 13 17 21 20 19 26 ORDER 22 1 1 1 1 1 1 CONECT 23 51 27 26 7 24 8 ORDER 23 1 1 1 1 1 1 CONECT 24 27 26 23 7 18 8 ORDER 24 1 1 1 1 1 1 CONECT 25 15 10 21 28 9 27 ORDER 25 1 1 1 1 1 1 CONECT 26 22 20 27 19 23 24 ORDER 26 1 1 1 1 1 1 CONECT 27 25 28 9 26 23 24 ORDER 27 1 1 1 1 1 1 CONECT 28 15 10 25 21 51 27 ORDER 28 1 1 1 1 1 1 CONECT 29 31 45 52 53 54 ORDER 29 1 1 1 1 1 CONECT 30 16 39 17 35 31 32 ORDER 30 1 1 1 1 1 1 CONECT 31 30 36 45 29 ORDER 31 1 1 1 1 CONECT 32 30 17 35 19 52 53 ORDER 32 1 1 1 1 1 1 CONECT 33 41 42 47 34 48 50 ORDER 33 1 1 1 1 1 1 CONECT 34 47 36 33 45 50 46 ORDER 34 1 1 1 1 1 1 CONECT 35 16 39 30 17 32 ORDER 35 1 1 1 1 1 CONECT 36 37 31 51 34 45 46 ORDER 36 1 1 1 1 1 1 CONECT 37 40 38 41 36 45 ORDER 37 1 1 1 1 1 CONECT 38 44 40 39 41 37 51 ORDER 38 1 1 1 1 1 1 CONECT 39 44 16 40 30 38 35 ORDER 39 1 1 1 1 1 1 CONECT 40 44 43 39 38 41 37 ORDER 40 1 1 1 1 1 1 CONECT 41 40 38 42 37 47 33 ORDER 41 1 1 1 1 1 1 CONECT 42 2 1 41 5 47 33 ORDER 42 1 1 1 1 1 1 CONECT 43 40 2 ORDER 43 1 1 CONECT 44 14 16 40 39 11 38 ORDER 44 1 1 1 1 1 1 CONECT 45 37 31 36 34 29 46 ORDER 45 1 1 1 1 1 1 CONECT 46 36 34 45 49 50 55 ORDER 46 1 1 1 1 1 1 CONECT 47 41 42 51 33 34 48 ORDER 47 1 1 1 1 1 1 CONECT 48 5 47 33 3 6 50 ORDER 48 1 1 1 1 1 1 CONECT 49 46 4 54 8 55 ORDER 49 1 1 1 1 1 CONECT 50 33 34 48 46 55 ORDER 50 1 1 1 1 1 CONECT 51 38 28 20 47 36 23 ORDER 51 1 1 1 1 1 1 CONECT 52 32 19 29 53 18 54 ORDER 52 1 1 1 1 1 1 CONECT 53 32 19 52 29 18 54 ORDER 53 1 1 1 1 1 1 CONECT 54 52 29 49 53 55 ORDER 54 1 1 1 1 1 CONECT 55 49 50 46 4 54 8 ORDER 55 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2516252.98 END BIOGRF 200 DESCRP S_5192 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.62774 2.13664 1.63472 0 1 0 0.00000 HETATM 2 Ag 2.29065 -0.21457 1.64788 0 1 0 0.00000 HETATM 3 Ag 0.12034 1.81877 4.37310 0 1 0 0.00000 HETATM 4 Ag -0.39832 -0.34754 2.66822 0 1 0 0.00000 HETATM 5 Ag 2.85016 1.95326 3.33510 0 1 0 0.00000 HETATM 6 Ag 4.45744 -0.42804 3.28719 0 1 0 0.00000 HETATM 7 Ag 1.80761 -0.57116 4.38557 0 1 0 0.00000 HETATM 8 Ag 2.85004 -3.86496 0.02358 0 1 0 0.00000 HETATM 9 Ag 0.12047 -2.87826 3.76138 0 1 0 0.00000 HETATM 10 Ag 1.13976 -4.95492 2.06033 0 1 0 0.00000 HETATM 11 Ag 1.13959 4.26188 3.26079 0 1 0 0.00000 HETATM 12 Ag 2.85030 -2.74222 2.72356 0 1 0 0.00000 HETATM 13 Ag 0.62783 -2.48407 1.03298 0 1 0 0.00000 HETATM 14 Ag -2.60778 -1.92351 3.36691 0 1 0 0.00000 HETATM 15 Ag -2.60788 0.99684 3.74725 0 1 0 0.00000 HETATM 16 Ag -0.90316 -0.69341 5.32383 0 1 0 0.00000 HETATM 17 Ag -1.57723 3.51324 2.68823 0 1 0 0.00000 HETATM 18 Ag 4.45690 3.06134 -1.27331 0 1 0 0.00000 HETATM 19 Ag 4.53865 -1.55929 0.64812 0 1 0 0.00000 HETATM 20 Ag 2.84960 1.91193 -3.35936 0 1 0 0.00000 HETATM 21 Ag 4.53835 0.21823 -1.67512 0 1 0 0.00000 HETATM 22 Ag 4.45707 -2.63290 -2.01499 0 1 0 0.00000 HETATM 23 Ag 1.80696 4.08372 -1.69833 0 1 0 0.00000 HETATM 24 Ag 2.29043 -1.31985 -1.01008 0 1 0 0.00000 HETATM 25 Ag 2.29040 1.53462 -0.63828 0 1 0 0.00000 HETATM 26 Ag 2.84992 3.73008 1.01275 0 1 0 0.00000 HETATM 27 Ag 0.12005 4.69658 0.61191 0 1 0 0.00000 HETATM 28 Ag 4.53864 1.34145 1.02588 0 1 0 0.00000 HETATM 29 Ag 0.11968 -1.81835 -4.37334 0 1 0 0.00000 HETATM 30 Ag 1.13894 0.69301 -5.32137 0 1 0 0.00000 HETATM 31 Ag 2.84959 -0.98757 -3.73706 0 1 0 0.00000 HETATM 32 Ag 1.80702 -3.51247 -2.68763 0 1 0 0.00000 HETATM 33 Ag 0.62740 0.34744 -2.66787 0 1 0 0.00000 HETATM 34 Ag -2.60839 -1.95404 -3.34882 0 1 0 0.00000 HETATM 35 Ag -0.90377 -4.26383 -3.26229 0 1 0 0.00000 HETATM 36 Ag -0.39870 -2.13702 -1.63498 0 1 0 0.00000 HETATM 37 Ag 0.12014 -4.69663 -0.61143 0 1 0 0.00000 HETATM 38 Ag -4.24148 -3.05007 1.26861 0 1 0 0.00000 HETATM 39 Ag -2.06150 -1.53757 0.63949 0 1 0 0.00000 HETATM 40 Ag -2.60816 -3.74363 -1.00990 0 1 0 0.00000 HETATM 41 Ag -1.57703 -4.08464 1.69868 0 1 0 0.00000 HETATM 42 Ag -2.06147 1.32240 1.01197 0 1 0 0.00000 HETATM 43 Ag -2.06170 0.21502 -1.65103 0 1 0 0.00000 HETATM 44 Ag -1.57773 0.57129 -4.38650 0 1 0 0.00000 HETATM 45 Ag -2.60842 2.74652 -2.73678 0 1 0 0.00000 HETATM 46 Ag 0.11973 2.87782 -3.76172 0 1 0 0.00000 HETATM 47 Ag -4.30353 -0.22326 1.71356 0 1 0 0.00000 HETATM 48 Ag -4.30377 -1.37225 -1.04951 0 1 0 0.00000 HETATM 49 Ag -6.40602 -0.00001 0.00037 0 1 0 0.00000 HETATM 50 Ag -4.24207 0.42643 -3.27502 0 1 0 0.00000 HETATM 51 Ag -4.30375 1.59536 -0.66306 0 1 0 0.00000 HETATM 52 Ag -0.39878 2.48446 -1.03315 0 1 0 0.00000 HETATM 53 Ag -2.60826 3.87736 -0.01731 0 1 0 0.00000 HETATM 54 Ag 0.11298 0.00001 0.00004 0 1 0 0.00000 HETATM 55 Ag -4.24162 2.62319 2.00751 0 1 0 0.00000 HETATM 56 Ag -0.90389 4.95716 -2.06126 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 27 26 11 5 3 ORDER 1 1 1 1 1 1 CONECT 2 19 12 6 5 7 ORDER 2 1 1 1 1 1 CONECT 3 1 4 11 5 15 16 ORDER 3 1 1 1 1 1 1 CONECT 4 54 14 15 3 7 16 ORDER 4 1 1 1 1 1 1 CONECT 5 26 1 2 11 6 3 ORDER 5 1 1 1 1 1 1 CONECT 6 19 28 2 12 5 7 ORDER 6 1 1 1 1 1 1 CONECT 7 2 4 6 9 16 ORDER 7 1 1 1 1 1 CONECT 8 22 24 37 13 10 12 ORDER 8 1 1 1 1 1 1 CONECT 9 13 10 12 14 7 16 ORDER 9 1 1 1 1 1 1 CONECT 10 37 8 13 41 12 9 ORDER 10 1 1 1 1 1 1 CONECT 11 27 26 1 17 5 3 ORDER 11 1 1 1 1 1 1 CONECT 12 8 13 2 10 6 9 ORDER 12 1 1 1 1 1 1 CONECT 13 37 8 10 12 9 ORDER 13 1 1 1 1 1 CONECT 14 39 38 47 4 9 16 ORDER 14 1 1 1 1 1 1 CONECT 15 42 47 55 4 3 16 ORDER 15 1 1 1 1 1 1 CONECT 16 4 14 15 9 3 7 ORDER 16 1 1 1 1 1 1 CONECT 17 42 55 11 ORDER 17 1 1 1 CONECT 18 20 23 21 25 26 28 ORDER 18 1 1 1 1 1 1 CONECT 19 22 21 28 2 6 ORDER 19 1 1 1 1 1 CONECT 20 30 46 31 33 18 25 ORDER 20 1 1 1 1 1 1 CONECT 21 22 18 24 25 19 28 ORDER 21 1 1 1 1 1 1 CONECT 22 31 32 21 24 8 19 ORDER 22 1 1 1 1 1 1 CONECT 23 56 18 52 25 ORDER 23 1 1 1 1 CONECT 24 31 32 22 21 8 ORDER 24 1 1 1 1 1 CONECT 25 20 23 21 18 26 ORDER 25 1 1 1 1 1 CONECT 26 18 25 27 1 11 5 ORDER 26 1 1 1 1 1 1 CONECT 27 56 53 26 1 11 ORDER 27 1 1 1 1 1 CONECT 28 21 18 19 6 ORDER 28 1 1 1 1 CONECT 29 30 31 34 35 33 ORDER 29 1 1 1 1 1 CONECT 30 44 29 46 31 20 33 ORDER 30 1 1 1 1 1 1 CONECT 31 30 29 20 33 22 24 ORDER 31 1 1 1 1 1 1 CONECT 32 35 22 36 24 ORDER 32 1 1 1 1 CONECT 33 30 29 46 31 20 ORDER 33 1 1 1 1 1 CONECT 34 29 50 35 43 36 48 ORDER 34 1 1 1 1 1 1 CONECT 35 29 34 32 36 40 37 ORDER 35 1 1 1 1 1 1 CONECT 36 34 35 32 40 37 54 ORDER 36 1 1 1 1 1 1 CONECT 37 35 36 40 8 13 10 ORDER 37 1 1 1 1 1 1 CONECT 38 48 40 39 41 47 14 ORDER 38 1 1 1 1 1 1 CONECT 39 40 54 38 41 47 14 ORDER 39 1 1 1 1 1 1 CONECT 40 35 36 48 37 39 38 ORDER 40 1 1 1 1 1 1 CONECT 41 39 38 10 ORDER 41 1 1 1 CONECT 42 51 53 54 55 17 15 ORDER 42 1 1 1 1 1 1 CONECT 43 44 34 50 45 48 54 ORDER 43 1 1 1 1 1 1 CONECT 44 30 50 43 ORDER 44 1 1 1 CONECT 45 46 50 56 43 52 51 ORDER 45 1 1 1 1 1 1 CONECT 46 30 20 45 33 56 52 ORDER 46 1 1 1 1 1 1 CONECT 47 49 39 38 55 14 15 ORDER 47 1 1 1 1 1 1 CONECT 48 34 50 43 40 49 38 ORDER 48 1 1 1 1 1 1 CONECT 49 48 51 47 ORDER 49 1 1 1 CONECT 50 44 34 45 43 48 51 ORDER 50 1 1 1 1 1 1 CONECT 51 50 45 53 49 42 55 ORDER 51 1 1 1 1 1 1 CONECT 52 46 45 56 23 53 54 ORDER 52 1 1 1 1 1 1 CONECT 53 56 52 51 27 42 55 ORDER 53 1 1 1 1 1 1 CONECT 54 43 36 52 39 42 4 ORDER 54 1 1 1 1 1 1 CONECT 55 51 53 42 47 17 15 ORDER 55 1 1 1 1 1 1 CONECT 56 46 45 23 52 53 27 ORDER 56 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2562004.42 END BIOGRF 200 DESCRP S_5366 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 2.54969 2.37228 3.37862 0 1 0 0.00000 HETATM 2 Ag 4.75075 2.87131 -1.08245 0 1 0 0.00000 HETATM 3 Ag 3.41047 -1.46650 -3.18980 0 1 0 0.00000 HETATM 4 Ag 4.75095 -2.87313 -1.07669 0 1 0 0.00000 HETATM 5 Ag 3.41043 1.46039 -3.19275 0 1 0 0.00000 HETATM 6 Ag 4.50820 -1.46141 1.41154 0 1 0 0.00000 HETATM 7 Ag 4.83585 -0.00088 -1.09995 0 1 0 0.00000 HETATM 8 Ag 2.49478 -1.43965 -0.53940 0 1 0 0.00000 HETATM 9 Ag 4.10902 0.00399 3.84812 0 1 0 0.00000 HETATM 10 Ag 2.17208 0.00195 1.92919 0 1 0 0.00000 HETATM 11 Ag 0.56317 2.33112 1.39818 0 1 0 0.00000 HETATM 12 Ag 2.49471 1.43876 -0.54228 0 1 0 0.00000 HETATM 13 Ag 0.90019 4.65223 2.78572 0 1 0 0.00000 HETATM 14 Ag 4.50805 1.46454 1.40853 0 1 0 0.00000 HETATM 15 Ag 2.87265 3.83188 0.86714 0 1 0 0.00000 HETATM 16 Ag -1.73100 3.83736 1.96667 0 1 0 0.00000 HETATM 17 Ag -0.43452 4.64468 -2.79938 0 1 0 0.00000 HETATM 18 Ag 0.22965 4.73511 -0.00638 0 1 0 0.00000 HETATM 19 Ag -0.10395 2.32815 -1.40259 0 1 0 0.00000 HETATM 20 Ag 2.19425 3.82886 -1.97680 0 1 0 0.00000 HETATM 21 Ag 1.09328 -0.00251 -2.59924 0 1 0 0.00000 HETATM 22 Ag 0.77094 2.36385 -4.06762 0 1 0 0.00000 HETATM 23 Ag 1.95418 -0.00508 -5.18625 0 1 0 0.00000 HETATM 24 Ag 0.77122 -2.37195 -4.06294 0 1 0 0.00000 HETATM 25 Ag -0.85693 -0.00462 -4.61224 0 1 0 0.00000 HETATM 26 Ag -2.41261 3.82954 -0.88123 0 1 0 0.00000 HETATM 27 Ag -2.07243 2.36443 -3.39752 0 1 0 0.00000 HETATM 28 Ag -6.41129 1.36284 -0.01914 0 1 0 0.00000 HETATM 29 Ag -4.32782 2.88050 1.07548 0 1 0 0.00000 HETATM 30 Ag -0.28640 2.37454 4.06770 0 1 0 0.00000 HETATM 31 Ag 0.22435 -0.00006 0.00143 0 1 0 0.00000 HETATM 32 Ag -2.91796 1.49029 3.21873 0 1 0 0.00000 HETATM 33 Ag -1.46398 0.00513 5.19738 0 1 0 0.00000 HETATM 34 Ag 1.34030 0.00464 4.60354 0 1 0 0.00000 HETATM 35 Ag -2.04189 1.44717 0.54134 0 1 0 0.00000 HETATM 36 Ag -0.43405 -4.65027 -2.79009 0 1 0 0.00000 HETATM 37 Ag -2.07213 -2.37131 -3.39291 0 1 0 0.00000 HETATM 38 Ag -3.62565 -0.00401 -3.87833 0 1 0 0.00000 HETATM 39 Ag -2.41232 -3.83152 -0.87364 0 1 0 0.00000 HETATM 40 Ag -4.32771 -2.87854 1.08101 0 1 0 0.00000 HETATM 41 Ag -4.05402 -1.45609 -1.42761 0 1 0 0.00000 HETATM 42 Ag -1.70521 -0.00202 -1.93797 0 1 0 0.00000 HETATM 43 Ag -6.41109 -1.36277 -0.01691 0 1 0 0.00000 HETATM 44 Ag -4.05434 1.45260 -1.43026 0 1 0 0.00000 HETATM 45 Ag 0.22996 -4.73516 0.00304 0 1 0 0.00000 HETATM 46 Ag -1.73085 -3.83360 1.97416 0 1 0 0.00000 HETATM 47 Ag -0.10381 -2.33103 -1.39802 0 1 0 0.00000 HETATM 48 Ag -2.04175 -1.44623 0.54423 0 1 0 0.00000 HETATM 49 Ag -2.91787 -1.48409 3.22156 0 1 0 0.00000 HETATM 50 Ag -4.35367 0.00104 1.19569 0 1 0 0.00000 HETATM 51 Ag -0.62883 0.00258 2.60221 0 1 0 0.00000 HETATM 52 Ag 0.56333 -2.32835 1.40277 0 1 0 0.00000 HETATM 53 Ag 2.54989 -2.36537 3.38339 0 1 0 0.00000 HETATM 54 Ag 0.90049 -4.64664 2.79498 0 1 0 0.00000 HETATM 55 Ag 2.87289 -3.82989 0.87476 0 1 0 0.00000 HETATM 56 Ag -0.28631 -2.36646 4.07242 0 1 0 0.00000 HETATM 57 Ag 2.19466 -3.83262 -1.96914 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 14 10 13 9 30 ORDER 1 1 1 1 1 1 CONECT 2 5 20 7 12 15 14 ORDER 2 1 1 1 1 1 1 CONECT 3 23 21 7 4 8 ORDER 3 1 1 1 1 1 CONECT 4 3 57 7 8 55 6 ORDER 4 1 1 1 1 1 1 CONECT 5 23 22 7 2 12 ORDER 5 1 1 1 1 1 CONECT 6 4 8 10 53 9 ORDER 6 1 1 1 1 1 CONECT 7 5 3 2 4 ORDER 7 1 1 1 1 CONECT 8 3 57 4 55 6 ORDER 8 1 1 1 1 1 CONECT 9 14 6 10 1 53 34 ORDER 9 1 1 1 1 1 1 CONECT 10 6 1 53 9 34 ORDER 10 1 1 1 1 1 CONECT 11 18 31 15 16 13 30 ORDER 11 1 1 1 1 1 1 CONECT 12 5 20 2 15 14 ORDER 12 1 1 1 1 1 CONECT 13 18 15 11 16 1 30 ORDER 13 1 1 1 1 1 1 CONECT 14 2 12 1 9 ORDER 14 1 1 1 1 CONECT 15 20 2 12 11 13 ORDER 15 1 1 1 1 1 CONECT 16 18 35 29 11 13 32 ORDER 16 1 1 1 1 1 1 CONECT 17 22 27 20 19 26 18 ORDER 17 1 1 1 1 1 1 CONECT 18 17 19 11 16 13 ORDER 18 1 1 1 1 1 CONECT 19 27 17 20 26 18 31 ORDER 19 1 1 1 1 1 1 CONECT 20 22 17 19 2 12 15 ORDER 20 1 1 1 1 1 1 CONECT 21 23 25 22 24 3 ORDER 21 1 1 1 1 1 CONECT 22 23 27 5 17 21 20 ORDER 22 1 1 1 1 1 1 CONECT 23 25 22 24 5 3 21 ORDER 23 1 1 1 1 1 1 CONECT 24 23 37 36 21 57 ORDER 24 1 1 1 1 1 CONECT 25 23 38 27 37 21 42 ORDER 25 1 1 1 1 1 1 CONECT 26 17 44 19 35 29 ORDER 26 1 1 1 1 1 CONECT 27 25 22 38 17 42 19 ORDER 27 1 1 1 1 1 1 CONECT 28 44 43 29 50 ORDER 28 1 1 1 1 CONECT 29 44 26 28 35 50 16 ORDER 29 1 1 1 1 1 1 CONECT 30 11 51 13 32 1 33 ORDER 30 1 1 1 1 1 1 CONECT 31 42 19 47 11 52 51 ORDER 31 1 1 1 1 1 1 CONECT 32 35 16 51 30 33 ORDER 32 1 1 1 1 1 CONECT 33 51 32 49 30 56 34 ORDER 33 1 1 1 1 1 1 CONECT 34 10 51 9 56 33 ORDER 34 1 1 1 1 1 CONECT 35 44 26 29 50 16 32 ORDER 35 1 1 1 1 1 1 CONECT 36 24 37 57 47 39 45 ORDER 36 1 1 1 1 1 1 CONECT 37 25 24 38 36 42 47 ORDER 37 1 1 1 1 1 1 CONECT 38 25 27 37 42 44 41 ORDER 38 1 1 1 1 1 1 CONECT 39 36 47 48 40 ORDER 39 1 1 1 1 CONECT 40 41 39 43 48 50 46 ORDER 40 1 1 1 1 1 1 CONECT 41 38 42 44 43 48 40 ORDER 41 1 1 1 1 1 1 CONECT 42 25 38 27 37 41 31 ORDER 42 1 1 1 1 1 1 CONECT 43 41 28 40 50 ORDER 43 1 1 1 1 CONECT 44 38 41 26 28 35 29 ORDER 44 1 1 1 1 1 1 CONECT 45 36 47 52 46 54 ORDER 45 1 1 1 1 1 CONECT 46 45 48 40 52 54 49 ORDER 46 1 1 1 1 1 1 CONECT 47 37 36 57 39 31 45 ORDER 47 1 1 1 1 1 1 CONECT 48 41 39 40 50 46 49 ORDER 48 1 1 1 1 1 1 CONECT 49 48 46 51 56 33 ORDER 49 1 1 1 1 1 CONECT 50 28 43 35 48 29 40 ORDER 50 1 1 1 1 1 1 CONECT 51 31 32 49 30 34 33 ORDER 51 1 1 1 1 1 1 CONECT 52 31 45 55 46 54 56 ORDER 52 1 1 1 1 1 1 CONECT 53 55 6 10 54 9 56 ORDER 53 1 1 1 1 1 1 CONECT 54 45 55 52 46 53 56 ORDER 54 1 1 1 1 1 1 CONECT 55 57 4 8 52 54 53 ORDER 55 1 1 1 1 1 1 CONECT 56 52 54 49 53 34 33 ORDER 56 1 1 1 1 1 1 CONECT 57 24 36 47 4 8 55 ORDER 57 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2607755.23 END BIOGRF 200 DESCRP S_5564 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.83679 -1.21739 -1.14922 0 1 0 0.00000 HETATM 2 Ag -0.34903 1.35707 4.53825 0 1 0 0.00000 HETATM 3 Ag 0.17391 1.95706 1.84728 0 1 0 0.00000 HETATM 4 Ag 4.03750 -2.42121 -2.28545 0 1 0 0.00000 HETATM 5 Ag 1.34644 -1.02272 4.30992 0 1 0 0.00000 HETATM 6 Ag 4.07070 -1.65900 0.49616 0 1 0 0.00000 HETATM 7 Ag 4.03754 -0.76876 3.23949 0 1 0 0.00000 HETATM 8 Ag 2.37713 1.59891 3.54021 0 1 0 0.00000 HETATM 9 Ag 4.07070 1.25912 1.18858 0 1 0 0.00000 HETATM 10 Ag 6.28985 -1.16532 -1.09992 0 1 0 0.00000 HETATM 11 Ag 6.28987 -0.36998 1.55915 0 1 0 0.00000 HETATM 12 Ag 2.37704 3.62651 1.39223 0 1 0 0.00000 HETATM 13 Ag 6.28984 1.53519 -0.45913 0 1 0 0.00000 HETATM 14 Ag 1.83681 1.60384 -0.47974 0 1 0 0.00000 HETATM 15 Ag 2.37698 2.26639 -3.15493 0 1 0 0.00000 HETATM 16 Ag 4.03763 3.18982 -0.95417 0 1 0 0.00000 HETATM 17 Ag 4.07071 0.39969 -1.68486 0 1 0 0.00000 HETATM 18 Ag 1.34648 4.24385 -1.26938 0 1 0 0.00000 HETATM 19 Ag 0.67444 3.90543 3.68645 0 1 0 0.00000 HETATM 20 Ag 2.37698 -0.60753 -3.83679 0 1 0 0.00000 HETATM 21 Ag 1.34631 -3.22117 -3.04058 0 1 0 0.00000 HETATM 22 Ag -0.34915 -3.25127 3.44481 0 1 0 0.00000 HETATM 23 Ag 0.17377 -2.57836 0.77120 0 1 0 0.00000 HETATM 24 Ag 1.83681 -0.38654 1.62883 0 1 0 0.00000 HETATM 25 Ag -1.36933 -1.23905 5.22177 0 1 0 0.00000 HETATM 26 Ag 2.37699 -3.01912 2.44440 0 1 0 0.00000 HETATM 27 Ag 0.67415 -5.14533 1.53889 0 1 0 0.00000 HETATM 28 Ag 2.37694 -3.86553 -0.38540 0 1 0 0.00000 HETATM 29 Ag -0.85390 -0.62111 2.61776 0 1 0 0.00000 HETATM 30 Ag -0.85390 2.57767 -0.77100 0 1 0 0.00000 HETATM 31 Ag -1.36925 5.14167 -1.53784 0 1 0 0.00000 HETATM 32 Ag -2.03418 3.21578 3.03549 0 1 0 0.00000 HETATM 33 Ag -0.34903 4.60896 1.09322 0 1 0 0.00000 HETATM 34 Ag -3.07726 3.84634 0.37543 0 1 0 0.00000 HETATM 35 Ag -3.07731 3.00854 -2.42555 0 1 0 0.00000 HETATM 36 Ag -0.34919 -1.35770 -4.53804 0 1 0 0.00000 HETATM 37 Ag -2.03435 1.02094 -4.30268 0 1 0 0.00000 HETATM 38 Ag -0.34906 3.25169 -3.44444 0 1 0 0.00000 HETATM 39 Ag 0.17374 0.62132 -2.61851 0 1 0 0.00000 HETATM 40 Ag 0.67424 1.23978 -5.22542 0 1 0 0.00000 HETATM 41 Ag -4.76411 -1.22760 -1.15879 0 1 0 0.00000 HETATM 42 Ag -4.68328 0.76529 -3.22470 0 1 0 0.00000 HETATM 43 Ag -2.51467 0.38355 -1.61621 0 1 0 0.00000 HETATM 44 Ag -4.68330 -3.17525 0.94977 0 1 0 0.00000 HETATM 45 Ag -2.03433 -4.23662 1.26713 0 1 0 0.00000 HETATM 46 Ag -3.07742 -3.60484 -1.39261 0 1 0 0.00000 HETATM 47 Ag -0.85395 -1.95651 -1.84678 0 1 0 0.00000 HETATM 48 Ag -3.07750 -1.59804 -3.51864 0 1 0 0.00000 HETATM 49 Ag -4.68316 2.41026 2.27515 0 1 0 0.00000 HETATM 50 Ag -2.51462 1.20803 1.14028 0 1 0 0.00000 HETATM 51 Ag -2.51465 -1.59146 0.47600 0 1 0 0.00000 HETATM 52 Ag -4.76403 -0.38960 1.64275 0 1 0 0.00000 HETATM 53 Ag -4.76407 1.61752 -0.48371 0 1 0 0.00000 HETATM 54 Ag -3.07741 -2.24813 3.14333 0 1 0 0.00000 HETATM 55 Ag -0.33285 -0.00003 -0.00001 0 1 0 0.00000 HETATM 56 Ag -1.36949 -3.90266 -3.68382 0 1 0 0.00000 HETATM 57 Ag -3.07731 0.59640 3.81829 0 1 0 0.00000 HETATM 58 Ag -0.34919 -4.60878 -1.09393 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 20 21 4 17 28 ORDER 1 1 1 1 1 1 CONECT 2 29 8 19 57 25 ORDER 2 1 1 1 1 1 CONECT 3 55 33 12 32 8 19 ORDER 3 1 1 1 1 1 1 CONECT 4 20 21 17 1 10 6 ORDER 4 1 1 1 1 1 1 CONECT 5 24 26 29 7 25 ORDER 5 1 1 1 1 1 CONECT 6 4 10 11 26 7 ORDER 6 1 1 1 1 1 CONECT 7 6 9 11 24 8 5 ORDER 7 1 1 1 1 1 1 CONECT 8 24 3 7 19 2 ORDER 8 1 1 1 1 1 CONECT 9 16 14 13 11 24 7 ORDER 9 1 1 1 1 1 1 CONECT 10 4 17 13 6 11 ORDER 10 1 1 1 1 1 CONECT 11 10 13 6 9 7 ORDER 11 1 1 1 1 1 CONECT 12 18 14 33 3 19 ORDER 12 1 1 1 1 1 CONECT 13 17 10 16 9 11 ORDER 13 1 1 1 1 1 CONECT 14 15 18 16 9 12 ORDER 14 1 1 1 1 1 CONECT 15 40 38 39 16 14 ORDER 15 1 1 1 1 1 CONECT 16 15 17 18 14 13 9 ORDER 16 1 1 1 1 1 1 CONECT 17 20 4 1 10 16 13 ORDER 17 1 1 1 1 1 1 CONECT 18 31 16 30 14 12 ORDER 18 1 1 1 1 1 CONECT 19 33 12 3 32 8 2 ORDER 19 1 1 1 1 1 1 CONECT 20 40 36 39 4 17 1 ORDER 20 1 1 1 1 1 1 CONECT 21 56 4 47 1 28 ORDER 21 1 1 1 1 1 CONECT 22 23 27 26 29 54 25 ORDER 22 1 1 1 1 1 1 CONECT 23 28 55 45 27 26 22 ORDER 23 1 1 1 1 1 1 CONECT 24 55 9 26 7 8 5 ORDER 24 1 1 1 1 1 1 CONECT 25 29 54 22 57 5 2 ORDER 25 1 1 1 1 1 1 CONECT 26 6 23 27 24 22 5 ORDER 26 1 1 1 1 1 1 CONECT 27 58 28 23 45 26 22 ORDER 27 1 1 1 1 1 1 CONECT 28 21 1 58 23 27 ORDER 28 1 1 1 1 1 CONECT 29 55 22 57 5 2 25 ORDER 29 1 1 1 1 1 1 CONECT 30 38 35 31 18 33 ORDER 30 1 1 1 1 1 CONECT 31 38 35 18 30 34 33 ORDER 31 1 1 1 1 1 1 CONECT 32 50 3 49 19 ORDER 32 1 1 1 1 CONECT 33 31 30 34 12 3 19 ORDER 33 1 1 1 1 1 1 CONECT 34 35 31 53 33 50 49 ORDER 34 1 1 1 1 1 1 CONECT 35 38 42 43 31 30 34 ORDER 35 1 1 1 1 1 1 CONECT 36 40 20 56 48 47 ORDER 36 1 1 1 1 1 CONECT 37 40 42 39 43 ORDER 37 1 1 1 1 CONECT 38 40 15 39 35 31 30 ORDER 38 1 1 1 1 1 1 CONECT 39 40 37 20 38 15 55 ORDER 39 1 1 1 1 1 1 CONECT 40 36 37 20 38 15 39 ORDER 40 1 1 1 1 1 1 CONECT 41 48 42 53 51 44 ORDER 41 1 1 1 1 1 CONECT 42 37 48 35 43 41 53 ORDER 42 1 1 1 1 1 1 CONECT 43 37 48 42 35 53 ORDER 43 1 1 1 1 1 CONECT 44 46 41 51 45 52 54 ORDER 44 1 1 1 1 1 1 CONECT 45 58 51 23 44 27 ORDER 45 1 1 1 1 1 CONECT 46 56 48 47 58 51 44 ORDER 46 1 1 1 1 1 1 CONECT 47 36 56 21 46 58 55 ORDER 47 1 1 1 1 1 1 CONECT 48 36 56 42 43 46 41 ORDER 48 1 1 1 1 1 1 CONECT 49 53 34 50 52 32 57 ORDER 49 1 1 1 1 1 1 CONECT 50 34 52 49 32 57 ORDER 50 1 1 1 1 1 CONECT 51 46 41 44 45 54 ORDER 51 1 1 1 1 1 CONECT 52 53 44 50 49 54 ORDER 52 1 1 1 1 1 CONECT 53 42 43 41 34 52 49 ORDER 53 1 1 1 1 1 1 CONECT 54 51 44 52 22 57 25 ORDER 54 1 1 1 1 1 1 CONECT 55 39 47 23 24 3 29 ORDER 55 1 1 1 1 1 1 CONECT 56 36 48 21 47 46 58 ORDER 56 1 1 1 1 1 1 CONECT 57 50 49 29 54 2 25 ORDER 57 1 1 1 1 1 1 CONECT 58 56 47 46 28 45 27 ORDER 58 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2653507.30 END BIOGRF 200 DESCRP S_5744 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -2.30438 2.28166 4.57373 0 1 0 0.00000 HETATM 2 Ag -3.75342 2.60269 2.09813 0 1 0 0.00000 HETATM 3 Ag -0.22573 2.75146 0.20349 0 1 0 0.00000 HETATM 4 Ag -2.73900 1.42948 -0.23006 0 1 0 0.00000 HETATM 5 Ag 1.59631 3.78307 2.02314 0 1 0 0.00000 HETATM 6 Ag -2.60778 4.22158 -0.04308 0 1 0 0.00000 HETATM 7 Ag -1.22745 3.94869 2.53499 0 1 0 0.00000 HETATM 8 Ag -0.07785 5.46844 0.38204 0 1 0 0.00000 HETATM 9 Ag -2.97442 -3.90905 0.89099 0 1 0 0.00000 HETATM 10 Ag -3.67175 0.03031 3.42062 0 1 0 0.00000 HETATM 11 Ag -4.92087 -2.23135 2.15019 0 1 0 0.00000 HETATM 12 Ag -5.07046 0.30892 0.85845 0 1 0 0.00000 HETATM 13 Ag -4.59585 -2.10739 -0.70774 0 1 0 0.00000 HETATM 14 Ag -4.66348 0.47455 -2.03953 0 1 0 0.00000 HETATM 15 Ag -2.26397 -0.95451 -1.76566 0 1 0 0.00000 HETATM 16 Ag -3.16201 2.88451 -2.60536 0 1 0 0.00000 HETATM 17 Ag -5.06993 2.83970 -0.46015 0 1 0 0.00000 HETATM 18 Ag -1.07470 -0.28742 4.69335 0 1 0 0.00000 HETATM 19 Ag -2.39420 -2.58797 3.45018 0 1 0 0.00000 HETATM 20 Ag -1.34036 1.14809 2.28938 0 1 0 0.00000 HETATM 21 Ag 0.55158 2.10008 4.06495 0 1 0 0.00000 HETATM 22 Ag -2.66408 -1.11980 1.07846 0 1 0 0.00000 HETATM 23 Ag -2.55366 -3.73754 -2.00804 0 1 0 0.00000 HETATM 24 Ag 1.76766 -0.48522 4.16697 0 1 0 0.00000 HETATM 25 Ag -0.09009 -1.42879 2.32896 0 1 0 0.00000 HETATM 26 Ag 0.19845 -2.85987 4.63217 0 1 0 0.00000 HETATM 27 Ag 1.60491 0.92052 1.68575 0 1 0 0.00000 HETATM 28 Ag 2.19928 -3.06333 2.61012 0 1 0 0.00000 HETATM 29 Ag -0.38022 -4.23306 2.15629 0 1 0 0.00000 HETATM 30 Ag -0.66969 -2.73491 -0.19058 0 1 0 0.00000 HETATM 31 Ag -1.29357 -2.11860 -4.11740 0 1 0 0.00000 HETATM 32 Ag 0.30624 -3.93428 -2.52444 0 1 0 0.00000 HETATM 33 Ag -0.92123 -5.44685 -0.39713 0 1 0 0.00000 HETATM 34 Ag 1.66020 -4.31782 0.04401 0 1 0 0.00000 HETATM 35 Ag 1.85395 -1.55170 0.28131 0 1 0 0.00000 HETATM 36 Ag -2.63695 0.45834 -4.16798 0 1 0 0.00000 HETATM 37 Ag -4.11269 -1.90608 -3.53939 0 1 0 0.00000 HETATM 38 Ag 1.95791 4.07456 -1.03302 0 1 0 0.00000 HETATM 39 Ag 3.01519 -0.10967 -3.21037 0 1 0 0.00000 HETATM 40 Ag 4.07812 2.31114 -2.17376 0 1 0 0.00000 HETATM 41 Ag 3.69826 2.62757 0.61055 0 1 0 0.00000 HETATM 42 Ag -1.10901 2.82087 -4.64217 0 1 0 0.00000 HETATM 43 Ag -0.63227 4.21985 -2.18088 0 1 0 0.00000 HETATM 44 Ag 1.50701 2.62432 -3.51333 0 1 0 0.00000 HETATM 45 Ag 1.75191 1.27573 -1.12982 0 1 0 0.00000 HETATM 46 Ag -0.78499 1.43269 -2.32062 0 1 0 0.00000 HETATM 47 Ag 0.28838 0.28753 -4.63467 0 1 0 0.00000 HETATM 48 Ag 5.70701 1.21949 1.79960 0 1 0 0.00000 HETATM 49 Ag 3.88097 -0.81143 2.34117 0 1 0 0.00000 HETATM 50 Ag 3.42766 1.87130 3.41209 0 1 0 0.00000 HETATM 51 Ag 1.55270 -2.26396 -4.53716 0 1 0 0.00000 HETATM 52 Ag 0.57779 -1.13872 -2.25879 0 1 0 0.00000 HETATM 53 Ag 6.35160 -1.17238 0.61689 0 1 0 0.00000 HETATM 54 Ag 5.40174 -1.43060 -2.03435 0 1 0 0.00000 HETATM 55 Ag 6.32545 1.14901 -0.96009 0 1 0 0.00000 HETATM 56 Ag 2.89848 -2.73146 -2.07560 0 1 0 0.00000 HETATM 57 Ag 4.23229 -2.90989 0.38493 0 1 0 0.00000 HETATM 58 Ag 3.98523 0.00869 -0.29314 0 1 0 0.00000 HETATM 59 Ag -0.39018 0.00880 0.01140 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 20 7 10 21 18 ORDER 1 1 1 1 1 1 1 CONECT 2 17 4 7 10 1 ORDER 2 1 1 1 1 1 CONECT 3 45 6 8 5 7 ORDER 3 1 1 1 1 1 CONECT 4 14 17 6 12 2 ORDER 4 1 1 1 1 1 CONECT 5 3 8 41 7 21 ORDER 5 1 1 1 1 1 CONECT 6 43 17 4 3 8 ORDER 6 1 1 1 1 1 CONECT 7 3 8 5 2 20 1 ORDER 7 1 1 1 1 1 1 CONECT 8 43 38 6 3 5 7 ORDER 8 1 1 1 1 1 1 CONECT 9 13 33 30 11 29 ORDER 9 1 1 1 1 1 CONECT 10 22 2 11 20 1 18 ORDER 10 1 1 1 1 1 1 CONECT 11 13 12 9 22 10 19 ORDER 11 1 1 1 1 1 1 CONECT 12 17 4 22 11 ORDER 12 1 1 1 1 CONECT 13 37 14 15 9 22 11 ORDER 13 1 1 1 1 1 1 CONECT 14 37 16 15 13 17 4 ORDER 14 1 1 1 1 1 1 CONECT 15 31 37 14 23 13 ORDER 15 1 1 1 1 1 CONECT 16 42 36 46 43 14 17 ORDER 16 1 1 1 1 1 1 CONECT 17 16 14 4 6 12 2 ORDER 17 1 1 1 1 1 1 CONECT 18 20 25 10 24 1 26 ORDER 18 1 1 1 1 1 1 CONECT 19 22 11 25 26 ORDER 19 1 1 1 1 CONECT 20 59 7 10 21 1 18 ORDER 20 1 1 1 1 1 1 CONECT 21 27 5 20 50 24 1 ORDER 21 1 1 1 1 1 1 CONECT 22 13 59 12 11 10 19 ORDER 22 1 1 1 1 1 1 CONECT 23 37 15 33 30 ORDER 23 1 1 1 1 CONECT 24 27 25 49 21 26 18 ORDER 24 1 1 1 1 1 1 CONECT 25 59 29 19 24 26 18 ORDER 25 1 1 1 1 1 1 CONECT 26 29 25 28 19 24 18 ORDER 26 1 1 1 1 1 1 CONECT 27 50 21 24 ORDER 27 1 1 1 CONECT 28 34 35 29 49 26 ORDER 28 1 1 1 1 1 CONECT 29 33 30 9 25 28 26 ORDER 29 1 1 1 1 1 1 CONECT 30 32 23 33 9 29 ORDER 30 1 1 1 1 1 CONECT 31 51 36 37 32 52 15 ORDER 31 1 1 1 1 1 1 CONECT 32 51 31 33 30 ORDER 32 1 1 1 1 CONECT 33 32 23 30 34 9 29 ORDER 33 1 1 1 1 1 1 CONECT 34 33 35 57 28 ORDER 34 1 1 1 1 CONECT 35 56 58 59 34 57 28 ORDER 35 1 1 1 1 1 1 CONECT 36 42 47 31 37 16 46 ORDER 36 1 1 1 1 1 1 CONECT 37 36 31 14 23 15 13 ORDER 37 1 1 1 1 1 1 CONECT 38 44 43 8 41 ORDER 38 1 1 1 1 CONECT 39 51 52 40 56 54 45 ORDER 39 1 1 1 1 1 1 CONECT 40 44 39 45 55 41 ORDER 40 1 1 1 1 1 CONECT 41 40 38 58 48 5 50 ORDER 41 1 1 1 1 1 1 CONECT 42 47 36 44 16 46 43 ORDER 42 1 1 1 1 1 1 CONECT 43 42 16 46 38 6 8 ORDER 43 1 1 1 1 1 1 CONECT 44 42 47 40 45 38 ORDER 44 1 1 1 1 1 CONECT 45 44 39 40 58 59 3 ORDER 45 1 1 1 1 1 1 CONECT 46 42 47 36 16 43 ORDER 46 1 1 1 1 1 CONECT 47 42 51 36 44 46 52 ORDER 47 1 1 1 1 1 1 CONECT 48 55 41 53 49 50 ORDER 48 1 1 1 1 1 CONECT 49 58 57 48 28 50 24 ORDER 49 1 1 1 1 1 1 CONECT 50 41 27 48 49 21 ORDER 50 1 1 1 1 1 CONECT 51 47 31 39 32 52 56 ORDER 51 1 1 1 1 1 1 CONECT 52 47 51 31 39 56 59 ORDER 52 1 1 1 1 1 1 CONECT 53 54 55 57 48 ORDER 53 1 1 1 1 CONECT 54 39 56 55 58 53 ORDER 54 1 1 1 1 1 CONECT 55 40 54 58 53 48 ORDER 55 1 1 1 1 1 CONECT 56 51 39 52 54 35 57 ORDER 56 1 1 1 1 1 1 CONECT 57 56 34 35 53 49 ORDER 57 1 1 1 1 1 CONECT 58 54 45 55 35 41 49 ORDER 58 1 1 1 1 1 1 CONECT 59 52 45 35 22 20 25 ORDER 59 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2699255.60 END BIOGRF 200 DESCRP S_5927 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -0.56141 -0.00457 4.73860 0 1 0 0.00000 HETATM 2 Ag -0.72178 -1.43284 2.33319 0 1 0 0.00000 HETATM 3 Ag 0.64213 -2.47574 0.00007 0 1 0 0.00000 HETATM 4 Ag 1.76558 -4.95601 0.00023 0 1 0 0.00000 HETATM 5 Ag 0.45897 -3.97141 2.36454 0 1 0 0.00000 HETATM 6 Ag -0.90500 -2.86033 4.64861 0 1 0 0.00000 HETATM 7 Ag 1.22298 2.11625 -0.00011 0 1 0 0.00000 HETATM 8 Ag 1.37468 3.62355 2.37365 0 1 0 0.00000 HETATM 9 Ag 1.95696 1.15794 3.89194 0 1 0 0.00000 HETATM 10 Ag 1.61623 -1.76086 3.86473 0 1 0 0.00000 HETATM 11 Ag -0.20863 2.85682 4.65590 0 1 0 0.00000 HETATM 12 Ag -0.36440 1.43451 2.33427 0 1 0 0.00000 HETATM 13 Ag 3.56264 1.89530 -1.56923 0 1 0 0.00000 HETATM 14 Ag 1.75226 -0.29035 -1.50215 0 1 0 0.00000 HETATM 15 Ag 4.10101 -0.57393 -2.96041 0 1 0 0.00000 HETATM 16 Ag 3.02741 -2.82324 -1.47264 0 1 0 0.00000 HETATM 17 Ag 5.78412 -2.14361 -1.37626 0 1 0 0.00000 HETATM 18 Ag 4.10105 -0.57360 2.96039 0 1 0 0.00000 HETATM 19 Ag 1.75229 -0.29025 1.50222 0 1 0 0.00000 HETATM 20 Ag 3.02742 -2.82317 1.47288 0 1 0 0.00000 HETATM 21 Ag 5.78414 -2.14359 1.37641 0 1 0 0.00000 HETATM 22 Ag 4.04654 -0.49683 0.00003 0 1 0 0.00000 HETATM 23 Ag 6.14115 0.64671 1.40344 0 1 0 0.00000 HETATM 24 Ag 3.56266 1.89539 1.56901 0 1 0 0.00000 HETATM 25 Ag 6.14112 0.64669 -1.40354 0 1 0 0.00000 HETATM 26 Ag 5.55055 2.99136 -0.00014 0 1 0 0.00000 HETATM 27 Ag 2.96939 4.23219 -0.00014 0 1 0 0.00000 HETATM 28 Ag -1.09363 -4.68887 0.00019 0 1 0 0.00000 HETATM 29 Ag -2.45483 -3.63144 -2.36503 0 1 0 0.00000 HETATM 30 Ag 1.61626 -1.76125 -3.86458 0 1 0 0.00000 HETATM 31 Ag 0.45891 -3.97158 -2.36426 0 1 0 0.00000 HETATM 32 Ag -0.52038 0.00132 -0.00001 0 1 0 0.00000 HETATM 33 Ag -0.36445 1.43427 -2.33435 0 1 0 0.00000 HETATM 34 Ag 1.95695 1.15766 -3.89209 0 1 0 0.00000 HETATM 35 Ag -2.23560 -2.13670 0.00011 0 1 0 0.00000 HETATM 36 Ag -2.45483 -3.63130 2.36538 0 1 0 0.00000 HETATM 37 Ag -0.90505 -2.86076 -4.64830 0 1 0 0.00000 HETATM 38 Ag -0.72184 -1.43306 -2.33310 0 1 0 0.00000 HETATM 39 Ag -0.56150 -0.00496 -4.73861 0 1 0 0.00000 HETATM 40 Ag -3.07691 -1.16654 -3.82717 0 1 0 0.00000 HETATM 41 Ag -0.20866 2.85637 -4.65609 0 1 0 0.00000 HETATM 42 Ag -2.71707 1.74308 -3.82861 0 1 0 0.00000 HETATM 43 Ag -4.61923 -1.88261 -1.45853 0 1 0 0.00000 HETATM 44 Ag -3.94219 -4.26427 0.00022 0 1 0 0.00000 HETATM 45 Ag -2.71710 1.74351 3.82846 0 1 0 0.00000 HETATM 46 Ag -5.14920 0.57015 2.86349 0 1 0 0.00000 HETATM 47 Ag -4.03609 2.82045 -1.45720 0 1 0 0.00000 HETATM 48 Ag -3.07688 -1.16621 3.82729 0 1 0 0.00000 HETATM 49 Ag -4.61919 -1.88252 1.45874 0 1 0 0.00000 HETATM 50 Ag -1.65802 2.48969 -0.00009 0 1 0 0.00000 HETATM 51 Ag 0.07796 4.68030 -0.00022 0 1 0 0.00000 HETATM 52 Ag -4.03610 2.82049 1.45693 0 1 0 0.00000 HETATM 53 Ag -1.51869 3.98791 2.36801 0 1 0 0.00000 HETATM 54 Ag -2.79340 4.96724 -0.00018 0 1 0 0.00000 HETATM 55 Ag 1.37471 3.62335 -2.37394 0 1 0 0.00000 HETATM 56 Ag -1.51869 3.98765 -2.36837 0 1 0 0.00000 HETATM 57 Ag -5.23213 0.58041 -0.00003 0 1 0 0.00000 HETATM 58 Ag -2.84199 0.28590 -1.43626 0 1 0 0.00000 HETATM 59 Ag -5.14921 0.56992 -2.86351 0 1 0 0.00000 HETATM 60 Ag -2.84195 0.28602 1.43621 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 12 48 9 6 11 ORDER 1 1 1 1 1 1 1 CONECT 2 5 36 48 6 1 ORDER 2 1 1 1 1 1 CONECT 3 31 16 32 28 4 5 ORDER 3 1 1 1 1 1 1 CONECT 4 31 16 3 28 20 5 ORDER 4 1 1 1 1 1 1 CONECT 5 3 28 4 2 10 6 ORDER 5 1 1 1 1 1 1 CONECT 6 2 5 36 48 10 1 ORDER 6 1 1 1 1 1 1 CONECT 7 55 13 51 27 32 8 ORDER 7 1 1 1 1 1 1 CONECT 8 51 7 24 12 53 11 ORDER 8 1 1 1 1 1 1 CONECT 9 19 24 11 1 ORDER 9 1 1 1 1 CONECT 10 20 19 5 18 6 ORDER 10 1 1 1 1 1 CONECT 11 12 53 8 45 9 1 ORDER 11 1 1 1 1 1 1 CONECT 12 53 8 45 11 1 ORDER 12 1 1 1 1 1 CONECT 13 15 25 27 26 7 ORDER 13 1 1 1 1 1 CONECT 14 34 30 15 16 32 22 ORDER 14 1 1 1 1 1 1 CONECT 15 30 13 14 16 25 17 ORDER 15 1 1 1 1 1 1 CONECT 16 15 14 17 3 4 ORDER 16 1 1 1 1 1 CONECT 17 15 16 25 22 21 ORDER 17 1 1 1 1 1 CONECT 18 21 23 20 19 24 10 ORDER 18 1 1 1 1 1 1 CONECT 19 32 22 20 18 10 9 ORDER 19 1 1 1 1 1 1 CONECT 20 4 21 19 18 10 ORDER 20 1 1 1 1 1 CONECT 21 17 22 23 20 18 ORDER 21 1 1 1 1 1 CONECT 22 14 25 17 21 23 19 ORDER 22 1 1 1 1 1 1 CONECT 23 25 26 22 21 24 18 ORDER 23 1 1 1 1 1 1 CONECT 24 27 26 23 8 18 9 ORDER 24 1 1 1 1 1 1 CONECT 25 15 13 17 26 22 23 ORDER 25 1 1 1 1 1 1 CONECT 26 13 25 27 23 24 ORDER 26 1 1 1 1 1 CONECT 27 55 13 51 26 7 24 ORDER 27 1 1 1 1 1 1 CONECT 28 31 3 35 44 4 5 ORDER 28 1 1 1 1 1 1 CONECT 29 37 38 35 44 ORDER 29 1 1 1 1 CONECT 30 37 15 31 38 14 ORDER 30 1 1 1 1 1 CONECT 31 37 30 38 3 28 4 ORDER 31 1 1 1 1 1 1 CONECT 32 14 7 50 3 35 19 ORDER 32 1 1 1 1 1 1 CONECT 33 39 41 34 42 55 56 ORDER 33 1 1 1 1 1 1 CONECT 34 39 41 33 14 ORDER 34 1 1 1 1 CONECT 35 29 43 32 28 44 49 ORDER 35 1 1 1 1 1 1 CONECT 36 44 2 6 ORDER 36 1 1 1 CONECT 37 39 30 40 29 31 38 ORDER 37 1 1 1 1 1 1 CONECT 38 39 37 30 40 29 31 ORDER 38 1 1 1 1 1 1 CONECT 39 41 37 34 40 33 38 ORDER 39 1 1 1 1 1 1 CONECT 40 39 37 59 38 43 58 ORDER 40 1 1 1 1 1 1 CONECT 41 39 34 42 55 56 33 ORDER 41 1 1 1 1 1 1 CONECT 42 41 59 56 33 47 58 ORDER 42 1 1 1 1 1 1 CONECT 43 40 59 58 35 44 49 ORDER 43 1 1 1 1 1 1 CONECT 44 29 43 35 28 49 36 ORDER 44 1 1 1 1 1 1 CONECT 45 60 52 12 46 11 ORDER 45 1 1 1 1 1 CONECT 46 57 60 52 49 48 45 ORDER 46 1 1 1 1 1 1 CONECT 47 42 59 58 54 52 ORDER 47 1 1 1 1 1 CONECT 48 60 49 2 46 6 1 ORDER 48 1 1 1 1 1 1 CONECT 49 43 35 44 60 46 48 ORDER 49 1 1 1 1 1 1 CONECT 50 56 51 54 32 52 53 ORDER 50 1 1 1 1 1 1 CONECT 51 55 54 27 7 50 8 ORDER 51 1 1 1 1 1 1 CONECT 52 47 54 50 60 46 45 ORDER 52 1 1 1 1 1 1 CONECT 53 54 50 12 8 11 ORDER 53 1 1 1 1 1 CONECT 54 56 47 51 50 52 53 ORDER 54 1 1 1 1 1 1 CONECT 55 41 56 33 51 27 7 ORDER 55 1 1 1 1 1 1 CONECT 56 41 42 55 33 54 50 ORDER 56 1 1 1 1 1 1 CONECT 57 59 58 60 46 ORDER 57 1 1 1 1 CONECT 58 42 40 59 43 47 57 ORDER 58 1 1 1 1 1 1 CONECT 59 42 40 43 47 58 57 ORDER 59 1 1 1 1 1 1 CONECT 60 57 52 49 46 48 45 ORDER 60 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2745006.41 END BIOGRF 200 DESCRP S_6113 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.71421 1.46458 -3.89363 0 1 0 0.00000 HETATM 2 Ag 2.35859 4.61977 0.00026 0 1 0 0.00000 HETATM 3 Ag 5.08002 -3.69397 -0.00023 0 1 0 0.00000 HETATM 4 Ag 4.05425 0.00020 -2.97297 0 1 0 0.00000 HETATM 5 Ag 3.22836 2.36443 -1.55124 0 1 0 0.00000 HETATM 6 Ag 3.99506 0.00001 0.00002 0 1 0 0.00000 HETATM 7 Ag 3.22841 -2.36440 1.55121 0 1 0 0.00000 HETATM 8 Ag 5.92691 -1.42012 -1.39724 0 1 0 0.00000 HETATM 9 Ag 3.22834 2.36417 1.55155 0 1 0 0.00000 HETATM 10 Ag 5.92687 -1.42026 1.39702 0 1 0 0.00000 HETATM 11 Ag 5.92687 1.42038 -1.39708 0 1 0 0.00000 HETATM 12 Ag 5.92690 1.42012 1.39719 0 1 0 0.00000 HETATM 13 Ag 5.07995 3.69402 0.00018 0 1 0 0.00000 HETATM 14 Ag 0.84474 -3.82608 -2.37162 0 1 0 0.00000 HETATM 15 Ag 0.86604 -2.31641 -0.00018 0 1 0 0.00000 HETATM 16 Ag 1.68576 0.00010 -1.50784 0 1 0 0.00000 HETATM 17 Ag 1.68576 -0.00010 1.50789 0 1 0 0.00000 HETATM 18 Ag 2.35871 -4.61975 -0.00043 0 1 0 0.00000 HETATM 19 Ag 4.05429 -0.00025 2.97296 0 1 0 0.00000 HETATM 20 Ag -2.07656 -3.84117 -2.36566 0 1 0 0.00000 HETATM 21 Ag -0.62523 -1.44548 -2.33495 0 1 0 0.00000 HETATM 22 Ag 0.84469 3.82647 -2.37103 0 1 0 0.00000 HETATM 23 Ag 3.22835 -2.36419 -1.55161 0 1 0 0.00000 HETATM 24 Ag 0.86601 2.31634 0.00017 0 1 0 0.00000 HETATM 25 Ag -0.62520 1.44578 -2.33475 0 1 0 0.00000 HETATM 26 Ag -0.64467 -2.88122 -4.65385 0 1 0 0.00000 HETATM 27 Ag -0.64468 2.88198 -4.65341 0 1 0 0.00000 HETATM 28 Ag -3.00028 1.46843 -3.82495 0 1 0 0.00000 HETATM 29 Ag -2.07656 3.84156 -2.36510 0 1 0 0.00000 HETATM 30 Ag -3.00036 -1.46775 -3.82521 0 1 0 0.00000 HETATM 31 Ag 1.71427 -1.46398 -3.89378 0 1 0 0.00000 HETATM 32 Ag -0.65556 0.00037 -4.74100 0 1 0 0.00000 HETATM 33 Ag -0.59971 0.00001 -0.00003 0 1 0 0.00000 HETATM 34 Ag -0.57483 -4.72127 -0.00041 0 1 0 0.00000 HETATM 35 Ag -2.03423 -2.33327 -0.00018 0 1 0 0.00000 HETATM 36 Ag -4.43504 -2.37095 -1.45558 0 1 0 0.00000 HETATM 37 Ag -3.46224 -4.65499 -0.00039 0 1 0 0.00000 HETATM 38 Ag -0.62519 -1.44586 2.33472 0 1 0 0.00000 HETATM 39 Ag 0.84477 -3.82645 2.37098 0 1 0 0.00000 HETATM 40 Ag -3.00020 -1.46843 3.82494 0 1 0 0.00000 HETATM 41 Ag -2.93974 -0.00015 1.43506 0 1 0 0.00000 HETATM 42 Ag -2.07655 -3.84155 2.36508 0 1 0 0.00000 HETATM 43 Ag -4.43498 -2.37124 1.45521 0 1 0 0.00000 HETATM 44 Ag -0.64466 -2.88205 4.65338 0 1 0 0.00000 HETATM 45 Ag 1.71434 1.46398 3.89377 0 1 0 0.00000 HETATM 46 Ag 1.71432 -1.46463 3.89360 0 1 0 0.00000 HETATM 47 Ag -0.65548 -0.00040 4.74109 0 1 0 0.00000 HETATM 48 Ag -0.64458 2.88120 4.65384 0 1 0 0.00000 HETATM 49 Ag -0.62514 1.44550 2.33501 0 1 0 0.00000 HETATM 50 Ag -5.26661 -0.00025 2.86023 0 1 0 0.00000 HETATM 51 Ag -3.00026 1.46775 3.82523 0 1 0 0.00000 HETATM 52 Ag -2.03414 2.33325 0.00021 0 1 0 0.00000 HETATM 53 Ag -4.43505 2.37127 -1.45523 0 1 0 0.00000 HETATM 54 Ag -3.46217 4.65505 0.00043 0 1 0 0.00000 HETATM 55 Ag -5.26668 0.00023 -2.86009 0 1 0 0.00000 HETATM 56 Ag -4.43495 2.37101 1.45572 0 1 0 0.00000 HETATM 57 Ag -2.07653 3.84111 2.36571 0 1 0 0.00000 HETATM 58 Ag -5.34892 0.00001 0.00002 0 1 0 0.00000 HETATM 59 Ag 0.84473 3.82604 2.37164 0 1 0 0.00000 HETATM 60 Ag -0.57483 4.72136 0.00039 0 1 0 0.00000 HETATM 61 Ag -2.93974 0.00015 -1.43502 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 32 27 31 16 ORDER 1 1 1 1 1 CONECT 2 22 5 24 13 9 59 ORDER 2 1 1 1 1 1 1 CONECT 3 23 8 18 10 7 ORDER 3 1 1 1 1 1 CONECT 4 31 23 5 16 8 11 ORDER 4 1 1 1 1 1 1 CONECT 5 4 11 13 2 ORDER 5 1 1 1 1 CONECT 6 16 8 11 10 12 17 ORDER 6 1 1 1 1 1 1 CONECT 7 18 3 10 19 ORDER 7 1 1 1 1 CONECT 8 4 23 11 3 6 10 ORDER 8 1 1 1 1 1 1 CONECT 9 24 13 2 12 17 19 ORDER 9 1 1 1 1 1 1 CONECT 10 8 3 6 12 7 19 ORDER 10 1 1 1 1 1 1 CONECT 11 4 5 8 6 13 12 ORDER 11 1 1 1 1 1 1 CONECT 12 11 6 13 10 9 19 ORDER 12 1 1 1 1 1 1 CONECT 13 5 11 2 12 9 ORDER 13 1 1 1 1 1 CONECT 14 26 20 21 34 15 ORDER 14 1 1 1 1 1 CONECT 15 14 23 18 34 33 39 ORDER 15 1 1 1 1 1 1 CONECT 16 31 1 4 23 33 6 ORDER 16 1 1 1 1 1 1 CONECT 17 33 6 9 19 46 45 ORDER 17 1 1 1 1 1 1 CONECT 18 23 34 3 15 7 39 ORDER 18 1 1 1 1 1 1 CONECT 19 10 12 17 7 9 45 ORDER 19 1 1 1 1 1 1 CONECT 20 26 14 21 36 37 35 ORDER 20 1 1 1 1 1 1 CONECT 21 32 26 30 14 20 ORDER 21 1 1 1 1 1 CONECT 22 27 29 25 24 2 60 ORDER 22 1 1 1 1 1 1 CONECT 23 4 16 8 18 3 15 ORDER 23 1 1 1 1 1 1 CONECT 24 22 33 2 60 9 59 ORDER 24 1 1 1 1 1 1 CONECT 25 32 27 28 22 29 ORDER 25 1 1 1 1 1 CONECT 26 32 31 30 14 20 21 ORDER 26 1 1 1 1 1 1 CONECT 27 32 1 28 22 29 25 ORDER 27 1 1 1 1 1 1 CONECT 28 27 55 25 53 61 ORDER 28 1 1 1 1 1 CONECT 29 27 22 25 53 52 54 ORDER 29 1 1 1 1 1 1 CONECT 30 26 55 21 36 61 ORDER 30 1 1 1 1 1 CONECT 31 32 26 1 4 16 ORDER 31 1 1 1 1 1 CONECT 32 26 27 31 1 21 25 ORDER 32 1 1 1 1 1 1 CONECT 33 16 35 15 24 52 17 ORDER 33 1 1 1 1 1 1 CONECT 34 14 18 37 35 15 39 ORDER 34 1 1 1 1 1 1 CONECT 35 20 34 37 33 43 42 ORDER 35 1 1 1 1 1 1 CONECT 36 30 55 20 61 37 43 ORDER 36 1 1 1 1 1 1 CONECT 37 20 36 34 35 43 42 ORDER 37 1 1 1 1 1 1 CONECT 38 42 39 40 46 44 47 ORDER 38 1 1 1 1 1 1 CONECT 39 18 34 15 38 42 44 ORDER 39 1 1 1 1 1 1 CONECT 40 41 43 38 50 44 ORDER 40 1 1 1 1 1 CONECT 41 58 43 56 50 40 51 ORDER 41 1 1 1 1 1 1 CONECT 42 37 35 38 39 44 ORDER 42 1 1 1 1 1 CONECT 43 36 37 35 41 50 40 ORDER 43 1 1 1 1 1 1 CONECT 44 38 42 39 40 46 47 ORDER 44 1 1 1 1 1 1 CONECT 45 17 49 19 46 48 47 ORDER 45 1 1 1 1 1 1 CONECT 46 17 38 45 44 47 ORDER 46 1 1 1 1 1 CONECT 47 38 49 46 45 44 48 ORDER 47 1 1 1 1 1 1 CONECT 48 49 57 59 51 45 47 ORDER 48 1 1 1 1 1 1 CONECT 49 57 59 51 45 48 47 ORDER 49 1 1 1 1 1 1 CONECT 50 58 41 43 56 40 51 ORDER 50 1 1 1 1 1 1 CONECT 51 41 56 49 57 50 48 ORDER 51 1 1 1 1 1 1 CONECT 52 29 33 60 54 56 57 ORDER 52 1 1 1 1 1 1 CONECT 53 28 55 29 61 54 56 ORDER 53 1 1 1 1 1 1 CONECT 54 29 53 52 60 56 57 ORDER 54 1 1 1 1 1 1 CONECT 55 30 28 36 53 61 58 ORDER 55 1 1 1 1 1 1 CONECT 56 53 52 54 41 50 51 ORDER 56 1 1 1 1 1 1 CONECT 57 52 54 49 59 51 48 ORDER 57 1 1 1 1 1 1 CONECT 58 55 61 41 50 ORDER 58 1 1 1 1 CONECT 59 24 2 60 49 57 48 ORDER 59 1 1 1 1 1 1 CONECT 60 22 24 52 54 59 ORDER 60 1 1 1 1 1 CONECT 61 30 28 55 36 53 58 ORDER 61 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2790756.28 END BIOGRF 200 DESCRP S_6302 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 2.20341 3.83952 2.36502 0 1 0 0.00000 HETATM 2 Ag 0.74759 1.44437 2.33338 0 1 0 0.00000 HETATM 3 Ag -1.58956 1.46295 3.88637 0 1 0 0.00000 HETATM 4 Ag -2.22383 4.62804 -0.00018 0 1 0 0.00000 HETATM 5 Ag 0.70709 4.72541 -0.00016 0 1 0 0.00000 HETATM 6 Ag -1.57161 0.00007 1.49274 0 1 0 0.00000 HETATM 7 Ag 0.76862 2.88069 4.65249 0 1 0 0.00000 HETATM 8 Ag -3.09666 2.36812 1.54474 0 1 0 0.00000 HETATM 9 Ag -0.71586 3.83030 2.37148 0 1 0 0.00000 HETATM 10 Ag -5.81149 1.45633 1.42864 0 1 0 0.00000 HETATM 11 Ag -4.94373 3.71478 -0.00016 0 1 0 0.00000 HETATM 12 Ag -0.73317 2.32198 -0.00009 0 1 0 0.00000 HETATM 13 Ag -3.09661 -2.36811 1.54490 0 1 0 0.00000 HETATM 14 Ag -5.81149 -1.45625 1.42881 0 1 0 0.00000 HETATM 15 Ag -3.92624 0.00004 2.97223 0 1 0 0.00000 HETATM 16 Ag 3.12400 1.46778 3.82435 0 1 0 0.00000 HETATM 17 Ag 2.16224 2.33277 -0.00006 0 1 0 0.00000 HETATM 18 Ag 0.72474 -0.00003 -0.00004 0 1 0 0.00000 HETATM 19 Ag 0.77960 0.00014 4.74084 0 1 0 0.00000 HETATM 20 Ag -0.71579 -3.83013 2.37173 0 1 0 0.00000 HETATM 21 Ag 0.74770 -1.44413 2.33340 0 1 0 0.00000 HETATM 22 Ag 0.76871 -2.88040 4.65268 0 1 0 0.00000 HETATM 23 Ag -1.58950 -1.46274 3.88646 0 1 0 0.00000 HETATM 24 Ag 3.12405 -1.46747 3.82448 0 1 0 0.00000 HETATM 25 Ag 4.56259 -2.37022 1.45603 0 1 0 0.00000 HETATM 26 Ag 5.39177 0.00022 2.86098 0 1 0 0.00000 HETATM 27 Ag 3.06501 0.00008 1.43502 0 1 0 0.00000 HETATM 28 Ag 5.47451 0.00009 -0.00001 0 1 0 0.00000 HETATM 29 Ag 4.56243 2.37048 1.45585 0 1 0 0.00000 HETATM 30 Ag 3.59183 4.65390 -0.00017 0 1 0 0.00000 HETATM 31 Ag 2.20351 -3.83927 2.36538 0 1 0 0.00000 HETATM 32 Ag -5.81146 1.45625 -1.42878 0 1 0 0.00000 HETATM 33 Ag -7.65365 0.00007 -0.00001 0 1 0 0.00000 HETATM 34 Ag -5.81155 -1.45636 -1.42871 0 1 0 0.00000 HETATM 35 Ag -3.92624 -0.00016 -2.97218 0 1 0 0.00000 HETATM 36 Ag -4.94381 -3.71476 0.00010 0 1 0 0.00000 HETATM 37 Ag -3.09664 2.36800 -1.54491 0 1 0 0.00000 HETATM 38 Ag -1.58959 1.46257 -3.88649 0 1 0 0.00000 HETATM 39 Ag -1.58954 -1.46308 -3.88631 0 1 0 0.00000 HETATM 40 Ag -1.57159 -0.00014 -1.49277 0 1 0 0.00000 HETATM 41 Ag -3.09659 -2.36820 -1.54465 0 1 0 0.00000 HETATM 42 Ag -3.91515 0.00003 -0.00001 0 1 0 0.00000 HETATM 43 Ag -2.22378 -4.62800 0.00015 0 1 0 0.00000 HETATM 44 Ag 0.70719 -4.72546 0.00017 0 1 0 0.00000 HETATM 45 Ag -0.71578 -3.83030 -2.37148 0 1 0 0.00000 HETATM 46 Ag -0.73316 -2.32193 0.00009 0 1 0 0.00000 HETATM 47 Ag 0.74759 1.44410 -2.33345 0 1 0 0.00000 HETATM 48 Ag -0.71586 3.83000 -2.37179 0 1 0 0.00000 HETATM 49 Ag 0.76868 2.88029 -4.65271 0 1 0 0.00000 HETATM 50 Ag 2.20339 3.83933 -2.36543 0 1 0 0.00000 HETATM 51 Ag 4.56250 2.37036 -1.45600 0 1 0 0.00000 HETATM 52 Ag 5.39174 -0.00004 -2.86106 0 1 0 0.00000 HETATM 53 Ag 3.06496 -0.00003 -1.43504 0 1 0 0.00000 HETATM 54 Ag 3.12401 1.46749 -3.82444 0 1 0 0.00000 HETATM 55 Ag 0.77955 -0.00020 -4.74080 0 1 0 0.00000 HETATM 56 Ag 2.16225 -2.33264 0.00008 0 1 0 0.00000 HETATM 57 Ag 3.59201 -4.65381 0.00022 0 1 0 0.00000 HETATM 58 Ag 2.20358 -3.83947 -2.36506 0 1 0 0.00000 HETATM 59 Ag 3.12407 -1.46776 -3.82431 0 1 0 0.00000 HETATM 60 Ag 4.56256 -2.37033 -1.45583 0 1 0 0.00000 HETATM 61 Ag 0.76877 -2.88077 -4.65242 0 1 0 0.00000 HETATM 62 Ag 0.74770 -1.44437 -2.33332 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 30 17 2 9 7 ORDER 1 1 1 1 1 1 CONECT 2 1 9 16 3 7 ORDER 2 1 1 1 1 1 CONECT 3 6 2 15 23 7 19 ORDER 3 1 1 1 1 1 1 CONECT 4 48 37 11 12 8 9 ORDER 4 1 1 1 1 1 1 CONECT 5 48 30 12 17 9 ORDER 5 1 1 1 1 1 CONECT 6 18 42 8 15 3 23 ORDER 6 1 1 1 1 1 1 CONECT 7 2 1 9 16 3 19 ORDER 7 1 1 1 1 1 1 CONECT 8 4 11 10 6 15 ORDER 8 1 1 1 1 1 CONECT 9 4 5 12 2 1 7 ORDER 9 1 1 1 1 1 1 CONECT 10 32 11 33 42 8 15 ORDER 10 1 1 1 1 1 1 CONECT 11 37 32 4 10 8 ORDER 11 1 1 1 1 1 CONECT 12 48 37 4 5 18 9 ORDER 12 1 1 1 1 1 1 CONECT 13 36 43 14 20 15 ORDER 13 1 1 1 1 1 CONECT 14 34 33 42 36 13 15 ORDER 14 1 1 1 1 1 1 CONECT 15 10 14 6 8 13 3 ORDER 15 1 1 1 1 1 1 CONECT 16 27 29 2 26 7 ORDER 16 1 1 1 1 1 CONECT 17 50 30 5 18 29 1 ORDER 17 1 1 1 1 1 1 CONECT 18 40 12 17 56 46 6 ORDER 18 1 1 1 1 1 1 CONECT 19 21 24 3 23 7 22 ORDER 19 1 1 1 1 1 1 CONECT 20 46 44 13 21 31 22 ORDER 20 1 1 1 1 1 1 CONECT 21 31 20 24 23 22 19 ORDER 21 1 1 1 1 1 1 CONECT 22 21 31 20 24 23 19 ORDER 22 1 1 1 1 1 1 CONECT 23 6 21 3 22 19 ORDER 23 1 1 1 1 1 CONECT 24 27 25 21 26 22 19 ORDER 24 1 1 1 1 1 1 CONECT 25 60 57 27 26 24 ORDER 25 1 1 1 1 1 CONECT 26 28 27 29 25 16 24 ORDER 26 1 1 1 1 1 1 CONECT 27 28 29 25 26 16 24 ORDER 27 1 1 1 1 1 1 CONECT 28 52 53 27 26 ORDER 28 1 1 1 1 CONECT 29 51 30 17 27 26 16 ORDER 29 1 1 1 1 1 1 CONECT 30 50 51 5 17 29 1 ORDER 30 1 1 1 1 1 1 CONECT 31 56 57 21 20 22 ORDER 31 1 1 1 1 1 CONECT 32 35 37 11 33 42 10 ORDER 32 1 1 1 1 1 1 CONECT 33 32 34 10 14 ORDER 33 1 1 1 1 CONECT 34 35 41 33 42 36 14 ORDER 34 1 1 1 1 1 1 CONECT 35 38 37 41 40 32 34 ORDER 35 1 1 1 1 1 1 CONECT 36 41 34 43 14 13 ORDER 36 1 1 1 1 1 CONECT 37 35 32 4 11 12 ORDER 37 1 1 1 1 1 CONECT 38 55 49 39 35 47 40 ORDER 38 1 1 1 1 1 1 CONECT 39 55 61 38 62 40 ORDER 39 1 1 1 1 1 CONECT 40 38 39 35 41 18 42 ORDER 40 1 1 1 1 1 1 CONECT 41 35 40 34 46 36 43 ORDER 41 1 1 1 1 1 1 CONECT 42 40 32 34 10 14 6 ORDER 42 1 1 1 1 1 1 CONECT 43 45 41 46 36 44 13 ORDER 43 1 1 1 1 1 1 CONECT 44 45 56 46 43 57 20 ORDER 44 1 1 1 1 1 1 CONECT 45 61 58 62 46 43 44 ORDER 45 1 1 1 1 1 1 CONECT 46 45 41 18 43 44 20 ORDER 46 1 1 1 1 1 1 CONECT 47 55 49 38 54 48 50 ORDER 47 1 1 1 1 1 1 CONECT 48 49 50 47 4 5 12 ORDER 48 1 1 1 1 1 1 CONECT 49 55 38 54 48 50 47 ORDER 49 1 1 1 1 1 1 CONECT 50 49 48 47 51 30 17 ORDER 50 1 1 1 1 1 1 CONECT 51 54 52 50 53 30 29 ORDER 51 1 1 1 1 1 1 CONECT 52 54 59 51 60 53 28 ORDER 52 1 1 1 1 1 1 CONECT 53 54 59 52 51 60 28 ORDER 53 1 1 1 1 1 1 CONECT 54 49 52 47 51 53 ORDER 54 1 1 1 1 1 CONECT 55 49 61 38 39 47 62 ORDER 55 1 1 1 1 1 1 CONECT 56 58 60 18 44 57 31 ORDER 56 1 1 1 1 1 1 CONECT 57 58 60 56 44 25 31 ORDER 57 1 1 1 1 1 1 CONECT 58 61 45 62 56 57 ORDER 58 1 1 1 1 1 CONECT 59 61 52 62 60 53 ORDER 59 1 1 1 1 1 CONECT 60 59 52 53 56 57 25 ORDER 60 1 1 1 1 1 1 CONECT 61 55 39 59 45 58 62 ORDER 61 1 1 1 1 1 1 CONECT 62 55 61 39 59 45 58 ORDER 62 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2836505.53 END BIOGRF 200 DESCRP S_6494 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -3.47457 -1.82131 -0.19242 0 1 0 0.00000 HETATM 2 Ag -2.84546 -3.66270 2.02007 0 1 0 0.00000 HETATM 3 Ag -3.17762 -0.86892 2.58579 0 1 0 0.00000 HETATM 4 Ag -6.02573 -0.59566 -0.43357 0 1 0 0.00000 HETATM 5 Ag -5.66723 0.41760 2.15673 0 1 0 0.00000 HETATM 6 Ag -3.42440 1.95274 3.04107 0 1 0 0.00000 HETATM 7 Ag -1.67353 -0.04135 -1.27448 0 1 0 0.00000 HETATM 8 Ag -3.74547 0.97354 0.26555 0 1 0 0.00000 HETATM 9 Ag -5.62854 2.09885 -1.38774 0 1 0 0.00000 HETATM 10 Ag -4.19800 -0.08159 -2.49914 0 1 0 0.00000 HETATM 11 Ag -5.40530 -2.38242 1.66554 0 1 0 0.00000 HETATM 12 Ag -4.47057 -4.38477 -0.11705 0 1 0 0.00000 HETATM 13 Ag -1.00319 -1.84150 1.02052 0 1 0 0.00000 HETATM 14 Ag 0.87500 -0.47580 2.70759 0 1 0 0.00000 HETATM 15 Ag -5.15110 -2.68381 -2.17466 0 1 0 0.00000 HETATM 16 Ag -0.92462 -2.34998 3.77146 0 1 0 0.00000 HETATM 17 Ag -1.22043 0.51053 4.29688 0 1 0 0.00000 HETATM 18 Ag -5.24363 3.08908 1.20947 0 1 0 0.00000 HETATM 19 Ag 0.98813 -0.95223 5.39147 0 1 0 0.00000 HETATM 20 Ag 3.84680 2.23699 2.80738 0 1 0 0.00000 HETATM 21 Ag 1.87542 4.28795 3.20489 0 1 0 0.00000 HETATM 22 Ag 1.31170 2.15132 1.60726 0 1 0 0.00000 HETATM 23 Ag -1.29794 0.97414 1.53775 0 1 0 0.00000 HETATM 24 Ag 1.44950 1.69811 4.37799 0 1 0 0.00000 HETATM 25 Ag -2.40857 3.48299 0.81405 0 1 0 0.00000 HETATM 26 Ag -0.76391 3.17318 3.19552 0 1 0 0.00000 HETATM 27 Ag -4.23019 4.49109 -0.98749 0 1 0 0.00000 HETATM 28 Ag -0.32074 2.41560 -0.77140 0 1 0 0.00000 HETATM 29 Ag 0.26637 4.63466 0.84672 0 1 0 0.00000 HETATM 30 Ag 3.12205 4.05651 0.63155 0 1 0 0.00000 HETATM 31 Ag -1.41125 4.81393 -1.53471 0 1 0 0.00000 HETATM 32 Ag -2.83124 2.40092 -2.10036 0 1 0 0.00000 HETATM 33 Ag 0.69418 0.47811 -2.70940 0 1 0 0.00000 HETATM 34 Ag 1.47588 4.31416 -1.78116 0 1 0 0.00000 HETATM 35 Ag -0.36755 2.92945 -3.53744 0 1 0 0.00000 HETATM 36 Ag -0.35487 -4.30773 -3.18507 0 1 0 0.00000 HETATM 37 Ag 0.62372 0.94365 -5.39614 0 1 0 0.00000 HETATM 38 Ag -2.37084 -2.29371 -2.85127 0 1 0 0.00000 HETATM 39 Ag 2.79265 -0.53045 -4.25733 0 1 0 0.00000 HETATM 40 Ag 0.11539 -1.71646 -4.35677 0 1 0 0.00000 HETATM 41 Ag -1.80293 0.41109 -4.02235 0 1 0 0.00000 HETATM 42 Ag 2.82336 -0.99050 -1.48657 0 1 0 0.00000 HETATM 43 Ag 2.48571 2.35970 -3.74234 0 1 0 0.00000 HETATM 44 Ag 4.66136 0.86539 -2.50587 0 1 0 0.00000 HETATM 45 Ag 4.28653 3.67256 -1.95643 0 1 0 0.00000 HETATM 46 Ag 4.89596 -1.97164 -2.96442 0 1 0 0.00000 HETATM 47 Ag 2.51773 1.84330 -0.98052 0 1 0 0.00000 HETATM 48 Ag 5.07387 1.92151 0.17865 0 1 0 0.00000 HETATM 49 Ag 0.17623 -2.16551 -1.59203 0 1 0 0.00000 HETATM 50 Ag -1.67134 -4.07142 -0.61614 0 1 0 0.00000 HETATM 51 Ag 2.29492 -3.19515 -3.12613 0 1 0 0.00000 HETATM 52 Ag 2.81803 -4.81487 1.56594 0 1 0 0.00000 HETATM 53 Ag -0.00279 -4.32020 1.80946 0 1 0 0.00000 HETATM 54 Ag 1.22555 -4.64100 -0.81628 0 1 0 0.00000 HETATM 55 Ag 0.74529 0.00120 -0.00032 0 1 0 0.00000 HETATM 56 Ag 1.79173 -2.41281 0.78651 0 1 0 0.00000 HETATM 57 Ag 3.91239 -3.45912 -0.71495 0 1 0 0.00000 HETATM 58 Ag 5.38079 -0.95055 -0.33319 0 1 0 0.00000 HETATM 59 Ag 3.39783 -0.43431 3.92227 0 1 0 0.00000 HETATM 60 Ag 4.33014 -2.39968 1.97526 0 1 0 0.00000 HETATM 61 Ag 5.70608 0.10403 2.31184 0 1 0 0.00000 HETATM 62 Ag 1.92068 -2.93898 3.53857 0 1 0 0.00000 HETATM 63 Ag 3.23255 0.05224 1.16139 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 15 7 4 12 13 11 ORDER 1 1 1 1 1 1 1 CONECT 2 50 12 13 11 3 16 ORDER 2 1 1 1 1 1 1 CONECT 3 23 11 2 5 6 ORDER 3 1 1 1 1 1 CONECT 4 10 15 1 8 11 5 ORDER 4 1 1 1 1 1 1 CONECT 5 4 8 18 11 3 6 ORDER 5 1 1 1 1 1 1 CONECT 6 25 18 23 5 3 17 ORDER 6 1 1 1 1 1 1 CONECT 7 41 10 1 55 8 ORDER 7 1 1 1 1 1 CONECT 8 9 7 4 18 23 5 ORDER 8 1 1 1 1 1 1 CONECT 9 10 32 27 8 18 ORDER 9 1 1 1 1 1 CONECT 10 41 15 32 9 7 4 ORDER 10 1 1 1 1 1 1 CONECT 11 4 1 12 2 5 3 ORDER 11 1 1 1 1 1 1 CONECT 12 15 50 1 11 2 ORDER 12 1 1 1 1 1 CONECT 13 50 1 55 53 2 16 ORDER 13 1 1 1 1 1 1 CONECT 14 62 16 59 24 19 ORDER 14 1 1 1 1 1 CONECT 15 38 10 4 1 12 ORDER 15 1 1 1 1 1 CONECT 16 13 2 14 62 17 19 ORDER 16 1 1 1 1 1 1 CONECT 17 23 6 26 16 24 19 ORDER 17 1 1 1 1 1 1 CONECT 18 9 27 8 25 5 6 ORDER 18 1 1 1 1 1 1 CONECT 19 14 62 16 59 17 24 ORDER 19 1 1 1 1 1 1 CONECT 20 48 63 22 61 21 24 ORDER 20 1 1 1 1 1 1 CONECT 21 30 29 22 20 26 24 ORDER 21 1 1 1 1 1 1 CONECT 22 55 30 29 20 26 21 ORDER 22 1 1 1 1 1 1 CONECT 23 55 8 3 6 26 17 ORDER 23 1 1 1 1 1 1 CONECT 24 14 20 26 21 17 19 ORDER 24 1 1 1 1 1 1 CONECT 25 31 27 28 18 6 26 ORDER 25 1 1 1 1 1 1 CONECT 26 25 23 22 21 17 24 ORDER 26 1 1 1 1 1 1 CONECT 27 32 31 9 25 18 ORDER 27 1 1 1 1 1 CONECT 28 35 34 31 25 29 ORDER 28 1 1 1 1 1 CONECT 29 34 31 28 30 22 21 ORDER 29 1 1 1 1 1 1 CONECT 30 45 47 29 22 21 ORDER 30 1 1 1 1 1 CONECT 31 32 34 27 28 25 29 ORDER 31 1 1 1 1 1 1 CONECT 32 41 35 10 31 9 27 ORDER 32 1 1 1 1 1 1 CONECT 33 37 40 39 43 35 ORDER 33 1 1 1 1 1 CONECT 34 35 45 31 47 28 29 ORDER 34 1 1 1 1 1 1 CONECT 35 37 43 33 32 34 28 ORDER 35 1 1 1 1 1 1 CONECT 36 40 51 38 49 54 50 ORDER 36 1 1 1 1 1 1 CONECT 37 40 39 41 43 35 33 ORDER 37 1 1 1 1 1 1 CONECT 38 41 36 15 50 ORDER 38 1 1 1 1 CONECT 39 37 46 33 ORDER 39 1 1 1 CONECT 40 37 41 36 51 33 49 ORDER 40 1 1 1 1 1 1 CONECT 41 37 40 38 10 32 7 ORDER 41 1 1 1 1 1 1 CONECT 42 51 46 44 57 58 55 ORDER 42 1 1 1 1 1 1 CONECT 43 37 35 33 44 45 ORDER 43 1 1 1 1 1 CONECT 44 43 46 45 42 47 48 ORDER 44 1 1 1 1 1 1 CONECT 45 43 44 34 47 48 30 ORDER 45 1 1 1 1 1 1 CONECT 46 39 51 44 42 57 58 ORDER 46 1 1 1 1 1 1 CONECT 47 44 45 34 55 48 30 ORDER 47 1 1 1 1 1 1 CONECT 48 44 45 47 63 61 20 ORDER 48 1 1 1 1 1 1 CONECT 49 40 36 51 54 50 ORDER 49 1 1 1 1 1 CONECT 50 36 38 49 12 13 2 ORDER 50 1 1 1 1 1 1 CONECT 51 40 36 46 49 42 57 ORDER 51 1 1 1 1 1 1 CONECT 52 54 57 56 53 60 62 ORDER 52 1 1 1 1 1 1 CONECT 53 54 56 13 52 62 ORDER 53 1 1 1 1 1 CONECT 54 36 49 56 52 53 ORDER 54 1 1 1 1 1 CONECT 55 42 7 47 13 23 22 ORDER 55 1 1 1 1 1 1 CONECT 56 54 57 52 53 60 62 ORDER 56 1 1 1 1 1 1 CONECT 57 51 46 42 56 52 ORDER 57 1 1 1 1 1 CONECT 58 46 42 63 60 61 ORDER 58 1 1 1 1 1 CONECT 59 63 60 61 14 19 ORDER 59 1 1 1 1 1 CONECT 60 58 56 63 52 61 59 ORDER 60 1 1 1 1 1 1 CONECT 61 58 48 63 60 20 59 ORDER 61 1 1 1 1 1 1 CONECT 62 56 52 53 14 16 19 ORDER 62 1 1 1 1 1 1 CONECT 63 58 48 60 61 20 59 ORDER 63 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2882253.20 END BIOGRF 200 DESCRP S_6689 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -1.06708 -1.43572 1.39984 0 1 0 0.00000 HETATM 2 Ag -0.91165 -1.45727 4.19308 0 1 0 0.00000 HETATM 3 Ag 1.86206 -2.36528 3.98727 0 1 0 0.00000 HETATM 4 Ag -2.62207 2.36177 -2.38093 0 1 0 0.00000 HETATM 5 Ag -5.40140 2.46044 -1.54813 0 1 0 0.00000 HETATM 6 Ag -3.56624 1.43579 0.22342 0 1 0 0.00000 HETATM 7 Ag -0.05677 2.34425 -1.15568 0 1 0 0.00000 HETATM 8 Ag 1.86550 3.84322 -2.53407 0 1 0 0.00000 HETATM 9 Ag 4.58826 2.88788 -2.67210 0 1 0 0.00000 HETATM 10 Ag -3.77011 4.74089 -1.62545 0 1 0 0.00000 HETATM 11 Ag 0.80375 4.73886 0.02587 0 1 0 0.00000 HETATM 12 Ag -0.95282 4.67293 -2.29877 0 1 0 0.00000 HETATM 13 Ag -4.80494 3.83846 0.81162 0 1 0 0.00000 HETATM 14 Ag -1.06713 1.43559 1.39987 0 1 0 0.00000 HETATM 15 Ag 1.01043 -0.00006 2.75218 0 1 0 0.00000 HETATM 16 Ag 3.33110 -0.00006 1.06770 0 1 0 0.00000 HETATM 17 Ag 1.64299 2.33158 1.18551 0 1 0 0.00000 HETATM 18 Ag 5.84988 -0.00002 2.11846 0 1 0 0.00000 HETATM 19 Ag 1.86202 2.36507 3.98747 0 1 0 0.00000 HETATM 20 Ag 3.58116 3.83969 -0.16515 0 1 0 0.00000 HETATM 21 Ag 1.20082 -0.00019 5.47442 0 1 0 0.00000 HETATM 22 Ag 4.22711 2.36707 2.27740 0 1 0 0.00000 HETATM 23 Ag 3.57985 -0.00014 3.86642 0 1 0 0.00000 HETATM 24 Ag -0.25480 3.82352 2.62085 0 1 0 0.00000 HETATM 25 Ag -0.91163 1.45697 4.19310 0 1 0 0.00000 HETATM 26 Ag 2.47947 4.64740 2.35790 0 1 0 0.00000 HETATM 27 Ag 5.29811 1.46786 -0.28398 0 1 0 0.00000 HETATM 28 Ag -1.97244 3.86676 0.26791 0 1 0 0.00000 HETATM 29 Ag -3.02810 2.86217 2.76273 0 1 0 0.00000 HETATM 30 Ag -5.45271 1.42798 2.21905 0 1 0 0.00000 HETATM 31 Ag -5.99802 0.00004 -0.14231 0 1 0 0.00000 HETATM 32 Ag -3.02807 -2.86231 2.76263 0 1 0 0.00000 HETATM 33 Ag -3.07145 -0.00003 2.80224 0 1 0 0.00000 HETATM 34 Ag -5.45273 -1.42811 2.21899 0 1 0 0.00000 HETATM 35 Ag -1.97234 -3.86675 0.26775 0 1 0 0.00000 HETATM 36 Ag 3.58121 -3.83964 -0.16537 0 1 0 0.00000 HETATM 37 Ag 2.47952 -4.64753 2.35764 0 1 0 0.00000 HETATM 38 Ag -0.25474 -3.82363 2.62058 0 1 0 0.00000 HETATM 39 Ag 4.22706 -2.36716 2.27720 0 1 0 0.00000 HETATM 40 Ag 1.64305 -2.33161 1.18539 0 1 0 0.00000 HETATM 41 Ag -0.05676 -2.34411 -1.15589 0 1 0 0.00000 HETATM 42 Ag 2.69575 -1.45001 -1.33742 0 1 0 0.00000 HETATM 43 Ag 2.59161 1.47835 -4.14332 0 1 0 0.00000 HETATM 44 Ag 0.79969 0.00000 0.00509 0 1 0 0.00000 HETATM 45 Ag 2.59162 -1.47809 -4.14335 0 1 0 0.00000 HETATM 46 Ag -0.95282 -4.67282 -2.29899 0 1 0 0.00000 HETATM 47 Ag 0.67240 0.00009 -2.74442 0 1 0 0.00000 HETATM 48 Ag 1.86559 -3.84297 -2.53434 0 1 0 0.00000 HETATM 49 Ag 0.53612 0.00018 -5.47039 0 1 0 0.00000 HETATM 50 Ag -0.17605 -2.37634 -3.96396 0 1 0 0.00000 HETATM 51 Ag 4.58833 -2.88768 -2.67233 0 1 0 0.00000 HETATM 52 Ag 0.80378 -4.73882 0.02560 0 1 0 0.00000 HETATM 53 Ag 5.29821 -1.46784 -0.28414 0 1 0 0.00000 HETATM 54 Ag 2.69572 1.45010 -1.33739 0 1 0 0.00000 HETATM 55 Ag 4.65992 0.00008 -2.72011 0 1 0 0.00000 HETATM 56 Ag -3.56629 -1.43579 0.22337 0 1 0 0.00000 HETATM 57 Ag -1.86616 0.00010 -3.96827 0 1 0 0.00000 HETATM 58 Ag -1.66425 -0.00005 -1.17304 0 1 0 0.00000 HETATM 59 Ag -2.62209 -2.36165 -2.38097 0 1 0 0.00000 HETATM 60 Ag -4.23797 0.00006 -2.31235 0 1 0 0.00000 HETATM 61 Ag -0.17608 2.37649 -3.96384 0 1 0 0.00000 HETATM 62 Ag -3.77012 -4.74092 -1.62556 0 1 0 0.00000 HETATM 63 Ag -4.80488 -3.83855 0.81162 0 1 0 0.00000 HETATM 64 Ag -5.40138 -2.46049 -1.54818 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 44 56 35 38 32 2 ORDER 1 1 1 1 1 1 1 CONECT 2 1 38 32 25 21 ORDER 2 1 1 1 1 1 CONECT 3 39 37 38 15 21 ORDER 3 1 1 1 1 1 CONECT 4 60 12 10 5 ORDER 4 1 1 1 1 CONECT 5 4 60 10 31 6 13 ORDER 5 1 1 1 1 1 1 CONECT 6 5 58 31 13 14 30 ORDER 6 1 1 1 1 1 1 CONECT 7 61 8 12 11 28 ORDER 7 1 1 1 1 1 CONECT 8 61 9 54 7 20 11 ORDER 8 1 1 1 1 1 1 CONECT 9 43 55 8 54 27 20 ORDER 9 1 1 1 1 1 1 CONECT 10 4 12 5 28 13 ORDER 10 1 1 1 1 1 CONECT 11 8 12 7 17 26 ORDER 11 1 1 1 1 1 CONECT 12 4 10 7 11 28 ORDER 12 1 1 1 1 1 CONECT 13 10 5 6 28 30 29 ORDER 13 1 1 1 1 1 1 CONECT 14 44 6 28 24 29 25 ORDER 14 1 1 1 1 1 1 CONECT 15 23 3 19 25 21 ORDER 15 1 1 1 1 1 CONECT 16 53 27 44 18 39 22 ORDER 16 1 1 1 1 1 1 CONECT 17 20 11 22 26 24 ORDER 17 1 1 1 1 1 CONECT 18 53 27 16 39 22 23 ORDER 18 1 1 1 1 1 1 CONECT 19 22 26 24 15 23 21 ORDER 19 1 1 1 1 1 1 CONECT 20 9 8 54 17 26 ORDER 20 1 1 1 1 1 CONECT 21 15 23 3 19 2 25 ORDER 21 1 1 1 1 1 1 CONECT 22 27 16 17 18 26 19 ORDER 22 1 1 1 1 1 1 CONECT 23 18 15 19 21 ORDER 23 1 1 1 1 CONECT 24 17 14 26 19 25 ORDER 24 1 1 1 1 1 CONECT 25 14 24 15 29 2 21 ORDER 25 1 1 1 1 1 1 CONECT 26 20 11 17 22 24 19 ORDER 26 1 1 1 1 1 1 CONECT 27 9 54 16 18 22 ORDER 27 1 1 1 1 1 CONECT 28 12 10 7 13 14 29 ORDER 28 1 1 1 1 1 1 CONECT 29 28 13 14 30 33 25 ORDER 29 1 1 1 1 1 1 CONECT 30 31 6 13 34 29 33 ORDER 30 1 1 1 1 1 1 CONECT 31 60 5 56 6 34 30 ORDER 31 1 1 1 1 1 1 CONECT 32 35 63 1 34 33 2 ORDER 32 1 1 1 1 1 1 CONECT 33 34 30 32 29 ORDER 33 1 1 1 1 CONECT 34 31 56 63 30 32 33 ORDER 34 1 1 1 1 1 1 CONECT 35 46 62 41 63 1 32 ORDER 35 1 1 1 1 1 1 CONECT 36 51 48 42 40 37 ORDER 36 1 1 1 1 1 CONECT 37 36 52 40 39 38 3 ORDER 37 1 1 1 1 1 1 CONECT 38 52 40 1 37 3 2 ORDER 38 1 1 1 1 1 1 CONECT 39 53 16 40 18 37 3 ORDER 39 1 1 1 1 1 1 CONECT 40 36 52 39 37 38 ORDER 40 1 1 1 1 1 CONECT 41 50 48 46 52 35 ORDER 41 1 1 1 1 1 CONECT 42 55 51 48 53 36 44 ORDER 42 1 1 1 1 1 1 CONECT 43 49 61 47 55 9 ORDER 43 1 1 1 1 1 CONECT 44 42 54 58 16 1 14 ORDER 44 1 1 1 1 1 1 CONECT 45 49 50 47 55 51 ORDER 45 1 1 1 1 1 CONECT 46 59 62 41 52 35 ORDER 46 1 1 1 1 1 CONECT 47 49 45 43 50 61 58 ORDER 47 1 1 1 1 1 1 CONECT 48 50 51 42 41 36 52 ORDER 48 1 1 1 1 1 1 CONECT 49 45 43 57 50 61 47 ORDER 49 1 1 1 1 1 1 CONECT 50 49 45 47 48 59 41 ORDER 50 1 1 1 1 1 1 CONECT 51 45 55 48 42 53 36 ORDER 51 1 1 1 1 1 1 CONECT 52 48 46 41 40 37 38 ORDER 52 1 1 1 1 1 1 CONECT 53 51 42 16 18 39 ORDER 53 1 1 1 1 1 CONECT 54 55 9 8 27 20 44 ORDER 54 1 1 1 1 1 1 CONECT 55 45 43 51 9 42 54 ORDER 55 1 1 1 1 1 1 CONECT 56 64 58 31 63 1 34 ORDER 56 1 1 1 1 1 1 CONECT 57 49 61 59 58 ORDER 57 1 1 1 1 CONECT 58 57 47 60 44 56 6 ORDER 58 1 1 1 1 1 1 CONECT 59 57 50 60 46 62 64 ORDER 59 1 1 1 1 1 1 CONECT 60 59 4 64 5 58 31 ORDER 60 1 1 1 1 1 1 CONECT 61 49 43 57 47 8 7 ORDER 61 1 1 1 1 1 1 CONECT 62 59 46 64 35 63 ORDER 62 1 1 1 1 1 CONECT 63 62 64 56 35 34 32 ORDER 63 1 1 1 1 1 1 CONECT 64 59 60 62 56 63 ORDER 64 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2928003.70 END BIOGRF 200 DESCRP S_6887 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -0.70771 -0.00410 -5.46654 0 1 0 0.00000 HETATM 2 Ag -0.80985 -0.02015 -2.73856 0 1 0 0.00000 HETATM 3 Ag 0.19953 -2.32182 -3.98088 0 1 0 0.00000 HETATM 4 Ag 1.16649 -4.55604 -2.33346 0 1 0 0.00000 HETATM 5 Ag -1.70497 -3.94848 -2.53048 0 1 0 0.00000 HETATM 6 Ag -2.62793 -1.64099 -4.12032 0 1 0 0.00000 HETATM 7 Ag -4.49178 -3.20825 -2.63072 0 1 0 0.00000 HETATM 8 Ag -5.28147 -1.85529 -0.22994 0 1 0 0.00000 HETATM 9 Ag -0.17125 2.41828 -3.96517 0 1 0 0.00000 HETATM 10 Ag -2.85976 1.30166 -4.11282 0 1 0 0.00000 HETATM 11 Ag -2.93070 1.26095 -1.30732 0 1 0 0.00000 HETATM 12 Ag -4.79205 -0.33668 -2.67092 0 1 0 0.00000 HETATM 13 Ag -1.92416 2.22012 1.20478 0 1 0 0.00000 HETATM 14 Ag -5.51389 1.06985 -0.22336 0 1 0 0.00000 HETATM 15 Ag -2.30803 3.71362 -2.50819 0 1 0 0.00000 HETATM 16 Ag -4.94739 2.54563 -2.61719 0 1 0 0.00000 HETATM 17 Ag -3.99208 3.57055 -0.12002 0 1 0 0.00000 HETATM 18 Ag -2.93083 4.46001 2.39183 0 1 0 0.00000 HETATM 19 Ag -2.70233 -1.62725 -1.31462 0 1 0 0.00000 HETATM 20 Ag -3.37807 -4.08116 -0.13774 0 1 0 0.00000 HETATM 21 Ag -0.53814 -4.76127 0.01573 0 1 0 0.00000 HETATM 22 Ag -1.54610 -2.42635 1.19294 0 1 0 0.00000 HETATM 23 Ag -1.73043 -2.48429 3.99684 0 1 0 0.00000 HETATM 24 Ag -2.18266 -4.80413 2.36868 0 1 0 0.00000 HETATM 25 Ag -0.90809 -0.03465 0.00965 0 1 0 0.00000 HETATM 26 Ag -5.91732 -0.44178 2.18275 0 1 0 0.00000 HETATM 27 Ag -4.48963 2.04724 2.32710 0 1 0 0.00000 HETATM 28 Ag -3.63195 -0.26359 3.90183 0 1 0 0.00000 HETATM 29 Ag -3.41924 -0.23842 1.10165 0 1 0 0.00000 HETATM 30 Ag -1.08242 -0.05705 2.75639 0 1 0 0.00000 HETATM 31 Ag -1.24243 -0.07688 5.48106 0 1 0 0.00000 HETATM 32 Ag -2.11191 2.23048 4.00802 0 1 0 0.00000 HETATM 33 Ag -4.10755 -2.67133 2.31507 0 1 0 0.00000 HETATM 34 Ag 0.43452 4.76556 -2.30489 0 1 0 0.00000 HETATM 35 Ag 2.28262 2.59338 -2.40128 0 1 0 0.00000 HETATM 36 Ag -0.13785 3.86205 2.62180 0 1 0 0.00000 HETATM 37 Ag -0.25524 2.36894 -1.15612 0 1 0 0.00000 HETATM 38 Ag 1.54392 0.15282 -1.18155 0 1 0 0.00000 HETATM 39 Ag 3.33384 1.74291 0.18885 0 1 0 0.00000 HETATM 40 Ag -1.29313 4.68692 0.04020 0 1 0 0.00000 HETATM 41 Ag 1.54617 4.04246 0.24752 0 1 0 0.00000 HETATM 42 Ag 4.37254 4.24522 0.75959 0 1 0 0.00000 HETATM 43 Ag 5.22881 1.90337 2.16723 0 1 0 0.00000 HETATM 44 Ag 0.84969 1.54993 1.38646 0 1 0 0.00000 HETATM 45 Ag 0.96361 -1.35738 4.16516 0 1 0 0.00000 HETATM 46 Ag 0.72460 1.55394 4.18287 0 1 0 0.00000 HETATM 47 Ag 2.70276 3.12997 2.73183 0 1 0 0.00000 HETATM 48 Ag 5.05054 2.92368 -1.60852 0 1 0 0.00000 HETATM 49 Ag 3.24168 5.06360 -1.66645 0 1 0 0.00000 HETATM 50 Ag 0.10697 -2.30435 -1.17133 0 1 0 0.00000 HETATM 51 Ag 5.00709 -3.44764 0.73077 0 1 0 0.00000 HETATM 52 Ag 2.16425 -3.66205 0.21712 0 1 0 0.00000 HETATM 53 Ag 3.98033 -4.42281 -1.70292 0 1 0 0.00000 HETATM 54 Ag 2.64664 -2.11913 -2.41936 0 1 0 0.00000 HETATM 55 Ag 1.70274 0.18274 -3.98491 0 1 0 0.00000 HETATM 56 Ag 4.08559 0.37492 -2.35830 0 1 0 0.00000 HETATM 57 Ag 5.43603 -2.02307 -1.71578 0 1 0 0.00000 HETATM 58 Ag 3.61458 -1.12583 0.17652 0 1 0 0.00000 HETATM 59 Ag 3.16473 -2.59217 2.70865 0 1 0 0.00000 HETATM 60 Ag 5.88997 0.51921 -0.20722 0 1 0 0.00000 HETATM 61 Ag 7.21914 -1.84548 0.34811 0 1 0 0.00000 HETATM 62 Ag 2.96936 0.27979 2.76705 0 1 0 0.00000 HETATM 63 Ag 0.48119 -3.76160 2.59353 0 1 0 0.00000 HETATM 64 Ag 1.09935 -1.31310 1.36398 0 1 0 0.00000 HETATM 65 Ag 5.45904 -0.94522 2.23532 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 6 10 55 3 9 2 ORDER 1 1 1 1 1 1 1 CONECT 2 1 6 10 3 9 ORDER 2 1 1 1 1 1 CONECT 3 1 6 2 5 50 ORDER 3 1 1 1 1 1 CONECT 4 54 53 50 21 52 ORDER 4 1 1 1 1 1 CONECT 5 3 7 19 50 20 21 ORDER 5 1 1 1 1 1 1 CONECT 6 1 3 2 12 7 19 ORDER 6 1 1 1 1 1 1 CONECT 7 6 12 5 19 8 20 ORDER 7 1 1 1 1 1 1 CONECT 8 7 29 26 33 ORDER 8 1 1 1 1 CONECT 9 1 10 2 15 37 ORDER 9 1 1 1 1 1 CONECT 10 1 9 2 16 11 ORDER 10 1 1 1 1 1 CONECT 11 10 12 16 15 17 25 ORDER 11 1 1 1 1 1 1 CONECT 12 6 7 16 19 11 14 ORDER 12 1 1 1 1 1 1 CONECT 13 17 40 27 18 32 ORDER 13 1 1 1 1 1 CONECT 14 12 16 29 26 27 ORDER 14 1 1 1 1 1 CONECT 15 9 16 11 37 40 ORDER 15 1 1 1 1 1 CONECT 16 10 12 15 11 14 17 ORDER 16 1 1 1 1 1 1 CONECT 17 16 11 13 18 ORDER 17 1 1 1 1 CONECT 18 17 40 13 27 36 32 ORDER 18 1 1 1 1 1 1 CONECT 19 6 12 7 5 20 25 ORDER 19 1 1 1 1 1 1 CONECT 20 7 5 19 22 24 ORDER 20 1 1 1 1 1 CONECT 21 5 4 50 22 24 ORDER 21 1 1 1 1 1 CONECT 22 20 25 21 33 24 63 ORDER 22 1 1 1 1 1 1 CONECT 23 33 24 63 30 31 ORDER 23 1 1 1 1 1 CONECT 24 20 21 22 33 63 23 ORDER 24 1 1 1 1 1 1 CONECT 25 19 11 38 22 64 44 ORDER 25 1 1 1 1 1 1 CONECT 26 8 14 29 33 27 28 ORDER 26 1 1 1 1 1 1 CONECT 27 14 29 13 26 18 32 ORDER 27 1 1 1 1 1 1 CONECT 28 29 26 30 31 ORDER 28 1 1 1 1 CONECT 29 8 14 26 33 27 28 ORDER 29 1 1 1 1 1 1 CONECT 30 28 23 32 45 46 31 ORDER 30 1 1 1 1 1 1 CONECT 31 30 28 23 32 45 46 ORDER 31 1 1 1 1 1 1 CONECT 32 13 27 18 36 30 31 ORDER 32 1 1 1 1 1 1 CONECT 33 8 29 22 26 24 23 ORDER 33 1 1 1 1 1 1 CONECT 34 35 49 37 40 41 ORDER 34 1 1 1 1 1 CONECT 35 56 34 49 48 37 ORDER 35 1 1 1 1 1 CONECT 36 44 18 32 46 ORDER 36 1 1 1 1 CONECT 37 9 15 35 34 40 41 ORDER 37 1 1 1 1 1 1 CONECT 38 55 54 56 25 58 39 ORDER 38 1 1 1 1 1 1 CONECT 39 48 38 60 42 44 43 ORDER 39 1 1 1 1 1 1 CONECT 40 15 34 37 13 18 ORDER 40 1 1 1 1 1 CONECT 41 34 49 37 42 44 47 ORDER 41 1 1 1 1 1 1 CONECT 42 49 48 39 41 43 47 ORDER 42 1 1 1 1 1 1 CONECT 43 60 39 42 65 47 62 ORDER 43 1 1 1 1 1 1 CONECT 44 25 39 41 36 47 46 ORDER 44 1 1 1 1 1 1 CONECT 45 64 63 59 30 46 31 ORDER 45 1 1 1 1 1 1 CONECT 46 44 36 47 30 45 31 ORDER 46 1 1 1 1 1 1 CONECT 47 41 42 44 43 62 46 ORDER 47 1 1 1 1 1 1 CONECT 48 35 56 49 39 42 ORDER 48 1 1 1 1 1 CONECT 49 35 34 48 41 42 ORDER 49 1 1 1 1 1 CONECT 50 3 5 54 4 21 52 ORDER 50 1 1 1 1 1 1 CONECT 51 57 53 58 52 61 59 ORDER 51 1 1 1 1 1 1 CONECT 52 4 53 50 51 64 59 ORDER 52 1 1 1 1 1 1 CONECT 53 54 4 57 52 51 ORDER 53 1 1 1 1 1 CONECT 54 56 4 57 53 38 50 ORDER 54 1 1 1 1 1 1 CONECT 55 1 38 ORDER 55 1 1 CONECT 56 54 35 57 48 38 60 ORDER 56 1 1 1 1 1 1 CONECT 57 54 56 53 58 61 51 ORDER 57 1 1 1 1 1 1 CONECT 58 57 38 60 51 64 65 ORDER 58 1 1 1 1 1 1 CONECT 59 52 51 64 65 62 45 ORDER 59 1 1 1 1 1 1 CONECT 60 56 58 39 61 43 65 ORDER 60 1 1 1 1 1 1 CONECT 61 57 60 51 65 ORDER 61 1 1 1 1 CONECT 62 43 65 59 47 ORDER 62 1 1 1 1 CONECT 63 22 64 24 23 45 ORDER 63 1 1 1 1 1 CONECT 64 25 58 52 63 59 45 ORDER 64 1 1 1 1 1 1 CONECT 65 60 58 61 43 59 62 ORDER 65 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -2973753.89 END BIOGRF 200 DESCRP S_7088 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -2.17194 4.18923 1.85909 0 1 0 0.00000 HETATM 2 Ag 0.63794 4.61661 1.10275 0 1 0 0.00000 HETATM 3 Ag -5.16875 2.69072 -1.74578 0 1 0 0.00000 HETATM 4 Ag 2.15003 2.45031 0.15292 0 1 0 0.00000 HETATM 5 Ag 1.41434 4.38234 -1.74350 0 1 0 0.00000 HETATM 6 Ag -3.31575 4.49502 -2.81916 0 1 0 0.00000 HETATM 7 Ag -3.21032 2.08526 0.07669 0 1 0 0.00000 HETATM 8 Ag -4.08317 4.69732 -0.13288 0 1 0 0.00000 HETATM 9 Ag -1.36839 4.07795 -0.92430 0 1 0 0.00000 HETATM 10 Ag 2.75768 3.44953 2.70757 0 1 0 0.00000 HETATM 11 Ag 6.19133 0.03603 1.48998 0 1 0 0.00000 HETATM 12 Ag 3.37535 4.88207 0.28978 0 1 0 0.00000 HETATM 13 Ag 4.38559 -1.85424 2.68169 0 1 0 0.00000 HETATM 14 Ag 4.85243 2.50279 0.90222 0 1 0 0.00000 HETATM 15 Ag 3.56364 0.01783 0.75750 0 1 0 0.00000 HETATM 16 Ag 4.18985 0.98401 3.31818 0 1 0 0.00000 HETATM 17 Ag 1.50101 0.95103 2.52953 0 1 0 0.00000 HETATM 18 Ag -0.58178 2.09718 0.94350 0 1 0 0.00000 HETATM 19 Ag 2.06281 1.89674 5.02567 0 1 0 0.00000 HETATM 20 Ag -0.03995 3.09113 3.49988 0 1 0 0.00000 HETATM 21 Ag 2.27653 -0.90440 4.48235 0 1 0 0.00000 HETATM 22 Ag -0.34960 0.39000 4.56187 0 1 0 0.00000 HETATM 23 Ag 1.69395 -1.84216 1.90540 0 1 0 0.00000 HETATM 24 Ag -4.79085 3.02214 2.10491 0 1 0 0.00000 HETATM 25 Ag -0.15102 -2.44096 3.93459 0 1 0 0.00000 HETATM 26 Ag -0.88685 -0.57012 1.98697 0 1 0 0.00000 HETATM 27 Ag -5.81745 0.95587 0.50062 0 1 0 0.00000 HETATM 28 Ag -2.79170 -1.12254 3.93579 0 1 0 0.00000 HETATM 29 Ag -5.10166 0.38130 3.17106 0 1 0 0.00000 HETATM 30 Ag -2.51352 1.56111 2.95342 0 1 0 0.00000 HETATM 31 Ag -3.52284 -0.54383 1.14692 0 1 0 0.00000 HETATM 32 Ag -4.88836 -2.45816 2.55514 0 1 0 0.00000 HETATM 33 Ag 2.45025 -3.67354 3.78008 0 1 0 0.00000 HETATM 34 Ag -0.25973 -2.47829 -0.08646 0 1 0 0.00000 HETATM 35 Ag -0.64932 3.74710 -3.69766 0 1 0 0.00000 HETATM 36 Ag -0.39055 0.87919 -4.41767 0 1 0 0.00000 HETATM 37 Ag -2.34137 -1.10887 -3.37938 0 1 0 0.00000 HETATM 38 Ag -0.15138 -1.95654 -4.98929 0 1 0 0.00000 HETATM 39 Ag -0.89527 -3.53543 -2.65416 0 1 0 0.00000 HETATM 40 Ag -1.65987 -0.00431 -0.84738 0 1 0 0.00000 HETATM 41 Ag 0.37178 -1.00088 -2.49499 0 1 0 0.00000 HETATM 42 Ag -4.36612 -0.01452 -1.67556 0 1 0 0.00000 HETATM 43 Ag -2.54653 1.85812 -2.76366 0 1 0 0.00000 HETATM 44 Ag -3.42795 -4.80829 -2.18219 0 1 0 0.00000 HETATM 45 Ag -4.29473 -4.36661 0.50189 0 1 0 0.00000 HETATM 46 Ag -2.18511 -3.09643 1.93027 0 1 0 0.00000 HETATM 47 Ag -5.62926 -1.94875 -0.10371 0 1 0 0.00000 HETATM 48 Ag -4.82770 -2.52352 -2.79793 0 1 0 0.00000 HETATM 49 Ag -2.90924 -2.45500 -0.85761 0 1 0 0.00000 HETATM 50 Ag 1.26382 -4.62931 -0.98978 0 1 0 0.00000 HETATM 51 Ag -1.53237 -4.94710 -0.16827 0 1 0 0.00000 HETATM 52 Ag 3.26646 -3.99513 1.03933 0 1 0 0.00000 HETATM 53 Ag 5.17413 -2.10281 -0.12490 0 1 0 0.00000 HETATM 54 Ag 0.92323 -0.00021 0.01365 0 1 0 0.00000 HETATM 55 Ag 0.48123 -4.37336 1.83100 0 1 0 0.00000 HETATM 56 Ag 2.73088 0.56939 -1.95257 0 1 0 0.00000 HETATM 57 Ag 1.98811 2.46529 -3.88132 0 1 0 0.00000 HETATM 58 Ag 4.01175 3.06395 -1.84764 0 1 0 0.00000 HETATM 59 Ag 2.47043 -2.09154 -0.86019 0 1 0 0.00000 HETATM 60 Ag 4.54420 1.13668 -3.90449 0 1 0 0.00000 HETATM 61 Ag 5.44659 0.59409 -1.23193 0 1 0 0.00000 HETATM 62 Ag 4.00279 -4.16998 -1.73199 0 1 0 0.00000 HETATM 63 Ag 2.21484 -0.41004 -4.52380 0 1 0 0.00000 HETATM 64 Ag 4.33467 -1.54540 -2.87418 0 1 0 0.00000 HETATM 65 Ag 1.93195 -3.12692 -3.41264 0 1 0 0.00000 HETATM 66 Ag 0.16079 1.88185 -1.85526 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 9 8 18 24 30 20 ORDER 1 1 1 1 1 1 1 CONECT 2 4 12 18 10 20 ORDER 2 1 1 1 1 1 CONECT 3 6 43 42 8 7 27 ORDER 3 1 1 1 1 1 1 CONECT 4 58 5 54 12 14 2 ORDER 4 1 1 1 1 1 1 CONECT 5 35 66 58 4 12 ORDER 5 1 1 1 1 1 CONECT 6 35 43 3 9 8 ORDER 6 1 1 1 1 1 CONECT 7 3 40 8 18 24 ORDER 7 1 1 1 1 1 CONECT 8 6 3 9 7 1 24 ORDER 8 1 1 1 1 1 1 CONECT 9 35 6 66 8 18 1 ORDER 9 1 1 1 1 1 1 CONECT 10 12 14 2 17 16 19 ORDER 10 1 1 1 1 1 1 CONECT 11 61 53 15 14 13 16 ORDER 11 1 1 1 1 1 1 CONECT 12 58 5 4 14 2 10 ORDER 12 1 1 1 1 1 1 CONECT 13 11 23 16 33 ORDER 13 1 1 1 1 CONECT 14 61 4 12 15 11 10 ORDER 14 1 1 1 1 1 1 CONECT 15 61 53 54 14 11 16 ORDER 15 1 1 1 1 1 1 CONECT 16 15 11 17 13 10 19 ORDER 16 1 1 1 1 1 1 CONECT 17 10 16 21 22 19 ORDER 17 1 1 1 1 1 CONECT 18 9 54 7 2 1 20 ORDER 18 1 1 1 1 1 1 CONECT 19 17 10 16 20 21 22 ORDER 19 1 1 1 1 1 1 CONECT 20 18 2 1 30 22 19 ORDER 20 1 1 1 1 1 1 CONECT 21 23 17 33 25 22 19 ORDER 21 1 1 1 1 1 1 CONECT 22 26 17 20 25 21 19 ORDER 22 1 1 1 1 1 1 CONECT 23 52 13 33 25 21 ORDER 23 1 1 1 1 1 CONECT 24 8 7 27 1 30 29 ORDER 24 1 1 1 1 1 1 CONECT 25 55 23 26 33 21 22 ORDER 25 1 1 1 1 1 1 CONECT 26 54 31 46 25 28 22 ORDER 26 1 1 1 1 1 1 CONECT 27 3 42 31 24 29 ORDER 27 1 1 1 1 1 CONECT 28 46 26 32 30 29 ORDER 28 1 1 1 1 1 CONECT 29 27 31 24 32 30 28 ORDER 29 1 1 1 1 1 1 CONECT 30 1 24 29 20 28 ORDER 30 1 1 1 1 1 CONECT 31 40 47 27 26 32 29 ORDER 31 1 1 1 1 1 1 CONECT 32 47 45 31 46 29 28 ORDER 32 1 1 1 1 1 1 CONECT 33 52 55 23 13 25 21 ORDER 33 1 1 1 1 1 1 CONECT 34 39 50 49 51 55 ORDER 34 1 1 1 1 1 CONECT 35 57 6 43 66 5 9 ORDER 35 1 1 1 1 1 1 CONECT 36 38 63 57 43 41 66 ORDER 36 1 1 1 1 1 1 CONECT 37 38 39 42 ORDER 37 1 1 1 CONECT 38 63 36 65 37 39 41 ORDER 38 1 1 1 1 1 1 CONECT 39 38 37 44 34 ORDER 39 1 1 1 1 CONECT 40 41 66 49 54 7 31 ORDER 40 1 1 1 1 1 1 CONECT 41 38 63 36 65 40 ORDER 41 1 1 1 1 1 CONECT 42 37 48 43 3 47 27 ORDER 42 1 1 1 1 1 1 CONECT 43 36 35 6 3 42 ORDER 43 1 1 1 1 1 CONECT 44 48 39 49 51 45 ORDER 44 1 1 1 1 1 CONECT 45 44 49 51 47 46 32 ORDER 45 1 1 1 1 1 1 CONECT 46 51 45 26 32 28 ORDER 46 1 1 1 1 1 CONECT 47 48 42 49 45 31 32 ORDER 47 1 1 1 1 1 1 CONECT 48 44 42 49 47 ORDER 48 1 1 1 1 CONECT 49 48 44 40 47 34 45 ORDER 49 1 1 1 1 1 1 CONECT 50 65 62 59 51 34 52 ORDER 50 1 1 1 1 1 1 CONECT 51 44 50 34 45 55 46 ORDER 51 1 1 1 1 1 1 CONECT 52 62 50 59 55 23 33 ORDER 52 1 1 1 1 1 1 CONECT 53 62 59 15 11 ORDER 53 1 1 1 1 CONECT 54 56 40 4 15 18 26 ORDER 54 1 1 1 1 1 1 CONECT 55 51 34 52 33 25 ORDER 55 1 1 1 1 1 CONECT 56 63 60 57 64 58 54 ORDER 56 1 1 1 1 1 1 CONECT 57 36 60 35 56 66 ORDER 57 1 1 1 1 1 CONECT 58 60 56 5 61 4 12 ORDER 58 1 1 1 1 1 1 CONECT 59 65 64 62 50 53 52 ORDER 59 1 1 1 1 1 1 CONECT 60 63 57 64 56 58 61 ORDER 60 1 1 1 1 1 1 CONECT 61 60 64 58 15 14 11 ORDER 61 1 1 1 1 1 1 CONECT 62 65 64 50 59 53 52 ORDER 62 1 1 1 1 1 1 CONECT 63 38 36 60 64 41 56 ORDER 63 1 1 1 1 1 1 CONECT 64 63 60 56 62 61 59 ORDER 64 1 1 1 1 1 1 CONECT 65 38 41 62 50 59 ORDER 65 1 1 1 1 1 CONECT 66 36 57 35 5 9 40 ORDER 66 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3019500.94 END BIOGRF 200 DESCRP S_7292 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -1.37737 0.87242 1.21635 0 1 0 0.00000 HETATM 2 Ag -3.76563 1.77233 2.39396 0 1 0 0.00000 HETATM 3 Ag -5.62195 -0.34860 1.90412 0 1 0 0.00000 HETATM 4 Ag -4.15873 4.39074 1.38508 0 1 0 0.00000 HETATM 5 Ag -2.81268 -2.69199 0.29793 0 1 0 0.00000 HETATM 6 Ag -4.73870 -3.05653 2.21957 0 1 0 0.00000 HETATM 7 Ag -1.37748 -0.87232 -1.21639 0 1 0 0.00000 HETATM 8 Ag -2.81239 2.69232 -0.29785 0 1 0 0.00000 HETATM 9 Ag -5.56160 -2.10762 -0.29382 0 1 0 0.00000 HETATM 10 Ag -3.70364 0.00018 -0.00002 0 1 0 0.00000 HETATM 11 Ag -5.56132 2.10830 0.29378 0 1 0 0.00000 HETATM 12 Ag -2.01353 3.61762 -2.99872 0 1 0 0.00000 HETATM 13 Ag -1.90897 6.05581 1.16071 0 1 0 0.00000 HETATM 14 Ag -5.62192 0.34933 -1.90416 0 1 0 0.00000 HETATM 15 Ag -3.30378 5.28158 -1.13102 0 1 0 0.00000 HETATM 16 Ag -4.73829 3.05706 -2.21955 0 1 0 0.00000 HETATM 17 Ag -0.56149 4.49869 -0.67022 0 1 0 0.00000 HETATM 18 Ag -2.94092 0.94039 -2.72501 0 1 0 0.00000 HETATM 19 Ag 0.93607 3.66570 -3.03868 0 1 0 0.00000 HETATM 20 Ag -0.50100 1.80520 -1.52468 0 1 0 0.00000 HETATM 21 Ag -0.49675 1.47520 -4.30051 0 1 0 0.00000 HETATM 22 Ag -3.76584 -1.77190 -2.39393 0 1 0 0.00000 HETATM 23 Ag 2.35937 4.46593 -0.59825 0 1 0 0.00000 HETATM 24 Ag 0.86814 2.60567 0.88370 0 1 0 0.00000 HETATM 25 Ag 0.79371 5.20503 1.75677 0 1 0 0.00000 HETATM 26 Ag 3.24112 3.57407 2.01877 0 1 0 0.00000 HETATM 27 Ag 0.93424 2.99716 3.67063 0 1 0 0.00000 HETATM 28 Ag 3.31673 1.31226 3.89218 0 1 0 0.00000 HETATM 29 Ag -0.49693 -1.47530 4.30052 0 1 0 0.00000 HETATM 30 Ag 0.95600 0.36141 2.73656 0 1 0 0.00000 HETATM 31 Ag -2.94103 -0.94007 2.72506 0 1 0 0.00000 HETATM 32 Ag -1.49646 3.53122 2.15691 0 1 0 0.00000 HETATM 33 Ag -1.40129 1.25427 3.99256 0 1 0 0.00000 HETATM 34 Ag 0.98775 0.71690 5.44372 0 1 0 0.00000 HETATM 35 Ag -2.01396 -3.61738 2.99861 0 1 0 0.00000 HETATM 36 Ag -3.30443 -5.28120 1.13105 0 1 0 0.00000 HETATM 37 Ag -1.49688 -3.53111 -2.15679 0 1 0 0.00000 HETATM 38 Ag -4.15929 -4.39028 -1.38503 0 1 0 0.00000 HETATM 39 Ag -1.40141 -1.25419 -3.99254 0 1 0 0.00000 HETATM 40 Ag 2.35542 -1.80713 1.47460 0 1 0 0.00000 HETATM 41 Ag 3.79915 -3.60023 2.93702 0 1 0 0.00000 HETATM 42 Ag 4.74754 -0.89529 2.61687 0 1 0 0.00000 HETATM 43 Ag 2.35891 -4.46619 0.59824 0 1 0 0.00000 HETATM 44 Ag 3.23244 0.92601 1.10871 0 1 0 0.00000 HETATM 45 Ag 5.55408 1.84198 2.20674 0 1 0 0.00000 HETATM 46 Ag 0.93562 -3.66589 3.03862 0 1 0 0.00000 HETATM 47 Ag 2.42143 -1.46720 4.26552 0 1 0 0.00000 HETATM 48 Ag 0.90541 -0.00005 0.00002 0 1 0 0.00000 HETATM 49 Ag 0.86776 -2.60577 -0.88377 0 1 0 0.00000 HETATM 50 Ag 5.63708 -0.00022 0.00006 0 1 0 0.00000 HETATM 51 Ag 4.74120 2.77203 -0.36739 0 1 0 0.00000 HETATM 52 Ag 3.23231 -0.92625 -1.10875 0 1 0 0.00000 HETATM 53 Ag 4.74090 -2.77241 0.36733 0 1 0 0.00000 HETATM 54 Ag 0.93385 -2.99740 -3.67065 0 1 0 0.00000 HETATM 55 Ag 5.55392 -1.84253 -2.20678 0 1 0 0.00000 HETATM 56 Ag 0.79314 -5.20524 -1.75674 0 1 0 0.00000 HETATM 57 Ag 3.24077 -3.57432 -2.01878 0 1 0 0.00000 HETATM 58 Ag 3.31657 -1.31258 -3.89212 0 1 0 0.00000 HETATM 59 Ag 0.95597 -0.36162 -2.73661 0 1 0 0.00000 HETATM 60 Ag 2.35557 1.80685 -1.47459 0 1 0 0.00000 HETATM 61 Ag 0.98764 -0.71716 -5.44368 0 1 0 0.00000 HETATM 62 Ag 2.42158 1.46693 -4.26549 0 1 0 0.00000 HETATM 63 Ag 3.79947 3.59986 -2.93712 0 1 0 0.00000 HETATM 64 Ag 4.74776 0.89502 -2.61673 0 1 0 0.00000 HETATM 65 Ag -0.50124 -1.80523 1.52458 0 1 0 0.00000 HETATM 66 Ag -0.56199 -4.49869 0.67017 0 1 0 0.00000 HETATM 67 Ag -1.90975 -6.05560 -1.16066 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 8 10 48 32 2 33 ORDER 1 1 1 1 1 1 1 CONECT 2 11 1 4 3 32 31 ORDER 2 1 1 1 1 1 1 CONECT 3 9 10 11 6 2 31 ORDER 3 1 1 1 1 1 1 CONECT 4 15 8 11 13 32 2 ORDER 4 1 1 1 1 1 1 CONECT 5 38 7 36 65 6 ORDER 5 1 1 1 1 1 CONECT 6 9 5 36 3 31 35 ORDER 6 1 1 1 1 1 1 CONECT 7 39 22 37 10 48 5 ORDER 7 1 1 1 1 1 1 CONECT 8 16 20 15 1 4 ORDER 8 1 1 1 1 1 CONECT 9 22 14 38 10 3 6 ORDER 9 1 1 1 1 1 1 CONECT 10 14 7 9 11 1 3 ORDER 10 1 1 1 1 1 1 CONECT 11 16 14 10 4 3 2 ORDER 11 1 1 1 1 1 1 CONECT 12 18 16 20 15 17 ORDER 12 1 1 1 1 1 CONECT 13 15 17 4 25 32 ORDER 13 1 1 1 1 1 CONECT 14 18 22 16 9 10 11 ORDER 14 1 1 1 1 1 1 CONECT 15 12 16 17 8 13 4 ORDER 15 1 1 1 1 1 1 CONECT 16 12 18 14 15 8 11 ORDER 16 1 1 1 1 1 1 CONECT 17 12 20 15 24 13 25 ORDER 17 1 1 1 1 1 1 CONECT 18 12 22 16 14 ORDER 18 1 1 1 1 CONECT 19 21 63 20 ORDER 19 1 1 1 CONECT 20 21 19 12 17 8 ORDER 20 1 1 1 1 1 CONECT 21 61 62 39 19 59 20 ORDER 21 1 1 1 1 1 1 CONECT 22 18 37 14 38 7 9 ORDER 22 1 1 1 1 1 1 CONECT 23 63 60 24 25 26 ORDER 23 1 1 1 1 1 CONECT 24 17 23 25 26 27 ORDER 24 1 1 1 1 1 CONECT 25 17 23 24 13 32 27 ORDER 25 1 1 1 1 1 1 CONECT 26 23 51 24 44 45 27 ORDER 26 1 1 1 1 1 1 CONECT 27 24 25 26 32 30 34 ORDER 27 1 1 1 1 1 1 CONECT 28 45 30 34 ORDER 28 1 1 1 CONECT 29 65 30 46 33 47 34 ORDER 29 1 1 1 1 1 1 CONECT 30 27 28 47 29 34 ORDER 30 1 1 1 1 1 CONECT 31 65 3 6 2 35 33 ORDER 31 1 1 1 1 1 1 CONECT 32 13 1 4 25 2 27 ORDER 32 1 1 1 1 1 1 CONECT 33 1 31 29 34 ORDER 33 1 1 1 1 CONECT 34 30 27 28 33 47 29 ORDER 34 1 1 1 1 1 1 CONECT 35 66 36 65 6 31 46 ORDER 35 1 1 1 1 1 1 CONECT 36 38 67 5 66 6 35 ORDER 36 1 1 1 1 1 1 CONECT 37 22 56 38 7 67 49 ORDER 37 1 1 1 1 1 1 CONECT 38 22 37 67 9 5 36 ORDER 38 1 1 1 1 1 1 CONECT 39 61 21 59 7 ORDER 39 1 1 1 1 CONECT 40 48 53 43 42 41 47 ORDER 40 1 1 1 1 1 1 CONECT 41 53 43 40 42 46 47 ORDER 41 1 1 1 1 1 1 CONECT 42 50 44 40 45 41 47 ORDER 42 1 1 1 1 1 1 CONECT 43 57 56 49 40 41 ORDER 43 1 1 1 1 1 CONECT 44 51 48 50 26 45 42 ORDER 44 1 1 1 1 1 1 CONECT 45 51 50 44 26 42 28 ORDER 45 1 1 1 1 1 1 CONECT 46 65 41 35 29 ORDER 46 1 1 1 1 CONECT 47 40 42 30 41 29 34 ORDER 47 1 1 1 1 1 1 CONECT 48 60 7 52 44 1 40 ORDER 48 1 1 1 1 1 1 CONECT 49 54 37 57 56 43 66 ORDER 49 1 1 1 1 1 1 CONECT 50 64 55 52 44 45 42 ORDER 50 1 1 1 1 1 1 CONECT 51 63 60 44 26 45 ORDER 51 1 1 1 1 1 CONECT 52 64 55 57 48 50 53 ORDER 52 1 1 1 1 1 1 CONECT 53 55 57 52 40 41 ORDER 53 1 1 1 1 1 CONECT 54 61 58 59 57 56 49 ORDER 54 1 1 1 1 1 1 CONECT 55 58 64 57 52 50 53 ORDER 55 1 1 1 1 1 1 CONECT 56 54 37 67 49 43 66 ORDER 56 1 1 1 1 1 1 CONECT 57 54 55 52 49 53 43 ORDER 57 1 1 1 1 1 1 CONECT 58 61 54 59 55 ORDER 58 1 1 1 1 CONECT 59 61 21 62 39 58 54 ORDER 59 1 1 1 1 1 1 CONECT 60 62 63 64 23 51 48 ORDER 60 1 1 1 1 1 1 CONECT 61 21 62 39 58 54 59 ORDER 61 1 1 1 1 1 1 CONECT 62 61 21 63 59 64 60 ORDER 62 1 1 1 1 1 1 CONECT 63 62 19 64 60 23 51 ORDER 63 1 1 1 1 1 1 CONECT 64 62 63 55 60 52 50 ORDER 64 1 1 1 1 1 1 CONECT 65 5 66 31 35 46 29 ORDER 65 1 1 1 1 1 1 CONECT 66 56 67 49 36 65 35 ORDER 66 1 1 1 1 1 1 CONECT 67 37 56 38 66 36 ORDER 67 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3065252.69 END BIOGRF 200 DESCRP S_7523 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -5.65952 -1.82344 2.22422 0 1 0 0.00000 HETATM 2 Ag -3.33788 -0.91571 1.11687 0 1 0 0.00000 HETATM 3 Ag -4.85010 2.77374 0.34186 0 1 0 0.00000 HETATM 4 Ag -2.46825 4.46725 0.55805 0 1 0 0.00000 HETATM 5 Ag -0.97201 2.59338 -0.90706 0 1 0 0.00000 HETATM 6 Ag -0.90307 5.18719 -1.80341 0 1 0 0.00000 HETATM 7 Ag 1.79236 6.05138 -1.21753 0 1 0 0.00000 HETATM 8 Ag -3.34598 3.55506 -2.05041 0 1 0 0.00000 HETATM 9 Ag 4.04342 4.38526 -1.40950 0 1 0 0.00000 HETATM 10 Ag 1.39160 3.50599 -2.17004 0 1 0 0.00000 HETATM 11 Ag 2.71299 2.68766 0.29302 0 1 0 0.00000 HETATM 12 Ag -1.00867 0.00004 -0.00003 0 1 0 0.00000 HETATM 13 Ag -0.97195 -2.59348 0.90702 0 1 0 0.00000 HETATM 14 Ag -1.05420 -0.33932 2.73570 0 1 0 0.00000 HETATM 15 Ag 4.61122 3.11297 2.22669 0 1 0 0.00000 HETATM 16 Ag -2.46552 1.81743 1.45865 0 1 0 0.00000 HETATM 17 Ag 1.29314 -0.84826 1.20406 0 1 0 0.00000 HETATM 18 Ag -3.41811 -1.27949 3.90149 0 1 0 0.00000 HETATM 19 Ag 1.39174 -3.50590 2.17002 0 1 0 0.00000 HETATM 20 Ag -1.03606 -2.96728 3.69586 0 1 0 0.00000 HETATM 21 Ag -2.53095 1.49889 4.25020 0 1 0 0.00000 HETATM 22 Ag 0.38614 1.82489 1.51251 0 1 0 0.00000 HETATM 23 Ag -3.91273 3.62229 2.90488 0 1 0 0.00000 HETATM 24 Ag -4.85790 0.91592 2.60910 0 1 0 0.00000 HETATM 25 Ag 0.45067 4.50463 0.62914 0 1 0 0.00000 HETATM 26 Ag 1.88711 3.65665 2.97708 0 1 0 0.00000 HETATM 27 Ag 3.17692 5.30145 1.08919 0 1 0 0.00000 HETATM 28 Ag -1.05362 3.69602 3.00902 0 1 0 0.00000 HETATM 29 Ag 0.37986 1.51694 4.29392 0 1 0 0.00000 HETATM 30 Ag 5.49192 0.40552 2.04217 0 1 0 0.00000 HETATM 31 Ag 1.29889 -1.22040 3.98979 0 1 0 0.00000 HETATM 32 Ag 2.80966 0.97419 2.73078 0 1 0 0.00000 HETATM 33 Ag 3.66545 -1.75556 2.39077 0 1 0 0.00000 HETATM 34 Ag -1.08924 -0.67365 5.44649 0 1 0 0.00000 HETATM 35 Ag -3.33792 0.91560 -1.11690 0 1 0 0.00000 HETATM 36 Ag -5.74375 -0.00005 -0.00000 0 1 0 0.00000 HETATM 37 Ag -5.65955 1.82340 -2.22420 0 1 0 0.00000 HETATM 38 Ag -1.05426 0.33932 -2.73568 0 1 0 0.00000 HETATM 39 Ag -3.91262 -3.62244 -2.90483 0 1 0 0.00000 HETATM 40 Ag -2.46547 -1.81749 -1.45867 0 1 0 0.00000 HETATM 41 Ag -2.46808 -4.46730 -0.55802 0 1 0 0.00000 HETATM 42 Ag -1.05356 -3.69604 -3.00900 0 1 0 0.00000 HETATM 43 Ag -4.85790 -0.91597 -2.60899 0 1 0 0.00000 HETATM 44 Ag -4.85010 -2.77387 -0.34183 0 1 0 0.00000 HETATM 45 Ag -3.34589 -3.55524 2.05043 0 1 0 0.00000 HETATM 46 Ag -1.08933 0.67365 -5.44642 0 1 0 0.00000 HETATM 47 Ag -2.53095 -1.49890 -4.25021 0 1 0 0.00000 HETATM 48 Ag 1.29880 1.22043 -3.98980 0 1 0 0.00000 HETATM 49 Ag -1.03623 2.96720 -3.69580 0 1 0 0.00000 HETATM 50 Ag -3.41824 1.27939 -3.90138 0 1 0 0.00000 HETATM 51 Ag 0.37991 -1.51690 -4.29392 0 1 0 0.00000 HETATM 52 Ag 3.66536 1.75559 -2.39081 0 1 0 0.00000 HETATM 53 Ag 2.80957 -0.97413 -2.73078 0 1 0 0.00000 HETATM 54 Ag 0.38616 -1.82486 -1.51250 0 1 0 0.00000 HETATM 55 Ag 1.29307 0.84826 -1.20415 0 1 0 0.00000 HETATM 56 Ag 1.88713 -3.65662 -2.97705 0 1 0 0.00000 HETATM 57 Ag 1.79251 -6.05132 1.21757 0 1 0 0.00000 HETATM 58 Ag 3.67769 0.00010 -0.00001 0 1 0 0.00000 HETATM 59 Ag 3.17713 -5.30138 -1.08923 0 1 0 0.00000 HETATM 60 Ag 7.23834 0.00010 -0.00002 0 1 0 0.00000 HETATM 61 Ag 4.61125 -3.11292 -2.22677 0 1 0 0.00000 HETATM 62 Ag 5.49186 -0.40539 -2.04218 0 1 0 0.00000 HETATM 63 Ag 5.48163 -2.12977 0.28040 0 1 0 0.00000 HETATM 64 Ag -0.90290 -5.18729 1.80333 0 1 0 0.00000 HETATM 65 Ag 0.45075 -4.50457 -0.62915 0 1 0 0.00000 HETATM 66 Ag 4.04355 -4.38514 1.40945 0 1 0 0.00000 HETATM 67 Ag 2.71312 -2.68757 -0.29301 0 1 0 0.00000 HETATM 68 Ag 5.48158 2.12988 -0.28044 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 44 36 2 45 24 18 ORDER 1 1 1 1 1 1 1 CONECT 2 44 12 36 45 1 24 ORDER 2 1 1 1 1 1 1 CONECT 3 37 35 16 23 ORDER 3 1 1 1 1 CONECT 4 8 6 5 25 16 23 ORDER 4 1 1 1 1 1 1 CONECT 5 49 10 8 6 12 4 ORDER 5 1 1 1 1 1 1 CONECT 6 49 10 7 5 4 25 ORDER 6 1 1 1 1 1 1 CONECT 7 10 6 9 25 27 ORDER 7 1 1 1 1 1 CONECT 8 50 49 37 35 5 4 ORDER 8 1 1 1 1 1 1 CONECT 9 52 10 7 68 11 27 ORDER 9 1 1 1 1 1 1 CONECT 10 52 6 9 7 5 ORDER 10 1 1 1 1 1 CONECT 11 9 55 27 22 15 ORDER 11 1 1 1 1 1 CONECT 12 55 35 5 13 2 17 ORDER 12 1 1 1 1 1 1 CONECT 13 41 12 64 45 19 20 ORDER 13 1 1 1 1 1 1 CONECT 14 20 18 31 21 29 34 ORDER 14 1 1 1 1 1 1 CONECT 15 68 11 27 30 32 26 ORDER 15 1 1 1 1 1 1 CONECT 16 3 4 24 23 28 21 ORDER 16 1 1 1 1 1 1 CONECT 17 67 12 58 33 32 31 ORDER 17 1 1 1 1 1 1 CONECT 18 1 14 20 34 ORDER 18 1 1 1 1 CONECT 19 13 57 66 64 33 ORDER 19 1 1 1 1 1 CONECT 20 13 64 45 14 18 34 ORDER 20 1 1 1 1 1 1 CONECT 21 16 24 14 23 29 34 ORDER 21 1 1 1 1 1 1 CONECT 22 11 25 32 26 28 29 ORDER 22 1 1 1 1 1 1 CONECT 23 3 4 16 24 28 21 ORDER 23 1 1 1 1 1 1 CONECT 24 36 2 16 1 23 21 ORDER 24 1 1 1 1 1 1 CONECT 25 6 7 4 27 22 26 ORDER 25 1 1 1 1 1 1 CONECT 26 25 27 22 15 32 ORDER 26 1 1 1 1 1 CONECT 27 9 7 11 25 15 26 ORDER 27 1 1 1 1 1 1 CONECT 28 16 22 23 29 ORDER 28 1 1 1 1 CONECT 29 22 14 28 31 21 34 ORDER 29 1 1 1 1 1 1 CONECT 30 68 60 58 15 33 32 ORDER 30 1 1 1 1 1 1 CONECT 31 17 14 29 34 ORDER 31 1 1 1 1 CONECT 32 17 22 30 15 33 26 ORDER 32 1 1 1 1 1 1 CONECT 33 63 17 66 30 19 32 ORDER 33 1 1 1 1 1 1 CONECT 34 14 20 18 31 21 29 ORDER 34 1 1 1 1 1 1 CONECT 35 43 37 8 12 36 3 ORDER 35 1 1 1 1 1 1 CONECT 36 43 37 35 2 1 24 ORDER 36 1 1 1 1 1 1 CONECT 37 50 43 8 35 36 3 ORDER 37 1 1 1 1 1 1 CONECT 38 46 51 47 48 50 49 ORDER 38 1 1 1 1 1 1 CONECT 39 47 42 43 40 41 44 ORDER 39 1 1 1 1 1 1 CONECT 40 47 42 39 43 41 44 ORDER 40 1 1 1 1 1 1 CONECT 41 39 40 65 13 64 45 ORDER 41 1 1 1 1 1 1 CONECT 42 51 39 54 40 ORDER 42 1 1 1 1 CONECT 43 47 39 37 40 35 36 ORDER 43 1 1 1 1 1 1 CONECT 44 39 40 2 45 1 ORDER 44 1 1 1 1 1 CONECT 45 41 44 13 2 1 20 ORDER 45 1 1 1 1 1 1 CONECT 46 51 47 48 50 49 38 ORDER 46 1 1 1 1 1 1 CONECT 47 46 51 39 38 43 40 ORDER 47 1 1 1 1 1 1 CONECT 48 46 51 38 55 ORDER 48 1 1 1 1 CONECT 49 46 50 38 8 6 5 ORDER 49 1 1 1 1 1 1 CONECT 50 46 49 38 37 8 ORDER 50 1 1 1 1 1 CONECT 51 46 47 48 42 38 54 ORDER 51 1 1 1 1 1 1 CONECT 52 53 10 62 9 55 68 ORDER 52 1 1 1 1 1 1 CONECT 53 56 52 61 62 55 ORDER 53 1 1 1 1 1 CONECT 54 51 42 56 65 67 ORDER 54 1 1 1 1 1 CONECT 55 48 53 52 12 58 11 ORDER 55 1 1 1 1 1 1 CONECT 56 53 61 54 59 65 ORDER 56 1 1 1 1 1 CONECT 57 59 65 66 64 19 ORDER 57 1 1 1 1 1 CONECT 58 62 55 68 63 17 30 ORDER 58 1 1 1 1 1 1 CONECT 59 56 61 65 67 57 66 ORDER 59 1 1 1 1 1 1 CONECT 60 62 68 63 30 ORDER 60 1 1 1 1 CONECT 61 56 53 62 59 67 63 ORDER 61 1 1 1 1 1 1 CONECT 62 53 52 61 60 58 63 ORDER 62 1 1 1 1 1 1 CONECT 63 61 62 67 60 58 33 ORDER 63 1 1 1 1 1 1 CONECT 64 65 41 13 57 19 20 ORDER 64 1 1 1 1 1 1 CONECT 65 56 54 59 41 57 64 ORDER 65 1 1 1 1 1 1 CONECT 66 59 67 57 19 33 ORDER 66 1 1 1 1 1 CONECT 67 61 54 59 63 17 66 ORDER 67 1 1 1 1 1 1 CONECT 68 52 9 60 58 30 15 ORDER 68 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3111003.19 END BIOGRF 200 DESCRP S_7733 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -0.92824 1.78026 -4.33550 0 1 0 0.00000 HETATM 2 Ag 1.70756 0.62474 -1.48544 0 1 0 0.00000 HETATM 3 Ag 3.55870 -1.01645 -2.90511 0 1 0 0.00000 HETATM 4 Ag 5.65055 0.21455 -1.40863 0 1 0 0.00000 HETATM 5 Ag 3.21423 -3.84765 -2.81233 0 1 0 0.00000 HETATM 6 Ag 5.32110 -2.61789 -1.40268 0 1 0 0.00000 HETATM 7 Ag -0.42131 -0.63051 -5.73269 0 1 0 0.00000 HETATM 8 Ag 1.40449 -2.25890 -4.31040 0 1 0 0.00000 HETATM 9 Ag 1.41029 -2.24367 -1.44337 0 1 0 0.00000 HETATM 10 Ag -2.84189 -0.37184 -1.44529 0 1 0 0.00000 HETATM 11 Ag -3.83522 -2.62027 -2.83946 0 1 0 0.00000 HETATM 12 Ag -5.24214 -0.13487 -2.81616 0 1 0 0.00000 HETATM 13 Ag 0.43040 -4.53570 0.00004 0 1 0 0.00000 HETATM 14 Ag 3.22476 -3.90949 -0.00001 0 1 0 0.00000 HETATM 15 Ag -2.34802 -5.02549 -2.77346 0 1 0 0.00000 HETATM 16 Ag -1.38106 -2.82563 -1.42619 0 1 0 0.00000 HETATM 17 Ag 0.42969 -4.49594 -2.83927 0 1 0 0.00000 HETATM 18 Ag -2.85214 -0.38908 -4.31691 0 1 0 0.00000 HETATM 19 Ag -1.39964 -2.86612 -4.29627 0 1 0 0.00000 HETATM 20 Ag -0.41256 -0.60395 -2.91355 0 1 0 0.00000 HETATM 21 Ag -0.39456 -0.56777 -0.00004 0 1 0 0.00000 HETATM 22 Ag -3.38097 2.03512 -2.91238 0 1 0 0.00000 HETATM 23 Ag -0.92916 1.80787 -1.46944 0 1 0 0.00000 HETATM 24 Ag 1.70054 0.61153 -4.34714 0 1 0 0.00000 HETATM 25 Ag 1.20829 3.04356 -2.91450 0 1 0 0.00000 HETATM 26 Ag 3.83099 1.84871 -2.88007 0 1 0 0.00000 HETATM 27 Ag 1.18484 3.00658 -0.00002 0 1 0 0.00000 HETATM 28 Ag 0.71269 5.36784 -1.40997 0 1 0 0.00000 HETATM 29 Ag 5.87361 3.02826 -1.37200 0 1 0 0.00000 HETATM 30 Ag 3.32192 4.23586 -1.40924 0 1 0 0.00000 HETATM 31 Ag -1.44183 4.17668 -2.83832 0 1 0 0.00000 HETATM 32 Ag 0.71277 5.36788 1.40990 0 1 0 0.00000 HETATM 33 Ag -3.89411 4.35966 -1.40914 0 1 0 0.00000 HETATM 34 Ag 3.78925 1.82244 -0.00003 0 1 0 0.00000 HETATM 35 Ag -3.86257 -2.64853 0.00000 0 1 0 0.00000 HETATM 36 Ag 1.40449 -2.25886 4.31042 0 1 0 0.00000 HETATM 37 Ag -1.38110 -2.82557 1.42622 0 1 0 0.00000 HETATM 38 Ag 3.55873 -1.01642 2.90515 0 1 0 0.00000 HETATM 39 Ag -2.34796 -5.02544 2.77351 0 1 0 0.00000 HETATM 40 Ag -0.41253 -0.60399 2.91360 0 1 0 0.00000 HETATM 41 Ag -3.83520 -2.62028 2.83954 0 1 0 0.00000 HETATM 42 Ag -1.39956 -2.86610 4.29632 0 1 0 0.00000 HETATM 43 Ag -0.42124 -0.63040 5.73272 0 1 0 0.00000 HETATM 44 Ag 5.32112 -2.61794 1.40264 0 1 0 0.00000 HETATM 45 Ag 1.41034 -2.24365 1.44342 0 1 0 0.00000 HETATM 46 Ag 3.21427 -3.84759 2.81230 0 1 0 0.00000 HETATM 47 Ag 0.42967 -4.49590 2.83931 0 1 0 0.00000 HETATM 48 Ag -2.35925 -5.05616 0.00004 0 1 0 0.00000 HETATM 49 Ag -5.29113 -0.17173 -0.00003 0 1 0 0.00000 HETATM 50 Ag -5.24209 -0.13482 2.81620 0 1 0 0.00000 HETATM 51 Ag 1.70060 0.61162 4.34711 0 1 0 0.00000 HETATM 52 Ag -5.75547 2.24087 1.40241 0 1 0 0.00000 HETATM 53 Ag -1.44178 4.17666 2.83832 0 1 0 0.00000 HETATM 54 Ag -0.92905 1.80786 1.46942 0 1 0 0.00000 HETATM 55 Ag -3.89400 4.35965 1.40922 0 1 0 0.00000 HETATM 56 Ag -2.84189 -0.37187 1.44529 0 1 0 0.00000 HETATM 57 Ag -3.38090 2.03507 2.91241 0 1 0 0.00000 HETATM 58 Ag -2.85210 -0.38904 4.31688 0 1 0 0.00000 HETATM 59 Ag -0.92818 1.78027 4.33547 0 1 0 0.00000 HETATM 60 Ag -3.35019 2.00539 -0.00000 0 1 0 0.00000 HETATM 61 Ag -5.75544 2.24085 -1.40235 0 1 0 0.00000 HETATM 62 Ag 1.20836 3.04358 2.91452 0 1 0 0.00000 HETATM 63 Ag 1.70758 0.62476 1.48539 0 1 0 0.00000 HETATM 64 Ag -1.45217 4.22198 -0.00001 0 1 0 0.00000 HETATM 65 Ag 5.65055 0.21451 1.40859 0 1 0 0.00000 HETATM 66 Ag 3.83107 1.84876 2.87996 0 1 0 0.00000 HETATM 67 Ag 5.87364 3.02826 1.37192 0 1 0 0.00000 HETATM 68 Ag 3.51765 -1.02197 -0.00004 0 1 0 0.00000 HETATM 69 Ag 3.32192 4.23584 1.40920 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 7 25 20 22 31 ORDER 1 1 1 1 1 1 CONECT 2 25 3 26 21 34 ORDER 2 1 1 1 1 1 CONECT 3 24 8 5 2 4 6 ORDER 3 1 1 1 1 1 1 CONECT 4 3 6 29 68 65 ORDER 4 1 1 1 1 1 CONECT 5 8 3 9 6 14 ORDER 5 1 1 1 1 1 CONECT 6 3 5 4 68 14 44 ORDER 6 1 1 1 1 1 1 CONECT 7 24 1 18 8 19 20 ORDER 7 1 1 1 1 1 1 CONECT 8 7 20 3 17 5 ORDER 8 1 1 1 1 1 CONECT 9 17 5 68 14 ORDER 9 1 1 1 1 CONECT 10 11 12 49 60 ORDER 10 1 1 1 1 CONECT 11 18 19 15 10 16 35 ORDER 11 1 1 1 1 1 1 CONECT 12 18 22 10 61 49 ORDER 12 1 1 1 1 1 CONECT 13 17 48 47 ORDER 13 1 1 1 CONECT 14 5 9 6 44 45 46 ORDER 14 1 1 1 1 1 1 CONECT 15 19 11 17 16 48 ORDER 15 1 1 1 1 1 CONECT 16 11 17 15 21 48 ORDER 16 1 1 1 1 1 CONECT 17 8 19 15 9 16 13 ORDER 17 1 1 1 1 1 1 CONECT 18 7 19 20 22 11 12 ORDER 18 1 1 1 1 1 1 CONECT 19 7 18 20 11 17 15 ORDER 19 1 1 1 1 1 1 CONECT 20 7 24 1 18 8 19 ORDER 20 1 1 1 1 1 1 CONECT 21 2 23 16 37 54 63 ORDER 21 1 1 1 1 1 1 CONECT 22 1 18 12 23 33 61 ORDER 22 1 1 1 1 1 1 CONECT 23 25 22 31 21 27 ORDER 23 1 1 1 1 1 CONECT 24 7 25 20 3 26 ORDER 24 1 1 1 1 1 CONECT 25 24 1 2 23 28 ORDER 25 1 1 1 1 1 CONECT 26 24 2 30 29 ORDER 26 1 1 1 1 CONECT 27 23 28 30 69 32 54 ORDER 27 1 1 1 1 1 1 CONECT 28 25 31 30 27 64 32 ORDER 28 1 1 1 1 1 1 CONECT 29 26 30 4 34 67 ORDER 29 1 1 1 1 1 CONECT 30 26 28 29 34 27 69 ORDER 30 1 1 1 1 1 1 CONECT 31 1 23 28 33 64 ORDER 31 1 1 1 1 1 CONECT 32 28 27 64 69 53 62 ORDER 32 1 1 1 1 1 1 CONECT 33 22 31 61 64 60 55 ORDER 33 1 1 1 1 1 1 CONECT 34 2 30 29 67 69 63 ORDER 34 1 1 1 1 1 1 CONECT 35 11 48 41 ORDER 35 1 1 1 CONECT 36 45 46 47 38 40 43 ORDER 36 1 1 1 1 1 1 CONECT 37 21 48 39 47 41 ORDER 37 1 1 1 1 1 CONECT 38 44 65 63 46 36 51 ORDER 38 1 1 1 1 1 1 CONECT 39 48 37 47 41 42 ORDER 39 1 1 1 1 1 CONECT 40 42 36 58 59 51 43 ORDER 40 1 1 1 1 1 1 CONECT 41 35 37 56 39 42 58 ORDER 41 1 1 1 1 1 1 CONECT 42 39 47 41 40 58 43 ORDER 42 1 1 1 1 1 1 CONECT 43 40 42 36 58 59 51 ORDER 43 1 1 1 1 1 1 CONECT 44 6 68 14 65 46 38 ORDER 44 1 1 1 1 1 1 CONECT 45 68 14 46 47 36 ORDER 45 1 1 1 1 1 CONECT 46 14 44 45 38 36 ORDER 46 1 1 1 1 1 CONECT 47 13 37 45 39 42 36 ORDER 47 1 1 1 1 1 1 CONECT 48 15 16 35 13 37 39 ORDER 48 1 1 1 1 1 1 CONECT 49 12 10 61 52 56 50 ORDER 49 1 1 1 1 1 1 CONECT 50 49 52 56 57 58 ORDER 50 1 1 1 1 1 CONECT 51 63 66 38 40 62 43 ORDER 51 1 1 1 1 1 1 CONECT 52 61 49 60 55 50 57 ORDER 52 1 1 1 1 1 1 CONECT 53 64 55 32 54 59 ORDER 53 1 1 1 1 1 CONECT 54 21 27 53 57 62 ORDER 54 1 1 1 1 1 CONECT 55 33 64 60 52 53 57 ORDER 55 1 1 1 1 1 1 CONECT 56 49 60 50 41 ORDER 56 1 1 1 1 CONECT 57 52 55 54 50 58 59 ORDER 57 1 1 1 1 1 1 CONECT 58 50 41 57 40 42 43 ORDER 58 1 1 1 1 1 1 CONECT 59 53 57 40 62 43 ORDER 59 1 1 1 1 1 CONECT 60 10 33 61 52 55 56 ORDER 60 1 1 1 1 1 1 CONECT 61 22 12 33 49 60 52 ORDER 61 1 1 1 1 1 1 CONECT 62 32 54 63 59 51 ORDER 62 1 1 1 1 1 CONECT 63 21 34 66 38 62 51 ORDER 63 1 1 1 1 1 1 CONECT 64 31 28 33 55 32 53 ORDER 64 1 1 1 1 1 1 CONECT 65 4 68 67 44 66 38 ORDER 65 1 1 1 1 1 1 CONECT 66 67 65 69 63 51 ORDER 66 1 1 1 1 1 CONECT 67 29 34 65 69 66 ORDER 67 1 1 1 1 1 CONECT 68 9 4 6 44 65 45 ORDER 68 1 1 1 1 1 1 CONECT 69 30 34 27 67 32 66 ORDER 69 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3156745.53 END BIOGRF 200 DESCRP S_7946 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.46339 -4.42920 1.46164 0 1 0 0.00000 HETATM 2 Ag -0.03680 -2.47046 0.16338 0 1 0 0.00000 HETATM 3 Ag 0.32840 -3.03048 -3.82146 0 1 0 0.00000 HETATM 4 Ag 0.12598 -0.30471 -4.87713 0 1 0 0.00000 HETATM 5 Ag -0.54358 -0.90749 -2.23882 0 1 0 0.00000 HETATM 6 Ag -1.81429 -3.43138 -1.84984 0 1 0 0.00000 HETATM 7 Ag -2.31673 -1.79481 -4.18978 0 1 0 0.00000 HETATM 8 Ag -4.47713 -3.00820 -2.76508 0 1 0 0.00000 HETATM 9 Ag -0.36212 1.91026 -1.53334 0 1 0 0.00000 HETATM 10 Ag -3.26060 -0.86697 -1.61319 0 1 0 0.00000 HETATM 11 Ag -2.14591 1.03446 -3.57950 0 1 0 0.00000 HETATM 12 Ag -4.50293 2.57008 -3.13974 0 1 0 0.00000 HETATM 13 Ag -4.68332 -0.23060 -3.84090 0 1 0 0.00000 HETATM 14 Ag -5.41300 -2.15421 -0.25962 0 1 0 0.00000 HETATM 15 Ag -3.97335 -4.56174 -0.37737 0 1 0 0.00000 HETATM 16 Ag -2.76120 -2.40684 0.75357 0 1 0 0.00000 HETATM 17 Ag -1.30748 -4.90726 0.59377 0 1 0 0.00000 HETATM 18 Ag 0.84021 -4.60887 -1.39573 0 1 0 0.00000 HETATM 19 Ag 1.83219 0.59088 -2.83135 0 1 0 0.00000 HETATM 20 Ag 2.52454 1.18807 -5.39463 0 1 0 0.00000 HETATM 21 Ag 0.30930 2.54063 -4.16473 0 1 0 0.00000 HETATM 22 Ag 4.56163 0.57245 -3.45980 0 1 0 0.00000 HETATM 23 Ag 2.75165 -1.51367 -4.43588 0 1 0 0.00000 HETATM 24 Ag 2.03158 -2.09434 -1.79136 0 1 0 0.00000 HETATM 25 Ag 6.47174 -0.06454 -1.40739 0 1 0 0.00000 HETATM 26 Ag 3.81243 -0.03802 -0.82908 0 1 0 0.00000 HETATM 27 Ag 0.80747 4.40480 -1.95978 0 1 0 0.00000 HETATM 28 Ag 1.14774 -0.01146 -0.24957 0 1 0 0.00000 HETATM 29 Ag 4.76384 -2.15135 -2.40495 0 1 0 0.00000 HETATM 30 Ag 3.04732 3.07384 -3.28721 0 1 0 0.00000 HETATM 31 Ag -1.95531 3.81626 -2.78504 0 1 0 0.00000 HETATM 32 Ag 5.05931 2.43527 -1.25650 0 1 0 0.00000 HETATM 33 Ag 5.38656 -1.97189 0.45030 0 1 0 0.00000 HETATM 34 Ag 2.92166 -4.16018 -3.32334 0 1 0 0.00000 HETATM 35 Ag 2.64554 -1.91734 1.02350 0 1 0 0.00000 HETATM 36 Ag 3.57684 -4.05844 -0.52497 0 1 0 0.00000 HETATM 37 Ag -0.79335 -3.13699 2.83161 0 1 0 0.00000 HETATM 38 Ag -1.32985 4.08880 0.03293 0 1 0 0.00000 HETATM 39 Ag -0.72272 4.17161 2.86681 0 1 0 0.00000 HETATM 40 Ag -0.49389 1.51074 3.99522 0 1 0 0.00000 HETATM 41 Ag -2.86029 3.04378 4.39253 0 1 0 0.00000 HETATM 42 Ag 0.45798 -0.61872 2.35346 0 1 0 0.00000 HETATM 43 Ag -0.32237 -1.21971 4.95491 0 1 0 0.00000 HETATM 44 Ag -2.66047 0.35263 5.43484 0 1 0 0.00000 HETATM 45 Ag -3.38021 4.64717 1.92814 0 1 0 0.00000 HETATM 46 Ag -2.47185 2.08507 1.87813 0 1 0 0.00000 HETATM 47 Ag 0.25686 2.08868 1.30488 0 1 0 0.00000 HETATM 48 Ag 1.43246 4.58505 0.90617 0 1 0 0.00000 HETATM 49 Ag 4.50297 1.75834 3.67679 0 1 0 0.00000 HETATM 50 Ag 4.14436 -3.80766 2.28311 0 1 0 0.00000 HETATM 51 Ag 4.38229 -1.04366 3.04076 0 1 0 0.00000 HETATM 52 Ag 1.96294 -2.55925 3.67316 0 1 0 0.00000 HETATM 53 Ag 2.14570 0.27743 4.38348 0 1 0 0.00000 HETATM 54 Ag 5.56917 0.86282 1.16014 0 1 0 0.00000 HETATM 55 Ag 2.82558 0.87719 1.72313 0 1 0 0.00000 HETATM 56 Ag 2.32289 2.42736 -0.65920 0 1 0 0.00000 HETATM 57 Ag 1.94274 3.01142 3.32455 0 1 0 0.00000 HETATM 58 Ag 4.05504 3.36429 1.33357 0 1 0 0.00000 HETATM 59 Ag 3.50192 4.84594 -1.06836 0 1 0 0.00000 HETATM 60 Ag -2.84661 -2.53805 4.71115 0 1 0 0.00000 HETATM 61 Ag -2.27371 -0.58244 2.91138 0 1 0 0.00000 HETATM 62 Ag -4.75945 -1.96573 2.73720 0 1 0 0.00000 HETATM 63 Ag -3.33834 -4.37865 2.53423 0 1 0 0.00000 HETATM 64 Ag -4.25615 0.04244 0.92553 0 1 0 0.00000 HETATM 65 Ag -4.56774 1.00947 3.48205 0 1 0 0.00000 HETATM 66 Ag -1.47619 0.01470 0.32097 0 1 0 0.00000 HETATM 67 Ag -3.08169 1.90923 -0.91816 0 1 0 0.00000 HETATM 68 Ag -5.10292 2.65983 0.94561 0 1 0 0.00000 HETATM 69 Ag -5.62526 0.70455 -1.36687 0 1 0 0.00000 HETATM 70 Ag -3.99541 4.46977 -0.89292 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 18 36 2 50 52 ORDER 1 1 1 1 1 1 CONECT 2 6 18 17 16 1 ORDER 2 1 1 1 1 1 CONECT 3 4 23 34 5 24 18 ORDER 3 1 1 1 1 1 1 CONECT 4 20 23 21 3 19 5 ORDER 4 1 1 1 1 1 1 CONECT 5 4 7 3 6 10 ORDER 5 1 1 1 1 1 CONECT 6 7 8 5 15 2 17 ORDER 6 1 1 1 1 1 1 CONECT 7 13 11 8 5 6 ORDER 7 1 1 1 1 1 CONECT 8 7 13 6 10 15 14 ORDER 8 1 1 1 1 1 1 CONECT 9 21 11 31 27 67 ORDER 9 1 1 1 1 1 CONECT 10 13 8 5 69 14 66 ORDER 10 1 1 1 1 1 1 CONECT 11 7 21 13 12 31 9 ORDER 11 1 1 1 1 1 1 CONECT 12 13 11 31 69 67 70 ORDER 12 1 1 1 1 1 1 CONECT 13 7 11 12 8 10 69 ORDER 13 1 1 1 1 1 1 CONECT 14 8 10 15 16 64 ORDER 14 1 1 1 1 1 CONECT 15 8 6 14 17 16 63 ORDER 15 1 1 1 1 1 1 CONECT 16 15 14 2 66 63 62 ORDER 16 1 1 1 1 1 1 CONECT 17 6 15 2 63 37 ORDER 17 1 1 1 1 1 CONECT 18 3 34 36 2 1 ORDER 18 1 1 1 1 1 CONECT 19 20 4 23 22 30 ORDER 19 1 1 1 1 1 CONECT 20 4 23 21 22 30 19 ORDER 20 1 1 1 1 1 1 CONECT 21 20 4 11 30 27 9 ORDER 21 1 1 1 1 1 1 CONECT 22 20 19 29 25 32 26 ORDER 22 1 1 1 1 1 1 CONECT 23 20 4 3 34 19 24 ORDER 23 1 1 1 1 1 1 CONECT 24 23 3 34 29 36 28 ORDER 24 1 1 1 1 1 1 CONECT 25 22 29 32 26 33 54 ORDER 25 1 1 1 1 1 1 CONECT 26 22 25 32 28 33 54 ORDER 26 1 1 1 1 1 1 CONECT 27 21 30 9 59 56 48 ORDER 27 1 1 1 1 1 1 CONECT 28 24 26 56 66 35 55 ORDER 28 1 1 1 1 1 1 CONECT 29 22 34 24 25 33 ORDER 29 1 1 1 1 1 CONECT 30 20 21 19 27 59 56 ORDER 30 1 1 1 1 1 1 CONECT 31 11 12 9 70 38 ORDER 31 1 1 1 1 1 CONECT 32 22 25 59 26 56 54 ORDER 32 1 1 1 1 1 1 CONECT 33 29 25 26 35 54 50 ORDER 33 1 1 1 1 1 1 CONECT 34 23 3 29 24 18 36 ORDER 34 1 1 1 1 1 1 CONECT 35 36 28 33 50 51 52 ORDER 35 1 1 1 1 1 1 CONECT 36 34 24 18 35 1 50 ORDER 36 1 1 1 1 1 1 CONECT 37 17 42 63 60 43 ORDER 37 1 1 1 1 1 CONECT 38 31 70 47 45 39 ORDER 38 1 1 1 1 1 CONECT 39 38 47 45 40 41 ORDER 39 1 1 1 1 1 CONECT 40 47 42 39 41 43 44 ORDER 40 1 1 1 1 1 1 CONECT 41 46 45 39 65 40 44 ORDER 41 1 1 1 1 1 1 CONECT 42 37 61 52 40 53 43 ORDER 42 1 1 1 1 1 1 CONECT 43 42 37 40 60 44 ORDER 43 1 1 1 1 1 CONECT 44 61 65 40 41 60 43 ORDER 44 1 1 1 1 1 1 CONECT 45 70 38 68 46 39 41 ORDER 45 1 1 1 1 1 1 CONECT 46 66 68 47 45 65 41 ORDER 46 1 1 1 1 1 1 CONECT 47 38 48 46 39 57 40 ORDER 47 1 1 1 1 1 1 CONECT 48 27 59 47 58 57 ORDER 48 1 1 1 1 1 CONECT 49 54 58 55 51 57 53 ORDER 49 1 1 1 1 1 1 CONECT 50 36 33 35 1 51 52 ORDER 50 1 1 1 1 1 1 CONECT 51 35 55 50 52 49 53 ORDER 51 1 1 1 1 1 1 CONECT 52 35 1 50 42 51 53 ORDER 52 1 1 1 1 1 1 CONECT 53 42 51 57 52 49 ORDER 53 1 1 1 1 1 CONECT 54 25 32 26 33 55 49 ORDER 54 1 1 1 1 1 1 CONECT 55 28 54 58 51 57 49 ORDER 55 1 1 1 1 1 1 CONECT 56 30 27 32 59 28 58 ORDER 56 1 1 1 1 1 1 CONECT 57 48 47 58 55 49 53 ORDER 57 1 1 1 1 1 1 CONECT 58 59 56 48 55 57 49 ORDER 58 1 1 1 1 1 1 CONECT 59 30 27 32 56 48 58 ORDER 59 1 1 1 1 1 1 CONECT 60 63 62 37 61 43 44 ORDER 60 1 1 1 1 1 1 CONECT 61 66 42 62 65 60 44 ORDER 61 1 1 1 1 1 1 CONECT 62 16 64 63 61 65 60 ORDER 62 1 1 1 1 1 1 CONECT 63 15 17 16 62 37 60 ORDER 63 1 1 1 1 1 1 CONECT 64 69 14 68 62 65 ORDER 64 1 1 1 1 1 CONECT 65 64 46 62 61 41 44 ORDER 65 1 1 1 1 1 1 CONECT 66 10 67 28 16 46 61 ORDER 66 1 1 1 1 1 1 CONECT 67 12 9 69 70 66 68 ORDER 67 1 1 1 1 1 1 CONECT 68 69 67 70 64 46 45 ORDER 68 1 1 1 1 1 1 CONECT 69 13 12 10 67 64 68 ORDER 69 1 1 1 1 1 1 CONECT 70 12 31 67 38 68 45 ORDER 70 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3202494.15 END BIOGRF 200 DESCRP S_8162 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -2.57290 1.86620 -5.95107 0 1 0 0.00000 HETATM 2 Ag -3.38800 -2.27698 2.02952 0 1 0 0.00000 HETATM 3 Ag -5.68079 -1.05136 -2.09590 0 1 0 0.00000 HETATM 4 Ag -4.19240 0.40549 -4.07691 0 1 0 0.00000 HETATM 5 Ag -1.53495 1.11338 -3.55031 0 1 0 0.00000 HETATM 6 Ag -3.09516 -0.35221 -1.60295 0 1 0 0.00000 HETATM 7 Ag -4.84274 -0.30833 0.56013 0 1 0 0.00000 HETATM 8 Ag 0.18305 1.06791 -5.76094 0 1 0 0.00000 HETATM 9 Ag -1.96165 -0.89863 -5.45037 0 1 0 0.00000 HETATM 10 Ag 2.06331 2.76328 -4.31259 0 1 0 0.00000 HETATM 11 Ag -3.54656 -2.37978 -3.50003 0 1 0 0.00000 HETATM 12 Ag -3.99298 -2.88168 -0.68868 0 1 0 0.00000 HETATM 13 Ag -3.42647 3.17794 -3.53873 0 1 0 0.00000 HETATM 14 Ag -0.50007 0.36275 -1.15671 0 1 0 0.00000 HETATM 15 Ag -3.80485 0.33271 3.26679 0 1 0 0.00000 HETATM 16 Ag -4.18376 2.46419 1.07022 0 1 0 0.00000 HETATM 17 Ag -2.19401 0.52021 1.06564 0 1 0 0.00000 HETATM 18 Ag -5.00956 1.69315 -1.59028 0 1 0 0.00000 HETATM 19 Ag -0.72230 3.58733 -4.57943 0 1 0 0.00000 HETATM 20 Ag 0.33816 2.77986 -2.10521 0 1 0 0.00000 HETATM 21 Ag 1.14056 5.18973 -3.08803 0 1 0 0.00000 HETATM 22 Ag 0.02807 2.39560 0.69310 0 1 0 0.00000 HETATM 23 Ag 2.66854 3.48915 1.21925 0 1 0 0.00000 HETATM 24 Ag -1.54254 4.87171 -2.09245 0 1 0 0.00000 HETATM 25 Ag -1.94186 4.41275 0.78645 0 1 0 0.00000 HETATM 26 Ag 2.97467 3.52013 -1.61916 0 1 0 0.00000 HETATM 27 Ag 0.24667 1.35843 3.26121 0 1 0 0.00000 HETATM 28 Ag 0.70462 4.91418 -0.27497 0 1 0 0.00000 HETATM 29 Ag 0.31543 4.22370 2.70559 0 1 0 0.00000 HETATM 30 Ag -0.20163 3.12407 5.26060 0 1 0 0.00000 HETATM 31 Ag -3.09212 -1.81883 4.96031 0 1 0 0.00000 HETATM 32 Ag -4.17021 4.39245 -1.04195 0 1 0 0.00000 HETATM 33 Ag -2.12597 2.65899 3.03182 0 1 0 0.00000 HETATM 34 Ag -1.23754 -1.05209 3.14700 0 1 0 0.00000 HETATM 35 Ag -2.33160 2.38359 -1.07522 0 1 0 0.00000 HETATM 36 Ag -1.66755 0.69251 5.23954 0 1 0 0.00000 HETATM 37 Ag 1.22473 0.28901 -3.26962 0 1 0 0.00000 HETATM 38 Ag 0.82471 -1.71835 -5.18255 0 1 0 0.00000 HETATM 39 Ag 2.91232 0.23872 -5.40660 0 1 0 0.00000 HETATM 40 Ag 4.91715 2.33547 2.80024 0 1 0 0.00000 HETATM 41 Ag 3.91663 1.08259 -2.86519 0 1 0 0.00000 HETATM 42 Ag 2.19001 0.97590 -0.68678 0 1 0 0.00000 HETATM 43 Ag 4.70521 1.76608 0.03695 0 1 0 0.00000 HETATM 44 Ag 1.30401 -1.77690 -1.16709 0 1 0 0.00000 HETATM 45 Ag 2.75755 0.89967 2.03182 0 1 0 0.00000 HETATM 46 Ag 5.19015 -3.09475 0.97937 0 1 0 0.00000 HETATM 47 Ag 3.29799 -3.64391 -1.05114 0 1 0 0.00000 HETATM 48 Ag 5.17751 -0.41981 1.93125 0 1 0 0.00000 HETATM 49 Ag 4.36970 -0.93377 -0.90322 0 1 0 0.00000 HETATM 50 Ag -0.89728 -1.64671 -2.95923 0 1 0 0.00000 HETATM 51 Ag 1.01339 -3.73555 -3.12096 0 1 0 0.00000 HETATM 52 Ag 3.11225 -1.75262 -3.33215 0 1 0 0.00000 HETATM 53 Ag -1.30356 -3.61850 -4.79343 0 1 0 0.00000 HETATM 54 Ag -1.40535 -2.05854 -0.08393 0 1 0 0.00000 HETATM 55 Ag -1.96153 -4.52975 0.94495 0 1 0 0.00000 HETATM 56 Ag -1.71918 -4.11881 -1.98522 0 1 0 0.00000 HETATM 57 Ag -1.47478 -3.81048 3.74411 0 1 0 0.00000 HETATM 58 Ag 2.44383 2.78802 4.11919 0 1 0 0.00000 HETATM 59 Ag 0.35612 -3.00066 1.84696 0 1 0 0.00000 HETATM 60 Ag -0.26222 -1.88245 5.61030 0 1 0 0.00000 HETATM 61 Ag 1.43711 -3.86278 4.25451 0 1 0 0.00000 HETATM 62 Ag 2.59624 -1.88316 6.00494 0 1 0 0.00000 HETATM 63 Ag 3.85265 0.22962 4.49357 0 1 0 0.00000 HETATM 64 Ag 1.56444 -1.13471 3.61837 0 1 0 0.00000 HETATM 65 Ag 1.23065 0.64685 5.75800 0 1 0 0.00000 HETATM 66 Ag 0.49888 -0.36180 1.15388 0 1 0 0.00000 HETATM 67 Ag 2.82516 -1.79439 1.15773 0 1 0 0.00000 HETATM 68 Ag 3.98022 -2.55751 3.56436 0 1 0 0.00000 HETATM 69 Ag 0.24017 -5.66221 2.31435 0 1 0 0.00000 HETATM 70 Ag 2.75568 -4.49789 1.69944 0 1 0 0.00000 HETATM 71 Ag 0.62651 -4.49742 -0.40246 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 8 9 19 4 5 13 ORDER 1 1 1 1 1 1 1 CONECT 2 12 54 7 55 34 15 ORDER 2 1 1 1 1 1 1 CONECT 3 4 11 6 18 12 7 ORDER 3 1 1 1 1 1 1 CONECT 4 1 5 11 3 6 ORDER 4 1 1 1 1 1 CONECT 5 1 9 19 4 13 14 ORDER 5 1 1 1 1 1 1 CONECT 6 4 11 3 18 14 7 ORDER 6 1 1 1 1 1 1 CONECT 7 3 6 17 16 2 ORDER 7 1 1 1 1 1 CONECT 8 1 39 19 10 37 ORDER 8 1 1 1 1 1 CONECT 9 1 38 53 5 50 ORDER 9 1 1 1 1 1 CONECT 10 8 39 37 21 41 20 ORDER 10 1 1 1 1 1 1 CONECT 11 53 4 50 3 6 12 ORDER 11 1 1 1 1 1 1 CONECT 12 11 3 56 54 2 ORDER 12 1 1 1 1 1 CONECT 13 1 5 18 35 32 ORDER 13 1 1 1 1 1 CONECT 14 5 37 50 20 6 66 ORDER 14 1 1 1 1 1 1 CONECT 15 17 2 33 31 36 ORDER 15 1 1 1 1 1 CONECT 16 18 35 32 7 17 33 ORDER 16 1 1 1 1 1 1 CONECT 17 7 16 34 15 ORDER 17 1 1 1 1 CONECT 18 13 3 6 35 32 16 ORDER 18 1 1 1 1 1 1 CONECT 19 1 8 5 21 20 24 ORDER 19 1 1 1 1 1 1 CONECT 20 19 10 21 24 26 14 ORDER 20 1 1 1 1 1 1 CONECT 21 19 10 20 24 26 28 ORDER 21 1 1 1 1 1 1 CONECT 22 28 25 23 29 27 ORDER 22 1 1 1 1 1 CONECT 23 26 28 43 22 45 29 ORDER 23 1 1 1 1 1 1 CONECT 24 19 21 20 35 32 28 ORDER 24 1 1 1 1 1 1 CONECT 25 35 32 28 22 29 33 ORDER 25 1 1 1 1 1 1 CONECT 26 21 41 20 42 23 ORDER 26 1 1 1 1 1 CONECT 27 22 66 33 58 30 65 ORDER 27 1 1 1 1 1 1 CONECT 28 21 24 22 25 23 ORDER 28 1 1 1 1 1 CONECT 29 22 25 23 33 58 30 ORDER 29 1 1 1 1 1 1 CONECT 30 29 33 27 58 36 65 ORDER 30 1 1 1 1 1 1 CONECT 31 34 15 57 36 60 ORDER 31 1 1 1 1 1 CONECT 32 13 24 18 35 25 16 ORDER 32 1 1 1 1 1 1 CONECT 33 25 16 29 27 15 30 ORDER 33 1 1 1 1 1 1 CONECT 34 17 66 2 31 36 60 ORDER 34 1 1 1 1 1 1 CONECT 35 13 24 18 32 25 16 ORDER 35 1 1 1 1 1 1 CONECT 36 34 15 31 30 ORDER 36 1 1 1 1 CONECT 37 8 39 38 10 52 14 ORDER 37 1 1 1 1 1 1 CONECT 38 9 39 53 37 51 50 ORDER 38 1 1 1 1 1 1 CONECT 39 8 38 10 52 37 41 ORDER 39 1 1 1 1 1 1 CONECT 40 43 48 45 58 63 ORDER 40 1 1 1 1 1 CONECT 41 39 10 52 26 49 42 ORDER 41 1 1 1 1 1 1 CONECT 42 41 26 49 43 45 ORDER 42 1 1 1 1 1 CONECT 43 49 42 23 48 40 ORDER 43 1 1 1 1 1 CONECT 44 52 51 47 67 ORDER 44 1 1 1 1 CONECT 45 42 66 23 48 40 63 ORDER 45 1 1 1 1 1 1 CONECT 46 47 67 70 48 68 ORDER 46 1 1 1 1 1 CONECT 47 44 49 71 46 70 ORDER 47 1 1 1 1 1 CONECT 48 43 46 45 40 ORDER 48 1 1 1 1 CONECT 49 52 41 47 42 43 67 ORDER 49 1 1 1 1 1 1 CONECT 50 9 38 53 11 56 14 ORDER 50 1 1 1 1 1 1 CONECT 51 38 53 52 56 44 71 ORDER 51 1 1 1 1 1 1 CONECT 52 39 37 51 41 44 49 ORDER 52 1 1 1 1 1 1 CONECT 53 9 38 11 51 50 56 ORDER 53 1 1 1 1 1 1 CONECT 54 56 12 55 59 2 ORDER 54 1 1 1 1 1 CONECT 55 71 54 2 69 57 ORDER 55 1 1 1 1 1 CONECT 56 53 51 50 12 71 54 ORDER 56 1 1 1 1 1 1 CONECT 57 55 59 69 31 ORDER 57 1 1 1 1 CONECT 58 29 40 27 30 ORDER 58 1 1 1 1 CONECT 59 71 54 66 69 57 61 ORDER 59 1 1 1 1 1 1 CONECT 60 34 61 31 65 62 ORDER 60 1 1 1 1 1 CONECT 61 59 69 68 64 60 62 ORDER 61 1 1 1 1 1 1 CONECT 62 68 64 61 63 60 65 ORDER 62 1 1 1 1 1 1 CONECT 63 45 40 68 64 65 62 ORDER 63 1 1 1 1 1 1 CONECT 64 68 61 63 65 62 ORDER 64 1 1 1 1 1 CONECT 65 27 64 63 30 60 62 ORDER 65 1 1 1 1 1 1 CONECT 66 14 67 59 45 34 27 ORDER 66 1 1 1 1 1 1 CONECT 67 44 49 46 66 70 68 ORDER 67 1 1 1 1 1 1 CONECT 68 46 67 64 61 63 62 ORDER 68 1 1 1 1 1 1 CONECT 69 71 55 70 59 57 61 ORDER 69 1 1 1 1 1 1 CONECT 70 47 46 67 69 ORDER 70 1 1 1 1 CONECT 71 51 56 47 55 59 69 ORDER 71 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3248255.31 END BIOGRF 200 DESCRP S_8381 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 2.42394 2.66641 0.14535 0 1 0 0.00000 HETATM 2 Ag -0.08355 2.01278 4.38897 0 1 0 0.00000 HETATM 3 Ag -2.53659 0.49458 4.28208 0 1 0 0.00000 HETATM 4 Ag -0.23000 -0.39810 2.92015 0 1 0 0.00000 HETATM 5 Ag -2.35527 0.61422 -1.51480 0 1 0 0.00000 HETATM 6 Ag -2.45171 0.55943 1.41515 0 1 0 0.00000 HETATM 7 Ag -2.32052 2.99054 2.91601 0 1 0 0.00000 HETATM 8 Ag -2.08943 5.39461 1.46149 0 1 0 0.00000 HETATM 9 Ag -2.20016 3.00797 0.00204 0 1 0 0.00000 HETATM 10 Ag -4.38591 3.96787 -1.46132 0 1 0 0.00000 HETATM 11 Ag -4.69414 1.51112 -0.10770 0 1 0 0.00000 HETATM 12 Ag -4.47799 3.91498 1.35436 0 1 0 0.00000 HETATM 13 Ag -1.99749 5.44778 -1.35567 0 1 0 0.00000 HETATM 14 Ag -2.12938 3.10003 -2.91141 0 1 0 0.00000 HETATM 15 Ag -4.56292 1.55067 -2.94111 0 1 0 0.00000 HETATM 16 Ag -4.08260 -1.35843 2.76778 0 1 0 0.00000 HETATM 17 Ag -3.94528 -1.29783 -0.13567 0 1 0 0.00000 HETATM 18 Ag -5.55053 -3.17220 1.18000 0 1 0 0.00000 HETATM 19 Ag -4.74915 1.44432 2.72785 0 1 0 0.00000 HETATM 20 Ag -6.15266 -0.38903 -1.60002 0 1 0 0.00000 HETATM 21 Ag -6.24483 -0.44202 1.21394 0 1 0 0.00000 HETATM 22 Ag -0.31784 -0.46564 5.73886 0 1 0 0.00000 HETATM 23 Ag 2.10570 0.14591 4.43113 0 1 0 0.00000 HETATM 24 Ag -1.83739 -2.31600 4.23422 0 1 0 0.00000 HETATM 25 Ag 1.01308 -2.52177 4.31808 0 1 0 0.00000 HETATM 26 Ag 0.15323 4.48113 2.94662 0 1 0 0.00000 HETATM 27 Ag 0.24945 4.57980 0.11205 0 1 0 0.00000 HETATM 28 Ag 0.10464 2.14190 -1.40835 0 1 0 0.00000 HETATM 29 Ag 0.33874 4.58791 -2.72397 0 1 0 0.00000 HETATM 30 Ag 0.00789 2.08751 1.52680 0 1 0 0.00000 HETATM 31 Ag 2.36578 2.63918 3.05619 0 1 0 0.00000 HETATM 32 Ag 4.53000 0.75024 3.03867 0 1 0 0.00000 HETATM 33 Ag 2.60081 5.04197 1.60850 0 1 0 0.00000 HETATM 34 Ag 2.69299 5.09502 -1.20818 0 1 0 0.00000 HETATM 35 Ag 4.74862 3.21122 1.63405 0 1 0 0.00000 HETATM 36 Ag -0.03584 -0.28840 -2.90402 0 1 0 0.00000 HETATM 37 Ag -2.25119 0.65658 -4.38028 0 1 0 0.00000 HETATM 38 Ag -3.89234 -1.24945 -3.04208 0 1 0 0.00000 HETATM 39 Ag 0.20006 2.17553 -4.27119 0 1 0 0.00000 HETATM 40 Ag 2.29805 0.26204 -1.37611 0 1 0 0.00000 HETATM 41 Ag 0.05894 -0.25087 -5.72382 0 1 0 0.00000 HETATM 42 Ag 2.55448 2.74989 -2.75927 0 1 0 0.00000 HETATM 43 Ag 4.86458 3.26834 -1.17494 0 1 0 0.00000 HETATM 44 Ag 4.73275 0.86029 -2.66888 0 1 0 0.00000 HETATM 45 Ag 2.38892 0.30773 -4.23640 0 1 0 0.00000 HETATM 46 Ag -1.74110 -2.24679 1.36522 0 1 0 0.00000 HETATM 47 Ag -3.25375 -4.12358 -0.16609 0 1 0 0.00000 HETATM 48 Ag -3.34444 -4.11664 2.64724 0 1 0 0.00000 HETATM 49 Ag 1.19916 -2.40193 -1.43293 0 1 0 0.00000 HETATM 50 Ag 2.52672 -4.42684 -2.79415 0 1 0 0.00000 HETATM 51 Ag -0.32055 -4.26491 -2.92099 0 1 0 0.00000 HETATM 52 Ag 1.29532 -2.36167 -4.29824 0 1 0 0.00000 HETATM 53 Ag -1.64634 -2.19255 -1.52344 0 1 0 0.00000 HETATM 54 Ag -0.41520 -4.35219 -0.07711 0 1 0 0.00000 HETATM 55 Ag -3.16033 -4.01086 -2.97695 0 1 0 0.00000 HETATM 56 Ag 3.65753 -1.80888 -2.79991 0 1 0 0.00000 HETATM 57 Ag 4.84947 -3.87399 -1.29850 0 1 0 0.00000 HETATM 58 Ag 2.19251 0.20497 1.57328 0 1 0 0.00000 HETATM 59 Ag 4.75817 -3.92527 1.50440 0 1 0 0.00000 HETATM 60 Ag 5.95965 -1.25565 -1.22321 0 1 0 0.00000 HETATM 61 Ag 4.59587 0.79446 0.21174 0 1 0 0.00000 HETATM 62 Ag 3.51905 -1.85750 0.09658 0 1 0 0.00000 HETATM 63 Ag 2.43028 -4.54056 0.01310 0 1 0 0.00000 HETATM 64 Ag 1.10442 -2.45652 1.45309 0 1 0 0.00000 HETATM 65 Ag 2.34338 -4.53055 2.82322 0 1 0 0.00000 HETATM 66 Ag -0.50659 -4.37113 2.76856 0 1 0 0.00000 HETATM 67 Ag 3.46857 -1.91414 2.99849 0 1 0 0.00000 HETATM 68 Ag 6.92864 1.37132 -1.03548 0 1 0 0.00000 HETATM 69 Ag 5.84449 -1.31428 1.58441 0 1 0 0.00000 HETATM 70 Ag -1.55381 -2.15359 -4.39202 0 1 0 0.00000 HETATM 71 Ag -0.13017 -0.32097 0.00730 0 1 0 0.00000 HETATM 72 Ag -5.45886 -3.11952 -1.62277 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 28 34 43 30 33 35 ORDER 1 1 1 1 1 1 1 CONECT 2 7 4 26 31 22 ORDER 2 1 1 1 1 1 CONECT 3 19 16 7 4 22 ORDER 3 1 1 1 1 1 CONECT 4 24 3 25 2 23 22 ORDER 4 1 1 1 1 1 1 CONECT 5 38 15 71 ORDER 5 1 1 1 CONECT 6 71 19 16 7 ORDER 6 1 1 1 1 CONECT 7 12 6 8 30 3 2 ORDER 7 1 1 1 1 1 1 CONECT 8 13 9 27 12 7 26 ORDER 8 1 1 1 1 1 1 CONECT 9 10 28 13 12 8 30 ORDER 9 1 1 1 1 1 1 CONECT 10 15 14 13 11 9 12 ORDER 10 1 1 1 1 1 1 CONECT 11 15 20 10 21 12 19 ORDER 11 1 1 1 1 1 1 CONECT 12 10 11 9 8 19 7 ORDER 12 1 1 1 1 1 1 CONECT 13 14 29 10 9 27 8 ORDER 13 1 1 1 1 1 1 CONECT 14 37 39 10 28 13 ORDER 14 1 1 1 1 1 CONECT 15 37 20 5 10 11 ORDER 15 1 1 1 1 1 CONECT 16 18 21 6 48 24 3 ORDER 16 1 1 1 1 1 1 CONECT 17 72 20 53 18 21 46 ORDER 17 1 1 1 1 1 1 CONECT 18 72 47 17 21 48 16 ORDER 18 1 1 1 1 1 1 CONECT 19 11 21 12 6 3 ORDER 19 1 1 1 1 1 CONECT 20 38 15 72 17 11 21 ORDER 20 1 1 1 1 1 1 CONECT 21 20 17 11 18 19 16 ORDER 21 1 1 1 1 1 1 CONECT 22 4 24 3 25 2 23 ORDER 22 1 1 1 1 1 1 CONECT 23 58 4 67 32 31 22 ORDER 23 1 1 1 1 1 1 CONECT 24 48 16 66 4 25 22 ORDER 24 1 1 1 1 1 1 CONECT 25 66 65 4 67 24 22 ORDER 25 1 1 1 1 1 1 CONECT 26 27 8 30 33 2 ORDER 26 1 1 1 1 1 CONECT 27 29 13 34 8 33 26 ORDER 27 1 1 1 1 1 1 CONECT 28 14 29 9 71 1 ORDER 28 1 1 1 1 1 CONECT 29 39 42 28 13 34 27 ORDER 29 1 1 1 1 1 1 CONECT 30 9 71 1 7 26 31 ORDER 30 1 1 1 1 1 1 CONECT 31 30 58 33 35 2 23 ORDER 31 1 1 1 1 1 1 CONECT 32 61 58 69 35 23 ORDER 32 1 1 1 1 1 CONECT 33 34 27 1 35 26 31 ORDER 33 1 1 1 1 1 1 CONECT 34 42 29 43 27 1 33 ORDER 34 1 1 1 1 1 1 CONECT 35 43 1 61 33 32 31 ORDER 35 1 1 1 1 1 1 CONECT 36 41 70 37 52 39 45 ORDER 36 1 1 1 1 1 1 CONECT 37 41 38 15 14 36 ORDER 37 1 1 1 1 1 CONECT 38 70 37 55 72 20 5 ORDER 38 1 1 1 1 1 1 CONECT 39 41 45 14 36 42 29 ORDER 39 1 1 1 1 1 1 CONECT 40 56 42 44 61 ORDER 40 1 1 1 1 CONECT 41 70 37 52 39 45 36 ORDER 41 1 1 1 1 1 1 CONECT 42 39 45 29 40 34 ORDER 42 1 1 1 1 1 CONECT 43 44 34 68 1 35 ORDER 43 1 1 1 1 1 CONECT 44 45 40 60 43 68 ORDER 44 1 1 1 1 1 CONECT 45 41 39 36 56 42 44 ORDER 45 1 1 1 1 1 1 CONECT 46 17 64 48 66 ORDER 46 1 1 1 1 CONECT 47 55 72 53 54 18 48 ORDER 47 1 1 1 1 1 1 CONECT 48 47 18 46 16 66 24 ORDER 48 1 1 1 1 1 1 CONECT 49 51 50 53 62 ORDER 49 1 1 1 1 CONECT 50 52 56 49 57 63 ORDER 50 1 1 1 1 1 CONECT 51 70 52 55 53 49 54 ORDER 51 1 1 1 1 1 1 CONECT 52 41 70 51 36 56 50 ORDER 52 1 1 1 1 1 1 CONECT 53 55 51 49 47 17 71 ORDER 53 1 1 1 1 1 1 CONECT 54 51 47 63 66 ORDER 54 1 1 1 1 CONECT 55 70 38 51 72 53 47 ORDER 55 1 1 1 1 1 1 CONECT 56 52 45 50 40 57 60 ORDER 56 1 1 1 1 1 1 CONECT 57 56 50 60 63 62 59 ORDER 57 1 1 1 1 1 1 CONECT 58 71 61 67 32 31 23 ORDER 58 1 1 1 1 1 1 CONECT 59 57 63 62 69 65 67 ORDER 59 1 1 1 1 1 1 CONECT 60 56 44 57 68 62 69 ORDER 60 1 1 1 1 1 1 CONECT 61 40 68 58 69 35 32 ORDER 61 1 1 1 1 1 1 CONECT 62 49 57 60 64 59 69 ORDER 62 1 1 1 1 1 1 CONECT 63 50 57 54 64 59 65 ORDER 63 1 1 1 1 1 1 CONECT 64 63 62 46 66 65 ORDER 64 1 1 1 1 1 CONECT 65 63 64 59 67 25 ORDER 65 1 1 1 1 1 CONECT 66 54 46 64 48 24 25 ORDER 66 1 1 1 1 1 1 CONECT 67 59 58 69 65 25 23 ORDER 67 1 1 1 1 1 1 CONECT 68 44 60 43 61 ORDER 68 1 1 1 1 CONECT 69 60 62 61 59 67 32 ORDER 69 1 1 1 1 1 1 CONECT 70 41 52 38 55 51 36 ORDER 70 1 1 1 1 1 1 CONECT 71 53 5 28 6 30 58 ORDER 71 1 1 1 1 1 1 CONECT 72 38 55 20 47 17 18 ORDER 72 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3293997.66 END BIOGRF 200 DESCRP S_8603 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -0.24186 -0.33032 0.00005 0 1 0 0.00000 HETATM 2 Ag -1.88608 -2.17946 4.31658 0 1 0 0.00000 HETATM 3 Ag -0.24694 -0.35278 2.91467 0 1 0 0.00000 HETATM 4 Ag -0.24492 -0.36821 5.73643 0 1 0 0.00000 HETATM 5 Ag 0.95485 -2.50221 4.31036 0 1 0 0.00000 HETATM 6 Ag 0.95426 -2.48945 1.44346 0 1 0 0.00000 HETATM 7 Ag -1.88261 -2.16404 1.44528 0 1 0 0.00000 HETATM 8 Ag 2.15269 -4.58972 -2.80992 0 1 0 0.00000 HETATM 9 Ag -0.69165 -4.34720 0.00001 0 1 0 0.00000 HETATM 10 Ag 2.15279 -4.58957 2.81001 0 1 0 0.00000 HETATM 11 Ag 2.14689 -4.65096 0.00003 0 1 0 0.00000 HETATM 12 Ag -0.68936 -4.31290 2.84645 0 1 0 0.00000 HETATM 13 Ag 0.95420 -2.48953 -1.44343 0 1 0 0.00000 HETATM 14 Ag 2.76468 4.94113 -1.40957 0 1 0 0.00000 HETATM 15 Ag 2.76465 4.94116 1.40945 0 1 0 0.00000 HETATM 16 Ag 4.56655 0.59995 2.87371 0 1 0 0.00000 HETATM 17 Ag 2.47588 2.57769 2.90829 0 1 0 0.00000 HETATM 18 Ag 0.34045 4.50663 2.83678 0 1 0 0.00000 HETATM 19 Ag 0.04848 2.09650 1.46799 0 1 0 0.00000 HETATM 20 Ag -2.19318 3.12020 2.91562 0 1 0 0.00000 HETATM 21 Ag 0.04850 2.07543 4.33247 0 1 0 0.00000 HETATM 22 Ag 2.15355 0.12572 1.47880 0 1 0 0.00000 HETATM 23 Ag 2.15400 0.11849 4.33975 0 1 0 0.00000 HETATM 24 Ag -2.46748 0.65942 4.33475 0 1 0 0.00000 HETATM 25 Ag 5.76834 -1.53345 -1.40738 0 1 0 0.00000 HETATM 26 Ag 4.54665 -4.10719 1.40272 0 1 0 0.00000 HETATM 27 Ag 3.34788 -2.01616 0.00002 0 1 0 0.00000 HETATM 28 Ag 4.54666 -4.10720 -1.40266 0 1 0 0.00000 HETATM 29 Ag 3.38880 -2.02167 2.89961 0 1 0 0.00000 HETATM 30 Ag 5.76835 -1.53340 1.40735 0 1 0 0.00000 HETATM 31 Ag 2.44133 2.55244 -0.00006 0 1 0 0.00000 HETATM 32 Ag 6.88445 1.05695 1.37130 0 1 0 0.00000 HETATM 33 Ag 6.88450 1.05688 -1.37135 0 1 0 0.00000 HETATM 34 Ag 4.86359 3.02528 1.40786 0 1 0 0.00000 HETATM 35 Ag 4.51905 0.58844 -0.00004 0 1 0 0.00000 HETATM 36 Ag 4.56651 0.59979 -2.87373 0 1 0 0.00000 HETATM 37 Ag 3.38879 -2.02166 -2.89959 0 1 0 0.00000 HETATM 38 Ag 4.86354 3.02524 -1.40794 0 1 0 0.00000 HETATM 39 Ag -4.68923 1.67384 2.83635 0 1 0 0.00000 HETATM 40 Ag 0.34047 4.50668 -2.83682 0 1 0 0.00000 HETATM 41 Ag -4.36168 4.10688 -1.40888 0 1 0 0.00000 HETATM 42 Ag -4.72648 1.68905 0.00005 0 1 0 0.00000 HETATM 43 Ag 0.04849 2.09652 -1.46801 0 1 0 0.00000 HETATM 44 Ag 0.34671 4.55219 -0.00003 0 1 0 0.00000 HETATM 45 Ag -2.16974 3.08195 0.00002 0 1 0 0.00000 HETATM 46 Ag -1.91123 5.48669 1.40946 0 1 0 0.00000 HETATM 47 Ag -1.91121 5.48665 -1.40955 0 1 0 0.00000 HETATM 48 Ag -4.36172 4.10684 1.40877 0 1 0 0.00000 HETATM 49 Ag -4.13717 -1.15391 2.90684 0 1 0 0.00000 HETATM 50 Ag -6.31047 -0.17513 1.40797 0 1 0 0.00000 HETATM 51 Ag -2.47565 0.67114 1.46603 0 1 0 0.00000 HETATM 52 Ag -4.13718 -1.15392 -2.90683 0 1 0 0.00000 HETATM 53 Ag -2.46756 0.65940 -4.33475 0 1 0 0.00000 HETATM 54 Ag 0.04844 2.07538 -4.33250 0 1 0 0.00000 HETATM 55 Ag -2.19314 3.12015 -2.91560 0 1 0 0.00000 HETATM 56 Ag -1.88264 -2.16403 -1.44535 0 1 0 0.00000 HETATM 57 Ag 2.15345 0.12574 -1.47879 0 1 0 0.00000 HETATM 58 Ag -3.51754 -3.94280 -2.81395 0 1 0 0.00000 HETATM 59 Ag -1.88607 -2.17954 -4.31656 0 1 0 0.00000 HETATM 60 Ag -0.68946 -4.31296 -2.84643 0 1 0 0.00000 HETATM 61 Ag -0.24490 -0.36833 -5.73639 0 1 0 0.00000 HETATM 62 Ag -0.24699 -0.35286 -2.91462 0 1 0 0.00000 HETATM 63 Ag 2.47586 2.57765 -2.90833 0 1 0 0.00000 HETATM 64 Ag 2.15395 0.11836 -4.33978 0 1 0 0.00000 HETATM 65 Ag 0.95485 -2.50224 -4.31034 0 1 0 0.00000 HETATM 66 Ag -6.31046 -0.17510 -1.40788 0 1 0 0.00000 HETATM 67 Ag -4.09463 -1.14956 0.00000 0 1 0 0.00000 HETATM 68 Ag -2.47564 0.67105 -1.46598 0 1 0 0.00000 HETATM 69 Ag -4.68926 1.67381 -2.83638 0 1 0 0.00000 HETATM 70 Ag -3.51742 -3.94281 2.81403 0 1 0 0.00000 HETATM 71 Ag -5.73031 -2.93229 1.40233 0 1 0 0.00000 HETATM 72 Ag -3.52084 -4.00252 -0.00001 0 1 0 0.00000 HETATM 73 Ag -5.73038 -2.93226 -1.40224 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 57 43 68 51 19 22 ORDER 1 1 1 1 1 1 1 CONECT 2 70 12 49 3 5 4 ORDER 2 1 1 1 1 1 1 CONECT 3 5 2 21 24 23 4 ORDER 3 1 1 1 1 1 1 CONECT 4 3 5 2 21 24 23 ORDER 4 1 1 1 1 1 1 CONECT 5 10 12 29 3 2 4 ORDER 5 1 1 1 1 1 1 CONECT 6 9 27 7 10 12 ORDER 6 1 1 1 1 1 CONECT 7 72 67 6 70 12 ORDER 7 1 1 1 1 1 CONECT 8 65 37 13 28 11 ORDER 8 1 1 1 1 1 CONECT 9 60 72 11 6 12 ORDER 9 1 1 1 1 1 CONECT 10 11 26 6 29 5 ORDER 10 1 1 1 1 1 CONECT 11 8 13 28 9 26 10 ORDER 11 1 1 1 1 1 1 CONECT 12 9 6 7 70 5 2 ORDER 12 1 1 1 1 1 1 CONECT 13 60 8 56 27 11 ORDER 13 1 1 1 1 1 CONECT 14 63 40 38 31 44 15 ORDER 14 1 1 1 1 1 1 CONECT 15 14 31 44 34 18 17 ORDER 15 1 1 1 1 1 1 CONECT 16 32 34 22 23 ORDER 16 1 1 1 1 CONECT 17 15 19 22 21 23 ORDER 17 1 1 1 1 1 CONECT 18 44 15 46 19 21 ORDER 18 1 1 1 1 1 CONECT 19 31 45 1 18 17 20 ORDER 19 1 1 1 1 1 1 CONECT 20 48 46 51 19 21 24 ORDER 20 1 1 1 1 1 1 CONECT 21 18 17 3 20 23 4 ORDER 21 1 1 1 1 1 1 CONECT 22 35 1 16 29 17 ORDER 22 1 1 1 1 1 CONECT 23 16 29 17 3 21 4 ORDER 23 1 1 1 1 1 1 CONECT 24 51 39 49 3 20 4 ORDER 24 1 1 1 1 1 1 CONECT 25 37 28 33 27 30 ORDER 25 1 1 1 1 1 CONECT 26 28 27 11 30 10 29 ORDER 26 1 1 1 1 1 1 CONECT 27 13 25 28 26 30 6 ORDER 27 1 1 1 1 1 1 CONECT 28 37 8 25 27 11 26 ORDER 28 1 1 1 1 1 1 CONECT 29 26 30 22 10 5 23 ORDER 29 1 1 1 1 1 1 CONECT 30 25 27 32 26 29 ORDER 30 1 1 1 1 1 CONECT 31 43 14 38 34 15 19 ORDER 31 1 1 1 1 1 1 CONECT 32 33 35 30 34 16 ORDER 32 1 1 1 1 1 CONECT 33 36 38 25 35 32 ORDER 33 1 1 1 1 1 CONECT 34 38 31 35 32 15 16 ORDER 34 1 1 1 1 1 1 CONECT 35 57 38 33 32 34 22 ORDER 35 1 1 1 1 1 1 CONECT 36 64 63 57 38 33 ORDER 36 1 1 1 1 1 CONECT 37 64 65 8 57 25 28 ORDER 37 1 1 1 1 1 1 CONECT 38 36 14 33 31 35 34 ORDER 38 1 1 1 1 1 1 CONECT 39 42 50 48 51 24 ORDER 39 1 1 1 1 1 CONECT 40 54 63 43 14 47 44 ORDER 40 1 1 1 1 1 1 CONECT 41 55 69 47 45 42 48 ORDER 41 1 1 1 1 1 1 CONECT 42 69 41 66 50 48 39 ORDER 42 1 1 1 1 1 1 CONECT 43 55 40 31 45 1 ORDER 43 1 1 1 1 1 CONECT 44 40 14 47 15 46 18 ORDER 44 1 1 1 1 1 1 CONECT 45 43 47 41 48 46 19 ORDER 45 1 1 1 1 1 1 CONECT 46 47 44 45 48 18 20 ORDER 46 1 1 1 1 1 1 CONECT 47 55 40 41 44 45 46 ORDER 47 1 1 1 1 1 1 CONECT 48 41 45 42 46 39 20 ORDER 48 1 1 1 1 1 1 CONECT 49 71 50 51 70 2 24 ORDER 49 1 1 1 1 1 1 CONECT 50 66 67 42 71 39 49 ORDER 50 1 1 1 1 1 1 CONECT 51 1 39 49 20 24 ORDER 51 1 1 1 1 1 CONECT 52 53 59 58 68 66 73 ORDER 52 1 1 1 1 1 1 CONECT 53 61 55 62 52 69 68 ORDER 53 1 1 1 1 1 1 CONECT 54 61 64 55 62 63 40 ORDER 54 1 1 1 1 1 1 CONECT 55 53 54 43 68 47 41 ORDER 55 1 1 1 1 1 1 CONECT 56 60 58 13 67 ORDER 56 1 1 1 1 CONECT 57 63 37 36 35 1 ORDER 57 1 1 1 1 1 CONECT 58 59 52 60 56 73 72 ORDER 58 1 1 1 1 1 1 CONECT 59 61 65 62 52 60 58 ORDER 59 1 1 1 1 1 1 CONECT 60 59 65 58 56 13 9 ORDER 60 1 1 1 1 1 1 CONECT 61 64 53 54 59 65 62 ORDER 61 1 1 1 1 1 1 CONECT 62 61 64 53 54 59 65 ORDER 62 1 1 1 1 1 1 CONECT 63 64 54 36 40 57 14 ORDER 63 1 1 1 1 1 1 CONECT 64 61 54 62 63 37 36 ORDER 64 1 1 1 1 1 1 CONECT 65 61 59 62 37 60 8 ORDER 65 1 1 1 1 1 1 CONECT 66 52 69 73 67 42 50 ORDER 66 1 1 1 1 1 1 CONECT 67 56 66 73 71 50 7 ORDER 67 1 1 1 1 1 1 CONECT 68 53 55 52 69 1 ORDER 68 1 1 1 1 1 CONECT 69 53 68 41 66 42 ORDER 69 1 1 1 1 1 CONECT 70 72 71 7 12 49 2 ORDER 70 1 1 1 1 1 1 CONECT 71 73 72 67 50 70 49 ORDER 71 1 1 1 1 1 1 CONECT 72 58 73 9 71 7 70 ORDER 72 1 1 1 1 1 1 CONECT 73 52 58 66 72 67 71 ORDER 73 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3339752.55 END BIOGRF 200 DESCRP S_8828 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -0.05229 -2.43688 -4.38422 0 1 0 0.00000 HETATM 2 Ag -2.46504 -5.56531 -1.48903 0 1 0 0.00000 HETATM 3 Ag -1.40100 2.01788 -1.53961 0 1 0 0.00000 HETATM 4 Ag -2.41385 -3.17682 -2.98907 0 1 0 0.00000 HETATM 5 Ag -2.33383 -0.70343 -4.38420 0 1 0 0.00000 HETATM 6 Ag -1.39020 2.00227 -4.38419 0 1 0 0.00000 HETATM 7 Ag 2.27547 -3.27729 -2.98908 0 1 0 0.00000 HETATM 8 Ag 2.22428 -5.66579 -1.48904 0 1 0 0.00000 HETATM 9 Ag -0.10475 -4.88750 -2.91757 0 1 0 0.00000 HETATM 10 Ag -0.05268 -2.45597 -1.53968 0 1 0 0.00000 HETATM 11 Ag -0.10577 -4.93311 -0.08001 0 1 0 0.00000 HETATM 12 Ag -2.38930 -3.14465 -0.07811 0 1 0 0.00000 HETATM 13 Ag -4.72441 -1.42382 -0.07995 0 1 0 0.00000 HETATM 14 Ag -4.68076 -1.41071 -2.91747 0 1 0 0.00000 HETATM 15 Ag -3.76728 1.31395 -2.98906 0 1 0 0.00000 HETATM 16 Ag -2.35208 -0.70887 -1.53968 0 1 0 0.00000 HETATM 17 Ag -4.70118 -3.86626 -1.48894 0 1 0 0.00000 HETATM 18 Ag -2.78811 4.01565 -2.91747 0 1 0 0.00000 HETATM 19 Ag -2.46598 -5.56699 1.32844 0 1 0 0.00000 HETATM 20 Ag -3.72903 1.30056 -0.07808 0 1 0 0.00000 HETATM 21 Ag -5.13156 3.27710 1.32845 0 1 0 0.00000 HETATM 22 Ag -6.05464 0.62462 -1.48901 0 1 0 0.00000 HETATM 23 Ag -5.12981 3.27629 -1.48896 0 1 0 0.00000 HETATM 24 Ag -2.34642 -0.70718 4.25155 0 1 0 0.00000 HETATM 25 Ag -3.77095 1.31523 2.83082 0 1 0 0.00000 HETATM 26 Ag -6.05654 0.62510 1.32847 0 1 0 0.00000 HETATM 27 Ag -2.35445 -0.70965 1.38708 0 1 0 0.00000 HETATM 28 Ag -4.68680 -1.41250 2.75564 0 1 0 0.00000 HETATM 29 Ag -2.41609 -3.17991 2.83085 0 1 0 0.00000 HETATM 30 Ag -4.70246 -3.86766 1.32853 0 1 0 0.00000 HETATM 31 Ag -0.05270 -2.45858 1.38708 0 1 0 0.00000 HETATM 32 Ag -0.10485 -4.89389 2.75562 0 1 0 0.00000 HETATM 33 Ag -0.05249 -2.45017 4.25152 0 1 0 0.00000 HETATM 34 Ag -2.81409 4.05318 -0.07996 0 1 0 0.00000 HETATM 35 Ag -1.39766 2.01305 4.25152 0 1 0 0.00000 HETATM 36 Ag -2.79171 4.02091 2.75562 0 1 0 0.00000 HETATM 37 Ag -1.40249 2.01995 1.38707 0 1 0 0.00000 HETATM 38 Ag 1.53079 5.89116 -1.48902 0 1 0 0.00000 HETATM 39 Ag -1.27695 5.95139 -1.48900 0 1 0 0.00000 HETATM 40 Ag 2.95762 3.89254 -2.91750 0 1 0 0.00000 HETATM 41 Ag 0.08550 3.98892 -2.98901 0 1 0 0.00000 HETATM 42 Ag 1.48620 1.95596 -1.53963 0 1 0 0.00000 HETATM 43 Ag 6.07772 0.36496 1.32844 0 1 0 0.00000 HETATM 44 Ag 3.82384 1.15239 2.83081 0 1 0 0.00000 HETATM 45 Ag 2.31404 -0.80713 4.25155 0 1 0 0.00000 HETATM 46 Ag 0.00007 -0.00001 5.65810 0 1 0 0.00000 HETATM 47 Ag -0.00003 -0.00005 2.83507 0 1 0 0.00000 HETATM 48 Ag 2.27772 -3.28059 2.83077 0 1 0 0.00000 HETATM 49 Ag 2.32192 -0.80984 1.38713 0 1 0 0.00000 HETATM 50 Ag 4.62196 -1.61203 2.75561 0 1 0 0.00000 HETATM 51 Ag 0.00004 0.00004 -0.07692 0 1 0 0.00000 HETATM 52 Ag 1.48261 1.95132 4.25156 0 1 0 0.00000 HETATM 53 Ag 1.48777 1.95799 1.38704 0 1 0 0.00000 HETATM 54 Ag 5.26720 3.05420 1.32847 0 1 0 0.00000 HETATM 55 Ag 2.96148 3.89763 2.75564 0 1 0 0.00000 HETATM 56 Ag -1.27709 5.95326 1.32842 0 1 0 0.00000 HETATM 57 Ag 1.53106 5.89306 1.32844 0 1 0 0.00000 HETATM 58 Ag 0.08464 3.94844 -0.07811 0 1 0 0.00000 HETATM 59 Ag 0.08560 3.99280 2.83078 0 1 0 0.00000 HETATM 60 Ag 2.98521 3.92885 -0.07997 0 1 0 0.00000 HETATM 61 Ag 2.25237 -3.24410 -0.07814 0 1 0 0.00000 HETATM 62 Ag 3.78128 1.13960 -0.07813 0 1 0 0.00000 HETATM 63 Ag 4.53242 -4.06559 1.32836 0 1 0 0.00000 HETATM 64 Ag 2.22527 -5.66749 1.32840 0 1 0 0.00000 HETATM 65 Ag 4.53118 -4.06423 -1.48900 0 1 0 0.00000 HETATM 66 Ag 4.61597 -1.60997 -2.91750 0 1 0 0.00000 HETATM 67 Ag 5.26547 3.05349 -1.48895 0 1 0 0.00000 HETATM 68 Ag 2.31948 -0.80896 -1.53972 0 1 0 0.00000 HETATM 69 Ag 6.07584 0.36464 -1.48899 0 1 0 0.00000 HETATM 70 Ag 4.65903 -1.62496 -0.08000 0 1 0 0.00000 HETATM 71 Ag 2.30151 -0.80271 -4.38427 0 1 0 0.00000 HETATM 72 Ag 3.82016 1.15137 -2.98901 0 1 0 0.00000 HETATM 73 Ag -0.00003 0.00002 -2.99332 0 1 0 0.00000 HETATM 74 Ag 1.47465 1.94084 -4.38428 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 5 73 7 4 9 10 ORDER 1 1 1 1 1 1 1 CONECT 2 4 9 17 11 12 19 ORDER 2 1 1 1 1 1 1 CONECT 3 6 18 58 20 51 ORDER 3 1 1 1 1 1 CONECT 4 1 5 2 17 ORDER 4 1 1 1 1 CONECT 5 1 73 4 15 14 16 ORDER 5 1 1 1 1 1 1 CONECT 6 73 15 41 18 3 ORDER 6 1 1 1 1 1 CONECT 7 71 1 8 65 ORDER 7 1 1 1 1 CONECT 8 7 9 65 11 61 64 ORDER 8 1 1 1 1 1 1 CONECT 9 1 10 8 2 11 ORDER 9 1 1 1 1 1 CONECT 10 1 9 61 12 51 ORDER 10 1 1 1 1 1 CONECT 11 9 8 2 64 19 32 ORDER 11 1 1 1 1 1 1 CONECT 12 10 16 2 17 19 30 ORDER 12 1 1 1 1 1 1 CONECT 13 14 22 17 26 30 28 ORDER 13 1 1 1 1 1 1 CONECT 14 5 16 22 17 13 ORDER 14 1 1 1 1 1 CONECT 15 5 6 18 22 23 ORDER 15 1 1 1 1 1 CONECT 16 5 14 12 20 51 ORDER 16 1 1 1 1 1 CONECT 17 4 14 2 13 12 30 ORDER 17 1 1 1 1 1 1 CONECT 18 6 15 3 39 23 34 ORDER 18 1 1 1 1 1 1 CONECT 19 2 11 12 30 32 29 ORDER 19 1 1 1 1 1 1 CONECT 20 16 3 22 23 21 26 ORDER 20 1 1 1 1 1 1 CONECT 21 23 34 20 26 36 25 ORDER 21 1 1 1 1 1 1 CONECT 22 15 14 23 13 20 26 ORDER 22 1 1 1 1 1 1 CONECT 23 15 18 22 34 20 21 ORDER 23 1 1 1 1 1 1 CONECT 24 27 28 25 29 47 46 ORDER 24 1 1 1 1 1 1 CONECT 25 21 26 37 27 35 24 ORDER 25 1 1 1 1 1 1 CONECT 26 22 13 20 21 28 25 ORDER 26 1 1 1 1 1 1 CONECT 27 28 25 29 24 ORDER 27 1 1 1 1 CONECT 28 13 26 30 27 24 ORDER 28 1 1 1 1 1 CONECT 29 19 30 27 31 33 24 ORDER 29 1 1 1 1 1 1 CONECT 30 17 13 12 19 28 29 ORDER 30 1 1 1 1 1 1 CONECT 31 32 48 29 ORDER 31 1 1 1 CONECT 32 11 64 19 31 33 ORDER 32 1 1 1 1 1 CONECT 33 32 48 29 47 46 ORDER 33 1 1 1 1 1 CONECT 34 18 39 23 56 21 36 ORDER 34 1 1 1 1 1 1 CONECT 35 36 59 25 47 46 ORDER 35 1 1 1 1 1 CONECT 36 34 56 21 37 35 ORDER 36 1 1 1 1 1 CONECT 37 36 59 25 ORDER 37 1 1 1 CONECT 38 41 40 39 60 58 57 ORDER 38 1 1 1 1 1 1 CONECT 39 41 18 38 34 58 56 ORDER 39 1 1 1 1 1 1 CONECT 40 74 72 42 38 67 60 ORDER 40 1 1 1 1 1 1 CONECT 41 74 6 38 39 ORDER 41 1 1 1 1 CONECT 42 74 40 62 58 51 ORDER 42 1 1 1 1 1 CONECT 43 69 70 62 54 50 44 ORDER 43 1 1 1 1 1 1 CONECT 44 43 54 53 49 45 52 ORDER 44 1 1 1 1 1 1 CONECT 45 50 48 44 47 46 ORDER 45 1 1 1 1 1 CONECT 46 47 35 33 24 45 52 ORDER 46 1 1 1 1 1 1 CONECT 47 35 33 24 45 52 46 ORDER 47 1 1 1 1 1 1 CONECT 48 63 64 31 49 33 45 ORDER 48 1 1 1 1 1 1 CONECT 49 50 48 44 ORDER 49 1 1 1 CONECT 50 70 63 43 49 45 ORDER 50 1 1 1 1 1 CONECT 51 68 10 16 42 3 53 ORDER 51 1 1 1 1 1 1 CONECT 52 55 59 44 47 46 ORDER 52 1 1 1 1 1 CONECT 53 51 55 59 44 ORDER 53 1 1 1 1 CONECT 54 67 60 62 43 55 44 ORDER 54 1 1 1 1 1 1 CONECT 55 60 57 54 53 52 ORDER 55 1 1 1 1 1 CONECT 56 39 34 58 57 36 59 ORDER 56 1 1 1 1 1 1 CONECT 57 38 60 58 56 55 59 ORDER 57 1 1 1 1 1 1 CONECT 58 42 3 38 39 56 57 ORDER 58 1 1 1 1 1 1 CONECT 59 56 57 53 37 35 52 ORDER 59 1 1 1 1 1 1 CONECT 60 40 38 67 57 54 55 ORDER 60 1 1 1 1 1 1 CONECT 61 68 10 8 65 63 64 ORDER 61 1 1 1 1 1 1 CONECT 62 68 42 69 67 43 54 ORDER 62 1 1 1 1 1 1 CONECT 63 65 70 61 64 50 48 ORDER 63 1 1 1 1 1 1 CONECT 64 8 11 61 63 32 48 ORDER 64 1 1 1 1 1 1 CONECT 65 7 66 8 70 61 63 ORDER 65 1 1 1 1 1 1 CONECT 66 71 72 68 65 69 70 ORDER 66 1 1 1 1 1 1 CONECT 67 72 40 69 60 62 54 ORDER 67 1 1 1 1 1 1 CONECT 68 71 73 66 61 62 51 ORDER 68 1 1 1 1 1 1 CONECT 69 72 66 67 70 62 43 ORDER 69 1 1 1 1 1 1 CONECT 70 66 65 69 63 43 50 ORDER 70 1 1 1 1 1 1 CONECT 71 74 73 7 72 66 68 ORDER 71 1 1 1 1 1 1 CONECT 72 74 71 40 66 69 67 ORDER 72 1 1 1 1 1 1 CONECT 73 74 71 1 5 6 68 ORDER 73 1 1 1 1 1 1 CONECT 74 71 73 72 41 40 42 ORDER 74 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3385494.89 END BIOGRF 200 DESCRP S_9056 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -3.00487 -5.29541 -1.40839 0 1 0 0.00000 HETATM 2 Ag 1.65360 -5.85966 -1.40841 0 1 0 0.00000 HETATM 3 Ag -0.59342 -4.89875 -0.00008 0 1 0 0.00000 HETATM 4 Ag -4.80318 -0.94170 -2.83503 0 1 0 0.00000 HETATM 5 Ag -2.68868 -2.89269 -0.00005 0 1 0 0.00000 HETATM 6 Ag -0.00004 0.00005 -5.73658 0 1 0 0.00000 HETATM 7 Ag 0.00005 0.00002 -2.91276 0 1 0 0.00000 HETATM 8 Ag -0.29466 -2.43250 -4.32986 0 1 0 0.00000 HETATM 9 Ag -0.58860 -4.85905 -2.83515 0 1 0 0.00000 HETATM 10 Ag 1.94150 -3.48909 -2.90914 0 1 0 0.00000 HETATM 11 Ag -1.19143 2.14115 -4.32982 0 1 0 0.00000 HETATM 12 Ag -0.29569 -2.44105 -1.46453 0 1 0 0.00000 HETATM 13 Ag -2.40462 -0.47142 -4.32981 0 1 0 0.00000 HETATM 14 Ag -2.71850 -2.92466 -2.90912 0 1 0 0.00000 HETATM 15 Ag 2.22246 -1.03185 -4.32982 0 1 0 0.00000 HETATM 16 Ag -2.37996 4.27706 -2.83507 0 1 0 0.00000 HETATM 17 Ag -1.19565 2.14870 -1.46446 0 1 0 0.00000 HETATM 18 Ag 1.66823 1.79485 -4.32977 0 1 0 0.00000 HETATM 19 Ag -0.68160 6.05028 -1.40840 0 1 0 0.00000 HETATM 20 Ag -0.58857 -4.85912 2.83509 0 1 0 0.00000 HETATM 21 Ag -3.00482 -5.29539 1.40834 0 1 0 0.00000 HETATM 22 Ag -2.71842 -2.92469 2.90914 0 1 0 0.00000 HETATM 23 Ag -5.06192 -3.38341 1.40833 0 1 0 0.00000 HETATM 24 Ag -4.84238 -0.94940 0.00002 0 1 0 0.00000 HETATM 25 Ag -0.29566 -2.44109 1.46443 0 1 0 0.00000 HETATM 26 Ag -5.06191 -3.38339 -1.40833 0 1 0 0.00000 HETATM 27 Ag -2.41293 -0.47315 1.46446 0 1 0 0.00000 HETATM 28 Ag -2.41296 -0.47312 -1.46450 0 1 0 0.00000 HETATM 29 Ag -4.80311 -0.94172 2.83514 0 1 0 0.00000 HETATM 30 Ag -3.58194 1.66314 0.00002 0 1 0 0.00000 HETATM 31 Ag -5.96475 1.22140 1.40842 0 1 0 0.00000 HETATM 32 Ag -2.40450 -0.47149 4.32978 0 1 0 0.00000 HETATM 33 Ag -5.96480 1.22138 -1.40831 0 1 0 0.00000 HETATM 34 Ag -4.78204 3.76867 -1.40837 0 1 0 0.00000 HETATM 35 Ag -3.62164 1.68162 -2.90912 0 1 0 0.00000 HETATM 36 Ag -4.78203 3.76864 1.40843 0 1 0 0.00000 HETATM 37 Ag -2.39936 4.31196 0.00004 0 1 0 0.00000 HETATM 38 Ag -3.62155 1.68159 2.90915 0 1 0 0.00000 HETATM 39 Ag -1.19142 2.14110 4.32985 0 1 0 0.00000 HETATM 40 Ag -1.19562 2.14866 1.46450 0 1 0 0.00000 HETATM 41 Ag -0.68159 6.05025 1.40840 0 1 0 0.00000 HETATM 42 Ag 0.47492 3.92056 -0.00001 0 1 0 0.00000 HETATM 43 Ag -2.37989 4.27704 2.83510 0 1 0 0.00000 HETATM 44 Ag 0.48021 3.96398 -2.90911 0 1 0 0.00000 HETATM 45 Ag -0.00005 -0.00002 2.91277 0 1 0 0.00000 HETATM 46 Ag 0.00004 -0.00005 5.73659 0 1 0 0.00000 HETATM 47 Ag -0.29465 -2.43255 4.32981 0 1 0 0.00000 HETATM 48 Ag 1.66817 1.79476 4.32983 0 1 0 0.00000 HETATM 49 Ag 0.48017 3.96399 2.90910 0 1 0 0.00000 HETATM 50 Ag 2.10650 5.71255 1.40833 0 1 0 0.00000 HETATM 51 Ag 2.10651 5.71257 -1.40833 0 1 0 0.00000 HETATM 52 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 53 Ag 2.22241 -1.03194 4.32979 0 1 0 0.00000 HETATM 54 Ag 3.33231 3.58505 2.83517 0 1 0 0.00000 HETATM 55 Ag 5.54351 2.51785 1.40835 0 1 0 0.00000 HETATM 56 Ag 3.35952 3.61439 0.00002 0 1 0 0.00000 HETATM 57 Ag 1.67402 1.80103 -1.46448 0 1 0 0.00000 HETATM 58 Ag 3.91837 0.76830 2.90915 0 1 0 0.00000 HETATM 59 Ag 6.08389 -0.23811 1.40833 0 1 0 0.00000 HETATM 60 Ag 1.94148 -3.48921 2.90912 0 1 0 0.00000 HETATM 61 Ag 4.43936 -2.06140 2.83510 0 1 0 0.00000 HETATM 62 Ag 2.23023 -1.03550 1.46447 0 1 0 0.00000 HETATM 63 Ag 3.87547 0.75984 -0.00003 0 1 0 0.00000 HETATM 64 Ag 5.54352 2.51787 -1.40831 0 1 0 0.00000 HETATM 65 Ag 3.33228 3.58512 -2.83508 0 1 0 0.00000 HETATM 66 Ag 1.65355 -5.85973 1.40833 0 1 0 0.00000 HETATM 67 Ag 4.10770 -4.49413 1.40830 0 1 0 0.00000 HETATM 68 Ag 4.47565 -2.07819 0.00002 0 1 0 0.00000 HETATM 69 Ag 6.08390 -0.23809 -1.40833 0 1 0 0.00000 HETATM 70 Ag 2.23026 -1.03555 -1.46451 0 1 0 0.00000 HETATM 71 Ag 1.92022 -3.45096 0.00000 0 1 0 0.00000 HETATM 72 Ag 4.10771 -4.49411 -1.40836 0 1 0 0.00000 HETATM 73 Ag 4.43933 -2.06133 -2.83515 0 1 0 0.00000 HETATM 74 Ag 3.91834 0.76824 -2.90913 0 1 0 0.00000 HETATM 75 Ag 1.67405 1.80100 1.46448 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 14 9 26 3 5 21 ORDER 1 1 1 1 1 1 1 CONECT 2 10 9 72 3 71 66 ORDER 2 1 1 1 1 1 1 CONECT 3 9 2 1 66 21 20 ORDER 3 1 1 1 1 1 1 CONECT 4 13 28 26 33 24 ORDER 4 1 1 1 1 1 CONECT 5 28 1 26 23 21 27 ORDER 5 1 1 1 1 1 1 CONECT 6 8 11 15 13 18 7 ORDER 6 1 1 1 1 1 1 CONECT 7 6 8 11 15 13 18 ORDER 7 1 1 1 1 1 1 CONECT 8 6 7 10 14 9 12 ORDER 8 1 1 1 1 1 1 CONECT 9 8 12 2 1 3 ORDER 9 1 1 1 1 1 CONECT 10 8 15 12 70 2 72 ORDER 10 1 1 1 1 1 1 CONECT 11 6 7 35 44 16 ORDER 11 1 1 1 1 1 CONECT 12 8 10 14 9 71 ORDER 12 1 1 1 1 1 CONECT 13 6 7 14 35 4 ORDER 13 1 1 1 1 1 CONECT 14 8 13 12 28 1 26 ORDER 14 1 1 1 1 1 1 CONECT 15 6 7 10 74 73 70 ORDER 15 1 1 1 1 1 1 CONECT 16 11 17 19 34 37 ORDER 16 1 1 1 1 1 CONECT 17 35 44 16 42 30 ORDER 17 1 1 1 1 1 CONECT 18 6 7 74 44 65 ORDER 18 1 1 1 1 1 CONECT 19 44 16 51 42 37 41 ORDER 19 1 1 1 1 1 1 CONECT 20 3 66 21 25 47 ORDER 20 1 1 1 1 1 CONECT 21 1 3 5 23 20 22 ORDER 21 1 1 1 1 1 1 CONECT 22 23 21 25 27 32 47 ORDER 22 1 1 1 1 1 1 CONECT 23 26 5 24 21 29 22 ORDER 23 1 1 1 1 1 1 CONECT 24 4 26 33 23 31 29 ORDER 24 1 1 1 1 1 1 CONECT 25 71 52 20 60 22 ORDER 25 1 1 1 1 1 CONECT 26 14 4 1 5 24 23 ORDER 26 1 1 1 1 1 1 CONECT 27 5 52 30 29 22 ORDER 27 1 1 1 1 1 CONECT 28 14 35 4 5 52 ORDER 28 1 1 1 1 1 CONECT 29 24 23 31 27 38 32 ORDER 29 1 1 1 1 1 1 CONECT 30 17 34 33 31 36 27 ORDER 30 1 1 1 1 1 1 CONECT 31 33 24 30 36 29 38 ORDER 31 1 1 1 1 1 1 CONECT 32 29 22 38 45 47 46 ORDER 32 1 1 1 1 1 1 CONECT 33 35 4 34 24 30 31 ORDER 33 1 1 1 1 1 1 CONECT 34 35 16 33 30 37 36 ORDER 34 1 1 1 1 1 1 CONECT 35 11 13 28 17 34 33 ORDER 35 1 1 1 1 1 1 CONECT 36 34 30 37 31 43 38 ORDER 36 1 1 1 1 1 1 CONECT 37 16 19 34 41 36 43 ORDER 37 1 1 1 1 1 1 CONECT 38 31 36 40 29 32 39 ORDER 38 1 1 1 1 1 1 CONECT 39 43 49 38 45 46 ORDER 39 1 1 1 1 1 CONECT 40 43 49 38 ORDER 40 1 1 1 CONECT 41 19 42 37 50 43 49 ORDER 41 1 1 1 1 1 1 CONECT 42 57 17 19 51 50 41 ORDER 42 1 1 1 1 1 1 CONECT 43 37 41 36 40 39 ORDER 43 1 1 1 1 1 CONECT 44 11 18 57 17 19 51 ORDER 44 1 1 1 1 1 1 CONECT 45 32 53 47 48 39 46 ORDER 45 1 1 1 1 1 1 CONECT 46 45 32 53 47 48 39 ORDER 46 1 1 1 1 1 1 CONECT 47 20 60 22 45 32 46 ORDER 47 1 1 1 1 1 1 CONECT 48 75 54 49 58 45 46 ORDER 48 1 1 1 1 1 1 CONECT 49 50 41 75 40 48 39 ORDER 49 1 1 1 1 1 1 CONECT 50 51 42 56 41 54 49 ORDER 50 1 1 1 1 1 1 CONECT 51 44 65 19 42 56 50 ORDER 51 1 1 1 1 1 1 CONECT 52 28 57 25 27 62 75 ORDER 52 1 1 1 1 1 1 CONECT 53 61 60 58 45 46 ORDER 53 1 1 1 1 1 CONECT 54 56 50 55 75 48 ORDER 54 1 1 1 1 1 CONECT 55 64 63 56 59 54 58 ORDER 55 1 1 1 1 1 1 CONECT 56 65 51 64 50 55 54 ORDER 56 1 1 1 1 1 1 CONECT 57 74 44 65 42 52 ORDER 57 1 1 1 1 1 CONECT 58 59 55 62 75 53 48 ORDER 58 1 1 1 1 1 1 CONECT 59 69 63 68 55 61 58 ORDER 59 1 1 1 1 1 1 CONECT 60 67 66 25 62 53 47 ORDER 60 1 1 1 1 1 1 CONECT 61 68 67 59 62 53 ORDER 61 1 1 1 1 1 CONECT 62 63 52 61 60 58 ORDER 62 1 1 1 1 1 CONECT 63 70 69 64 59 55 62 ORDER 63 1 1 1 1 1 1 CONECT 64 74 65 69 63 56 55 ORDER 64 1 1 1 1 1 1 CONECT 65 18 57 51 64 56 ORDER 65 1 1 1 1 1 CONECT 66 2 3 71 67 20 60 ORDER 66 1 1 1 1 1 1 CONECT 67 72 71 68 66 61 60 ORDER 67 1 1 1 1 1 1 CONECT 68 73 72 69 67 59 61 ORDER 68 1 1 1 1 1 1 CONECT 69 74 73 64 63 68 59 ORDER 69 1 1 1 1 1 1 CONECT 70 15 10 74 73 63 ORDER 70 1 1 1 1 1 CONECT 71 12 2 72 67 66 25 ORDER 71 1 1 1 1 1 1 CONECT 72 10 73 2 71 68 67 ORDER 72 1 1 1 1 1 1 CONECT 73 15 70 72 69 68 ORDER 73 1 1 1 1 1 CONECT 74 15 18 70 57 69 64 ORDER 74 1 1 1 1 1 1 CONECT 75 52 54 49 58 48 ORDER 75 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3431246.64 END BIOGRF 200 DESCRP S_9287 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -1.43625 -4.69405 0.06456 0 1 0 0.00000 HETATM 2 Ag -3.83763 -4.60850 1.55277 0 1 0 0.00000 HETATM 3 Ag -1.51574 -4.65273 -2.76722 0 1 0 0.00000 HETATM 4 Ag 1.23239 -3.79864 -2.93578 0 1 0 0.00000 HETATM 5 Ag -0.70869 -2.33921 -1.42475 0 1 0 0.00000 HETATM 6 Ag 0.53921 -6.06651 -1.40958 0 1 0 0.00000 HETATM 7 Ag -3.92869 -4.61061 -1.26229 0 1 0 0.00000 HETATM 8 Ag -0.80356 -2.32969 -4.28698 0 1 0 0.00000 HETATM 9 Ag 3.21125 -5.20201 -1.49833 0 1 0 0.00000 HETATM 10 Ag 1.93813 -1.44243 -4.38135 0 1 0 0.00000 HETATM 11 Ag 3.96161 -2.87961 -2.95107 0 1 0 0.00000 HETATM 12 Ag 0.10609 -0.00003 0.01310 0 1 0 0.00000 HETATM 13 Ag 1.31490 -3.75687 -0.02654 0 1 0 0.00000 HETATM 14 Ag 3.99187 -0.00006 -3.02685 0 1 0 0.00000 HETATM 15 Ag 2.04006 -1.44756 -1.51652 0 1 0 0.00000 HETATM 16 Ag 0.63147 -6.06592 1.40597 0 1 0 0.00000 HETATM 17 Ag 2.04009 1.44755 -1.51653 0 1 0 0.00000 HETATM 18 Ag 1.93815 1.44239 -4.38140 0 1 0 0.00000 HETATM 19 Ag 3.30370 -5.20197 1.31742 0 1 0 0.00000 HETATM 20 Ag 2.13691 -1.44777 1.41256 0 1 0 0.00000 HETATM 21 Ag 2.22517 -1.44299 4.27898 0 1 0 0.00000 HETATM 22 Ag 1.42421 -3.79824 2.88239 0 1 0 0.00000 HETATM 23 Ag 4.14882 -2.87978 2.71742 0 1 0 0.00000 HETATM 24 Ag -0.61178 -2.33980 1.50178 0 1 0 0.00000 HETATM 25 Ag 0.20491 0.00006 2.92836 0 1 0 0.00000 HETATM 26 Ag -0.51840 -2.32887 4.36404 0 1 0 0.00000 HETATM 27 Ag -1.33009 -4.65165 2.89543 0 1 0 0.00000 HETATM 28 Ag 0.29229 0.00003 5.74936 0 1 0 0.00000 HETATM 29 Ag 2.22522 1.44298 4.27898 0 1 0 0.00000 HETATM 30 Ag 4.04372 -0.00006 -0.11650 0 1 0 0.00000 HETATM 31 Ag 2.13693 1.44779 1.41257 0 1 0 0.00000 HETATM 32 Ag 4.14889 2.87974 2.71734 0 1 0 0.00000 HETATM 33 Ag 4.18375 -0.00006 2.79095 0 1 0 0.00000 HETATM 34 Ag 6.06308 -1.40460 1.22620 0 1 0 0.00000 HETATM 35 Ag 4.08766 2.90333 -0.11801 0 1 0 0.00000 HETATM 36 Ag 4.08753 -2.90332 -0.11796 0 1 0 0.00000 HETATM 37 Ag 6.06316 1.40447 1.22615 0 1 0 0.00000 HETATM 38 Ag 5.97026 -1.40459 -1.58934 0 1 0 0.00000 HETATM 39 Ag 5.97025 1.40447 -1.58940 0 1 0 0.00000 HETATM 40 Ag 3.96165 2.87948 -2.95108 0 1 0 0.00000 HETATM 41 Ag -3.04134 -2.34313 3.02275 0 1 0 0.00000 HETATM 42 Ag -3.09539 -2.32575 0.11706 0 1 0 0.00000 HETATM 43 Ag -5.49088 -2.32335 1.59753 0 1 0 0.00000 HETATM 44 Ag -2.48867 -0.00000 -4.23663 0 1 0 0.00000 HETATM 45 Ag -4.90109 0.00003 -2.67587 0 1 0 0.00000 HETATM 46 Ag -3.23114 -2.34564 -2.78333 0 1 0 0.00000 HETATM 47 Ag 0.00932 -0.00005 -2.89987 0 1 0 0.00000 HETATM 48 Ag -0.08761 -0.00001 -5.72121 0 1 0 0.00000 HETATM 49 Ag -5.60636 -2.32601 -1.21101 0 1 0 0.00000 HETATM 50 Ag -0.80347 2.32962 -4.28699 0 1 0 0.00000 HETATM 51 Ag -2.39331 -0.00003 -1.37739 0 1 0 0.00000 HETATM 52 Ag -3.23114 2.34569 -2.78333 0 1 0 0.00000 HETATM 53 Ag -4.76000 0.00005 0.20174 0 1 0 0.00000 HETATM 54 Ag -7.16305 0.00008 -1.04625 0 1 0 0.00000 HETATM 55 Ag 1.42422 3.79824 2.88241 0 1 0 0.00000 HETATM 56 Ag -3.04132 2.34315 3.02281 0 1 0 0.00000 HETATM 57 Ag -4.69540 0.00006 3.02867 0 1 0 0.00000 HETATM 58 Ag -2.20303 0.00003 4.42860 0 1 0 0.00000 HETATM 59 Ag -0.61179 2.33982 1.50182 0 1 0 0.00000 HETATM 60 Ag -0.51833 2.32884 4.36397 0 1 0 0.00000 HETATM 61 Ag -2.28714 -0.00002 1.57072 0 1 0 0.00000 HETATM 62 Ag -5.60628 2.32610 -1.21100 0 1 0 0.00000 HETATM 63 Ag -5.49093 2.32346 1.59755 0 1 0 0.00000 HETATM 64 Ag 1.31494 3.75683 -0.02658 0 1 0 0.00000 HETATM 65 Ag -0.70864 2.33928 -1.42474 0 1 0 0.00000 HETATM 66 Ag -1.51566 4.65275 -2.76713 0 1 0 0.00000 HETATM 67 Ag 1.23242 3.79862 -2.93577 0 1 0 0.00000 HETATM 68 Ag 3.21140 5.20195 -1.49839 0 1 0 0.00000 HETATM 69 Ag -1.43614 4.69404 0.06459 0 1 0 0.00000 HETATM 70 Ag 0.53931 6.06648 -1.40963 0 1 0 0.00000 HETATM 71 Ag 3.30387 5.20190 1.31739 0 1 0 0.00000 HETATM 72 Ag 0.63161 6.06589 1.40602 0 1 0 0.00000 HETATM 73 Ag -3.09537 2.32584 0.11695 0 1 0 0.00000 HETATM 74 Ag -3.83757 4.60864 1.55272 0 1 0 0.00000 HETATM 75 Ag -1.33001 4.65173 2.89535 0 1 0 0.00000 HETATM 76 Ag -3.92853 4.61069 -1.26241 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 3 6 7 16 2 27 ORDER 1 1 1 1 1 1 1 CONECT 2 7 1 42 43 27 41 ORDER 2 1 1 1 1 1 1 CONECT 3 8 46 5 6 7 1 ORDER 3 1 1 1 1 1 1 CONECT 4 10 8 15 9 5 6 ORDER 4 1 1 1 1 1 1 CONECT 5 8 4 3 13 42 ORDER 5 1 1 1 1 1 CONECT 6 4 3 9 13 1 16 ORDER 6 1 1 1 1 1 1 CONECT 7 46 3 49 1 42 2 ORDER 7 1 1 1 1 1 1 CONECT 8 48 4 47 46 3 5 ORDER 8 1 1 1 1 1 1 CONECT 9 11 4 6 36 13 19 ORDER 9 1 1 1 1 1 1 CONECT 10 48 14 11 4 47 ORDER 10 1 1 1 1 1 CONECT 11 10 38 15 9 36 ORDER 11 1 1 1 1 1 CONECT 12 17 15 51 20 31 61 ORDER 12 1 1 1 1 1 1 CONECT 13 9 5 6 19 16 24 ORDER 13 1 1 1 1 1 1 CONECT 14 18 10 39 38 17 15 ORDER 14 1 1 1 1 1 1 CONECT 15 14 11 4 30 12 ORDER 15 1 1 1 1 1 CONECT 16 6 13 1 19 22 27 ORDER 16 1 1 1 1 1 1 CONECT 17 14 40 12 ORDER 17 1 1 1 CONECT 18 48 14 40 67 47 ORDER 18 1 1 1 1 1 CONECT 19 9 36 13 16 23 22 ORDER 19 1 1 1 1 1 1 CONECT 20 30 12 23 33 22 ORDER 20 1 1 1 1 1 CONECT 21 23 33 22 25 28 ORDER 21 1 1 1 1 1 CONECT 22 19 16 20 24 21 26 ORDER 22 1 1 1 1 1 1 CONECT 23 36 34 19 20 21 ORDER 23 1 1 1 1 1 CONECT 24 13 42 22 27 26 ORDER 24 1 1 1 1 1 CONECT 25 29 21 60 26 58 28 ORDER 25 1 1 1 1 1 1 CONECT 26 24 22 27 25 41 28 ORDER 26 1 1 1 1 1 1 CONECT 27 1 16 24 2 26 ORDER 27 1 1 1 1 1 CONECT 28 25 29 21 60 26 58 ORDER 28 1 1 1 1 1 1 CONECT 29 31 32 33 55 25 28 ORDER 29 1 1 1 1 1 1 CONECT 30 39 38 15 37 34 20 ORDER 30 1 1 1 1 1 1 CONECT 31 12 32 33 55 29 ORDER 31 1 1 1 1 1 CONECT 32 35 37 71 31 29 ORDER 32 1 1 1 1 1 CONECT 33 37 34 20 31 29 21 ORDER 33 1 1 1 1 1 1 CONECT 34 38 36 30 37 23 33 ORDER 34 1 1 1 1 1 1 CONECT 35 40 39 68 37 71 32 ORDER 35 1 1 1 1 1 1 CONECT 36 11 38 9 34 19 23 ORDER 36 1 1 1 1 1 1 CONECT 37 39 35 30 34 32 33 ORDER 37 1 1 1 1 1 1 CONECT 38 14 11 39 36 30 34 ORDER 38 1 1 1 1 1 1 CONECT 39 14 40 38 35 30 37 ORDER 39 1 1 1 1 1 1 CONECT 40 18 67 39 17 68 35 ORDER 40 1 1 1 1 1 1 CONECT 41 2 61 43 57 26 58 ORDER 41 1 1 1 1 1 1 CONECT 42 5 7 49 24 2 43 ORDER 42 1 1 1 1 1 1 CONECT 43 49 42 53 2 41 57 ORDER 43 1 1 1 1 1 1 CONECT 44 48 47 46 52 45 ORDER 44 1 1 1 1 1 CONECT 45 44 51 49 62 54 ORDER 45 1 1 1 1 1 CONECT 46 8 44 3 51 7 49 ORDER 46 1 1 1 1 1 1 CONECT 47 48 18 10 50 8 44 ORDER 47 1 1 1 1 1 1 CONECT 48 18 10 50 8 44 47 ORDER 48 1 1 1 1 1 1 CONECT 49 46 45 7 54 42 43 ORDER 49 1 1 1 1 1 1 CONECT 50 48 67 47 52 66 65 ORDER 50 1 1 1 1 1 1 CONECT 51 46 52 45 12 53 ORDER 51 1 1 1 1 1 CONECT 52 50 44 65 51 76 62 ORDER 52 1 1 1 1 1 1 CONECT 53 51 54 61 43 63 57 ORDER 53 1 1 1 1 1 1 CONECT 54 45 49 62 53 ORDER 54 1 1 1 1 CONECT 55 71 72 31 59 29 60 ORDER 55 1 1 1 1 1 1 CONECT 56 59 74 61 63 60 58 ORDER 56 1 1 1 1 1 1 CONECT 57 53 61 43 63 41 58 ORDER 57 1 1 1 1 1 1 CONECT 58 61 25 41 56 57 28 ORDER 58 1 1 1 1 1 1 CONECT 59 64 73 55 75 56 60 ORDER 59 1 1 1 1 1 1 CONECT 60 59 55 75 25 56 28 ORDER 60 1 1 1 1 1 1 CONECT 61 12 53 41 56 57 58 ORDER 61 1 1 1 1 1 1 CONECT 62 52 45 76 54 73 63 ORDER 62 1 1 1 1 1 1 CONECT 63 62 73 53 74 56 57 ORDER 63 1 1 1 1 1 1 CONECT 64 68 65 70 71 72 59 ORDER 64 1 1 1 1 1 1 CONECT 65 50 67 52 66 64 73 ORDER 65 1 1 1 1 1 1 CONECT 66 50 65 70 76 69 ORDER 66 1 1 1 1 1 CONECT 67 18 50 40 68 65 70 ORDER 67 1 1 1 1 1 1 CONECT 68 40 67 70 35 64 71 ORDER 68 1 1 1 1 1 1 CONECT 69 66 70 76 72 74 75 ORDER 69 1 1 1 1 1 1 CONECT 70 67 66 68 64 69 72 ORDER 70 1 1 1 1 1 1 CONECT 71 68 35 64 72 32 55 ORDER 71 1 1 1 1 1 1 CONECT 72 70 64 69 71 55 75 ORDER 72 1 1 1 1 1 1 CONECT 73 65 76 62 59 74 63 ORDER 73 1 1 1 1 1 1 CONECT 74 76 69 73 63 75 56 ORDER 74 1 1 1 1 1 1 CONECT 75 69 72 59 74 60 ORDER 75 1 1 1 1 1 CONECT 76 52 66 62 69 73 74 ORDER 76 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3477001.53 END BIOGRF 200 DESCRP S_9521 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 6.11381 -1.40465 -1.40844 0 1 0 0.00000 HETATM 2 Ag 2.18412 -1.44821 -1.46531 0 1 0 0.00000 HETATM 3 Ag 4.15180 -2.88036 -2.83558 0 1 0 0.00000 HETATM 4 Ag 4.18419 0.00001 -2.91031 0 1 0 0.00000 HETATM 5 Ag 4.18386 2.90398 0.00004 0 1 0 0.00000 HETATM 6 Ag 6.11385 1.40469 -1.40840 0 1 0 0.00000 HETATM 7 Ag 4.13990 -0.00003 -0.00003 0 1 0 0.00000 HETATM 8 Ag 6.11388 1.40467 1.40846 0 1 0 0.00000 HETATM 9 Ag 4.18416 -0.00005 2.91032 0 1 0 0.00000 HETATM 10 Ag 2.17829 -1.44341 4.33283 0 1 0 0.00000 HETATM 11 Ag 2.18413 -1.44829 1.46518 0 1 0 0.00000 HETATM 12 Ag -0.56731 -2.33966 1.46345 0 1 0 0.00000 HETATM 13 Ag -3.79393 -4.60908 1.40841 0 1 0 0.00000 HETATM 14 Ag 6.11384 -1.40467 1.40842 0 1 0 0.00000 HETATM 15 Ag 4.15181 -2.88034 2.83561 0 1 0 0.00000 HETATM 16 Ag -0.56662 -2.32926 4.32711 0 1 0 0.00000 HETATM 17 Ag 4.18385 -2.90402 -0.00003 0 1 0 0.00000 HETATM 18 Ag -1.33113 -4.65209 2.83235 0 1 0 0.00000 HETATM 19 Ag 0.20156 0.00002 -0.00001 0 1 0 0.00000 HETATM 20 Ag 1.42255 -3.79855 2.91037 0 1 0 0.00000 HETATM 21 Ag -3.00696 -2.32731 0.00000 0 1 0 0.00000 HETATM 22 Ag -3.79405 -4.60897 -1.40848 0 1 0 0.00000 HETATM 23 Ag 0.67807 -6.06587 1.40830 0 1 0 0.00000 HETATM 24 Ag -1.33125 -4.65191 -2.83245 0 1 0 0.00000 HETATM 25 Ag -1.34540 -4.69388 -0.00007 0 1 0 0.00000 HETATM 26 Ag 3.35233 -5.20246 1.40852 0 1 0 0.00000 HETATM 27 Ag 3.35227 -5.20245 -1.40856 0 1 0 0.00000 HETATM 28 Ag 1.40884 -3.75699 0.00001 0 1 0 0.00000 HETATM 29 Ag 0.67805 -6.06585 -1.40855 0 1 0 0.00000 HETATM 30 Ag -3.04459 -2.34513 -2.90322 0 1 0 0.00000 HETATM 31 Ag -0.56667 -2.32914 -4.32714 0 1 0 0.00000 HETATM 32 Ag -0.56725 -2.33954 -1.46344 0 1 0 0.00000 HETATM 33 Ag 2.18418 1.44823 -1.46520 0 1 0 0.00000 HETATM 34 Ag 1.42255 -3.79848 -2.91048 0 1 0 0.00000 HETATM 35 Ag 2.17832 1.44352 -4.33281 0 1 0 0.00000 HETATM 36 Ag 0.20403 0.00007 -2.91599 0 1 0 0.00000 HETATM 37 Ag 2.17834 -1.44343 -4.33287 0 1 0 0.00000 HETATM 38 Ag 0.20025 0.00010 -5.73935 0 1 0 0.00000 HETATM 39 Ag 4.15177 2.88034 -2.83561 0 1 0 0.00000 HETATM 40 Ag -2.24414 0.00001 -1.47741 0 1 0 0.00000 HETATM 41 Ag -3.04456 2.34524 -2.90321 0 1 0 0.00000 HETATM 42 Ag -1.33123 4.65194 2.83239 0 1 0 0.00000 HETATM 43 Ag -0.56728 2.33961 1.46343 0 1 0 0.00000 HETATM 44 Ag -4.70677 -0.00015 2.87140 0 1 0 0.00000 HETATM 45 Ag -2.24415 -0.00002 1.47741 0 1 0 0.00000 HETATM 46 Ag -1.34541 4.69396 0.00003 0 1 0 0.00000 HETATM 47 Ag -3.04466 2.34509 2.90328 0 1 0 0.00000 HETATM 48 Ag -0.56673 2.32910 4.32719 0 1 0 0.00000 HETATM 49 Ag -2.24772 -0.00005 4.33773 0 1 0 0.00000 HETATM 50 Ag -3.79408 4.60894 1.40849 0 1 0 0.00000 HETATM 51 Ag -3.79398 4.60905 -1.40843 0 1 0 0.00000 HETATM 52 Ag -7.07290 -0.00015 1.37119 0 1 0 0.00000 HETATM 53 Ag -4.65939 0.00001 -0.00005 0 1 0 0.00000 HETATM 54 Ag -3.00687 2.32726 -0.00000 0 1 0 0.00000 HETATM 55 Ag -5.47637 2.32197 1.40766 0 1 0 0.00000 HETATM 56 Ag -5.47634 -2.32220 1.40763 0 1 0 0.00000 HETATM 57 Ag -5.47633 -2.32200 -1.40774 0 1 0 0.00000 HETATM 58 Ag -7.07287 0.00008 -1.37118 0 1 0 0.00000 HETATM 59 Ag -4.70683 0.00008 -2.87142 0 1 0 0.00000 HETATM 60 Ag -5.47627 2.32216 -1.40768 0 1 0 0.00000 HETATM 61 Ag 0.67804 6.06590 1.40853 0 1 0 0.00000 HETATM 62 Ag 1.42243 3.79847 2.91046 0 1 0 0.00000 HETATM 63 Ag -3.04456 -2.34518 2.90320 0 1 0 0.00000 HETATM 64 Ag 0.20403 -0.00006 2.91603 0 1 0 0.00000 HETATM 65 Ag 0.20015 -0.00004 5.73928 0 1 0 0.00000 HETATM 66 Ag 2.17827 1.44343 4.33289 0 1 0 0.00000 HETATM 67 Ag -2.24774 0.00008 -4.33768 0 1 0 0.00000 HETATM 68 Ag -1.33116 4.65202 -2.83235 0 1 0 0.00000 HETATM 69 Ag -0.56665 2.32932 -4.32712 0 1 0 0.00000 HETATM 70 Ag -0.56725 2.33963 -1.46337 0 1 0 0.00000 HETATM 71 Ag 0.67811 6.06592 -1.40830 0 1 0 0.00000 HETATM 72 Ag 1.40885 3.75702 0.00002 0 1 0 0.00000 HETATM 73 Ag 3.35231 5.20242 -1.40853 0 1 0 0.00000 HETATM 74 Ag 3.35225 5.20240 1.40862 0 1 0 0.00000 HETATM 75 Ag 1.42253 3.79854 -2.91036 0 1 0 0.00000 HETATM 76 Ag 2.18410 1.44826 1.46526 0 1 0 0.00000 HETATM 77 Ag 4.15175 2.88036 2.83568 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 4 3 6 7 17 14 ORDER 1 1 1 1 1 1 1 CONECT 2 4 3 19 ORDER 2 1 1 1 CONECT 3 37 34 2 27 1 17 ORDER 3 1 1 1 1 1 1 CONECT 4 37 35 2 33 1 6 ORDER 4 1 1 1 1 1 1 CONECT 5 39 73 6 8 74 77 ORDER 5 1 1 1 1 1 1 CONECT 6 4 39 1 7 5 8 ORDER 6 1 1 1 1 1 1 CONECT 7 33 1 6 14 8 11 ORDER 7 1 1 1 1 1 1 CONECT 8 6 7 5 14 77 9 ORDER 8 1 1 1 1 1 1 CONECT 9 14 8 11 76 10 66 ORDER 9 1 1 1 1 1 1 CONECT 10 15 9 20 64 65 ORDER 10 1 1 1 1 1 CONECT 11 7 19 15 9 ORDER 11 1 1 1 1 CONECT 12 21 28 18 20 16 ORDER 12 1 1 1 1 1 CONECT 13 22 25 21 56 18 63 ORDER 13 1 1 1 1 1 1 CONECT 14 1 7 17 8 15 9 ORDER 14 1 1 1 1 1 1 CONECT 15 17 14 26 11 20 10 ORDER 15 1 1 1 1 1 1 CONECT 16 12 18 63 20 64 65 ORDER 16 1 1 1 1 1 1 CONECT 17 3 27 1 14 26 15 ORDER 17 1 1 1 1 1 1 CONECT 18 25 23 13 12 63 16 ORDER 18 1 1 1 1 1 1 CONECT 19 40 2 33 11 76 45 ORDER 19 1 1 1 1 1 1 CONECT 20 23 26 12 15 16 10 ORDER 20 1 1 1 1 1 1 CONECT 21 32 22 57 56 13 12 ORDER 21 1 1 1 1 1 1 CONECT 22 30 24 57 25 21 13 ORDER 22 1 1 1 1 1 1 CONECT 23 29 25 28 26 18 20 ORDER 23 1 1 1 1 1 1 CONECT 24 31 32 29 22 25 ORDER 24 1 1 1 1 1 CONECT 25 24 29 22 23 13 18 ORDER 25 1 1 1 1 1 1 CONECT 26 27 17 28 23 15 20 ORDER 26 1 1 1 1 1 1 CONECT 27 34 3 29 17 28 26 ORDER 27 1 1 1 1 1 1 CONECT 28 32 27 29 23 26 12 ORDER 28 1 1 1 1 1 1 CONECT 29 34 24 27 25 28 23 ORDER 29 1 1 1 1 1 1 CONECT 30 67 31 40 22 ORDER 30 1 1 1 1 CONECT 31 38 36 34 30 24 32 ORDER 31 1 1 1 1 1 1 CONECT 32 31 34 24 21 28 ORDER 32 1 1 1 1 1 CONECT 33 4 39 7 19 ORDER 33 1 1 1 1 CONECT 34 37 31 3 32 27 29 ORDER 34 1 1 1 1 1 1 CONECT 35 38 36 75 4 39 ORDER 35 1 1 1 1 1 CONECT 36 38 67 37 35 31 69 ORDER 36 1 1 1 1 1 1 CONECT 37 38 36 34 4 3 ORDER 37 1 1 1 1 1 CONECT 38 67 37 35 31 69 36 ORDER 38 1 1 1 1 1 1 CONECT 39 35 75 33 73 6 5 ORDER 39 1 1 1 1 1 1 CONECT 40 30 41 59 53 19 ORDER 40 1 1 1 1 1 CONECT 41 67 69 40 70 51 60 ORDER 41 1 1 1 1 1 1 CONECT 42 46 50 61 43 47 48 ORDER 42 1 1 1 1 1 1 CONECT 43 54 72 42 62 48 ORDER 43 1 1 1 1 1 CONECT 44 52 56 55 45 49 ORDER 44 1 1 1 1 1 CONECT 45 53 19 44 63 47 ORDER 45 1 1 1 1 1 CONECT 46 68 51 71 50 61 42 ORDER 46 1 1 1 1 1 1 CONECT 47 50 45 42 48 49 ORDER 47 1 1 1 1 1 CONECT 48 43 42 47 62 64 65 ORDER 48 1 1 1 1 1 1 CONECT 49 44 63 47 64 65 ORDER 49 1 1 1 1 1 CONECT 50 51 54 46 55 42 47 ORDER 50 1 1 1 1 1 1 CONECT 51 41 68 60 54 46 50 ORDER 51 1 1 1 1 1 1 CONECT 52 58 53 56 55 44 ORDER 52 1 1 1 1 1 CONECT 53 40 57 58 52 55 45 ORDER 53 1 1 1 1 1 1 CONECT 54 70 51 60 55 50 43 ORDER 54 1 1 1 1 1 1 CONECT 55 60 53 54 52 50 44 ORDER 55 1 1 1 1 1 1 CONECT 56 57 21 52 13 44 63 ORDER 56 1 1 1 1 1 1 CONECT 57 59 22 58 53 21 56 ORDER 57 1 1 1 1 1 1 CONECT 58 59 57 60 53 52 ORDER 58 1 1 1 1 1 CONECT 59 67 40 57 60 58 ORDER 59 1 1 1 1 1 CONECT 60 41 59 51 58 54 55 ORDER 60 1 1 1 1 1 1 CONECT 61 71 72 46 74 42 62 ORDER 61 1 1 1 1 1 1 CONECT 62 61 74 43 76 48 66 ORDER 62 1 1 1 1 1 1 CONECT 63 56 13 45 18 16 49 ORDER 63 1 1 1 1 1 1 CONECT 64 16 48 10 66 49 65 ORDER 64 1 1 1 1 1 1 CONECT 65 64 16 48 10 66 49 ORDER 65 1 1 1 1 1 1 CONECT 66 76 77 9 62 64 65 ORDER 66 1 1 1 1 1 1 CONECT 67 38 36 30 41 59 ORDER 67 1 1 1 1 1 CONECT 68 69 70 51 71 46 ORDER 68 1 1 1 1 1 CONECT 69 38 36 75 41 68 70 ORDER 69 1 1 1 1 1 1 CONECT 70 69 75 41 68 54 72 ORDER 70 1 1 1 1 1 1 CONECT 71 75 68 73 72 46 61 ORDER 71 1 1 1 1 1 1 CONECT 72 70 73 71 61 74 43 ORDER 72 1 1 1 1 1 1 CONECT 73 75 39 71 72 5 74 ORDER 73 1 1 1 1 1 1 CONECT 74 73 72 5 61 77 62 ORDER 74 1 1 1 1 1 1 CONECT 75 35 69 39 70 73 71 ORDER 75 1 1 1 1 1 1 CONECT 76 19 77 9 62 66 ORDER 76 1 1 1 1 1 CONECT 77 5 8 74 76 66 ORDER 77 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3522756.43 END BIOGRF 200 DESCRP S_9785 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -2.44387 -0.65980 4.33167 0 1 0 0.00000 HETATM 2 Ag -2.45345 -0.67243 1.46065 0 1 0 0.00000 HETATM 3 Ag -5.37326 3.21609 1.40801 0 1 0 0.00000 HETATM 4 Ag -6.19824 0.53172 1.40790 0 1 0 0.00000 HETATM 5 Ag -3.93785 1.30841 2.90810 0 1 0 0.00000 HETATM 6 Ag -4.75420 -1.44430 2.84244 0 1 0 0.00000 HETATM 7 Ag -3.89786 1.29176 0.00002 0 1 0 0.00000 HETATM 8 Ag -1.59896 2.10054 4.33261 0 1 0 0.00000 HETATM 9 Ag -1.60405 2.10407 1.46481 0 1 0 0.00000 HETATM 10 Ag -1.60412 2.10415 -1.46475 0 1 0 0.00000 HETATM 11 Ag -1.62207 6.03906 1.40819 0 1 0 0.00000 HETATM 12 Ag -3.08866 4.08268 0.00008 0 1 0 0.00000 HETATM 13 Ag -3.06503 4.05232 2.83524 0 1 0 0.00000 HETATM 14 Ag -6.19835 0.53173 -1.40790 0 1 0 0.00000 HETATM 15 Ag -5.37324 3.21607 -1.40798 0 1 0 0.00000 HETATM 16 Ag -0.18808 4.13081 -2.90934 0 1 0 0.00000 HETATM 17 Ag -1.62209 6.03906 -1.40822 0 1 0 0.00000 HETATM 18 Ag 1.18743 6.08134 -1.40823 0 1 0 0.00000 HETATM 19 Ag -3.06507 4.05237 -2.83516 0 1 0 0.00000 HETATM 20 Ag -0.18736 4.08692 0.00005 0 1 0 0.00000 HETATM 21 Ag -0.13320 0.14032 -0.00000 0 1 0 0.00000 HETATM 22 Ag -0.18797 4.13077 2.90941 0 1 0 0.00000 HETATM 23 Ag 2.28615 -3.04809 2.90104 0 1 0 0.00000 HETATM 24 Ag -0.13612 0.14010 2.91408 0 1 0 0.00000 HETATM 25 Ag 3.65769 1.43390 2.90218 0 1 0 0.00000 HETATM 26 Ag 1.28709 2.15283 1.46312 0 1 0 0.00000 HETATM 27 Ag 5.97702 0.70117 -1.40738 0 1 0 0.00000 HETATM 28 Ag 3.61631 1.42748 -0.00004 0 1 0 0.00000 HETATM 29 Ag 5.97698 0.70112 1.40728 0 1 0 0.00000 HETATM 30 Ag 6.82383 -1.98610 1.37094 0 1 0 0.00000 HETATM 31 Ag 2.20397 -0.57530 1.47680 0 1 0 0.00000 HETATM 32 Ag 4.56130 -1.29353 2.87086 0 1 0 0.00000 HETATM 33 Ag 5.03701 3.37969 1.40821 0 1 0 0.00000 HETATM 34 Ag 2.20977 -0.57439 4.33731 0 1 0 0.00000 HETATM 35 Ag -0.13068 0.14118 5.73878 0 1 0 0.00000 HETATM 36 Ag -0.07912 -2.30953 4.32578 0 1 0 0.00000 HETATM 37 Ag 5.03701 3.37968 -1.40830 0 1 0 0.00000 HETATM 38 Ag 2.72019 4.17660 -0.00000 0 1 0 0.00000 HETATM 39 Ag 1.18755 6.08135 1.40819 0 1 0 0.00000 HETATM 40 Ag 2.69456 4.14094 2.83207 0 1 0 0.00000 HETATM 41 Ag 2.69445 4.14100 -2.83206 0 1 0 0.00000 HETATM 42 Ag 1.28706 2.15286 -1.46304 0 1 0 0.00000 HETATM 43 Ag 1.28342 2.14324 4.32588 0 1 0 0.00000 HETATM 44 Ag -2.41247 -3.13499 -2.91231 0 1 0 0.00000 HETATM 45 Ag -0.08975 -2.32534 -1.45872 0 1 0 0.00000 HETATM 46 Ag 2.20394 -0.57527 -1.47684 0 1 0 0.00000 HETATM 47 Ag 3.65761 1.43390 -2.90225 0 1 0 0.00000 HETATM 48 Ag 2.20972 -0.57436 -4.33736 0 1 0 0.00000 HETATM 49 Ag 2.34305 -5.43558 1.40793 0 1 0 0.00000 HETATM 50 Ag 4.56125 -1.29345 -2.87099 0 1 0 0.00000 HETATM 51 Ag 6.82382 -1.98614 -1.37103 0 1 0 0.00000 HETATM 52 Ag 2.25263 -3.02342 -0.00005 0 1 0 0.00000 HETATM 53 Ag -0.01577 -4.75283 -2.83910 0 1 0 0.00000 HETATM 54 Ag 2.34306 -5.43558 -1.40796 0 1 0 0.00000 HETATM 55 Ag 4.61814 -3.73947 -1.40726 0 1 0 0.00000 HETATM 56 Ag 2.28614 -3.04813 -2.90101 0 1 0 0.00000 HETATM 57 Ag -0.07918 -2.30954 -4.32573 0 1 0 0.00000 HETATM 58 Ag 4.51481 -1.28049 -0.00003 0 1 0 0.00000 HETATM 59 Ag 4.61821 -3.73943 1.40730 0 1 0 0.00000 HETATM 60 Ag -2.35312 -5.55186 -1.43571 0 1 0 0.00000 HETATM 61 Ag -2.35312 -5.55185 1.43576 0 1 0 0.00000 HETATM 62 Ag -2.41010 -3.13223 0.00002 0 1 0 0.00000 HETATM 63 Ag -4.59181 -6.25748 -0.00003 0 1 0 0.00000 HETATM 64 Ag -2.41249 -3.13491 2.91227 0 1 0 0.00000 HETATM 65 Ag -0.08972 -2.32534 1.45878 0 1 0 0.00000 HETATM 66 Ag -0.01580 -4.75288 2.83911 0 1 0 0.00000 HETATM 67 Ag -0.02577 -4.80396 -0.00002 0 1 0 0.00000 HETATM 68 Ag -4.79428 -1.47063 -0.00002 0 1 0 0.00000 HETATM 69 Ag -4.75423 -1.44425 -2.84248 0 1 0 0.00000 HETATM 70 Ag -4.70139 -3.91286 1.43589 0 1 0 0.00000 HETATM 71 Ag -3.93782 1.30846 -2.90806 0 1 0 0.00000 HETATM 72 Ag -2.45346 -0.67236 -1.46067 0 1 0 0.00000 HETATM 73 Ag -4.70145 -3.91285 -1.43590 0 1 0 0.00000 HETATM 74 Ag -2.44391 -0.65977 -4.33157 0 1 0 0.00000 HETATM 75 Ag -0.13612 0.14004 -2.91401 0 1 0 0.00000 HETATM 76 Ag -0.13082 0.14120 -5.73883 0 1 0 0.00000 HETATM 77 Ag 1.28338 2.14329 -4.32584 0 1 0 0.00000 HETATM 78 Ag -1.59902 2.10049 -4.33258 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 6 5 64 24 35 ORDER 1 1 1 1 1 1 CONECT 2 21 6 64 ORDER 2 1 1 1 CONECT 3 15 7 12 4 13 5 ORDER 3 1 1 1 1 1 1 CONECT 4 14 68 7 3 6 5 ORDER 4 1 1 1 1 1 1 CONECT 5 4 3 9 6 1 8 ORDER 5 1 1 1 1 1 1 CONECT 6 68 4 70 2 5 1 ORDER 6 1 1 1 1 1 1 CONECT 7 10 15 14 4 3 9 ORDER 7 1 1 1 1 1 1 CONECT 8 13 5 22 24 35 ORDER 8 1 1 1 1 1 CONECT 9 21 7 13 5 ORDER 9 1 1 1 1 CONECT 10 71 19 21 7 ORDER 10 1 1 1 1 CONECT 11 17 20 12 39 13 22 ORDER 11 1 1 1 1 1 1 CONECT 12 19 17 15 3 11 13 ORDER 12 1 1 1 1 1 1 CONECT 13 12 3 11 9 22 8 ORDER 13 1 1 1 1 1 1 CONECT 14 71 69 15 68 7 4 ORDER 14 1 1 1 1 1 1 CONECT 15 71 19 14 7 12 3 ORDER 15 1 1 1 1 1 1 CONECT 16 78 77 19 42 18 17 ORDER 16 1 1 1 1 1 1 CONECT 17 16 19 18 20 12 11 ORDER 17 1 1 1 1 1 1 CONECT 18 16 41 17 38 20 39 ORDER 18 1 1 1 1 1 1 CONECT 19 78 16 10 17 15 12 ORDER 19 1 1 1 1 1 1 CONECT 20 42 18 17 39 11 26 ORDER 20 1 1 1 1 1 1 CONECT 21 46 10 72 2 9 31 ORDER 21 1 1 1 1 1 1 CONECT 22 39 11 26 13 43 8 ORDER 22 1 1 1 1 1 1 CONECT 23 49 31 66 36 34 ORDER 23 1 1 1 1 1 CONECT 24 36 43 1 8 34 35 ORDER 24 1 1 1 1 1 1 CONECT 25 33 26 31 43 34 ORDER 25 1 1 1 1 1 CONECT 26 28 20 40 25 22 43 ORDER 26 1 1 1 1 1 1 CONECT 27 50 37 51 28 29 ORDER 27 1 1 1 1 1 CONECT 28 42 37 27 29 33 26 ORDER 28 1 1 1 1 1 1 CONECT 29 27 28 30 33 32 ORDER 29 1 1 1 1 1 CONECT 30 51 58 29 59 32 ORDER 30 1 1 1 1 1 CONECT 31 58 21 32 23 25 ORDER 31 1 1 1 1 1 CONECT 32 30 29 59 31 34 ORDER 32 1 1 1 1 1 CONECT 33 37 28 38 29 40 25 ORDER 33 1 1 1 1 1 1 CONECT 34 32 23 25 24 35 ORDER 34 1 1 1 1 1 CONECT 35 24 36 43 1 8 34 ORDER 35 1 1 1 1 1 1 CONECT 36 65 66 23 64 24 35 ORDER 36 1 1 1 1 1 1 CONECT 37 47 41 27 28 38 33 ORDER 37 1 1 1 1 1 1 CONECT 38 41 37 18 39 33 40 ORDER 38 1 1 1 1 1 1 CONECT 39 18 38 20 11 40 22 ORDER 39 1 1 1 1 1 1 CONECT 40 38 39 33 26 43 ORDER 40 1 1 1 1 1 CONECT 41 77 47 42 37 18 38 ORDER 41 1 1 1 1 1 1 CONECT 42 77 16 41 28 20 ORDER 42 1 1 1 1 1 CONECT 43 26 40 25 22 24 35 ORDER 43 1 1 1 1 1 1 CONECT 44 74 57 72 45 73 60 ORDER 44 1 1 1 1 1 1 CONECT 45 57 44 53 52 62 ORDER 45 1 1 1 1 1 CONECT 46 56 50 58 21 ORDER 46 1 1 1 1 CONECT 47 48 77 41 37 ORDER 47 1 1 1 1 CONECT 48 76 75 47 56 50 ORDER 48 1 1 1 1 1 CONECT 49 54 52 67 59 66 23 ORDER 49 1 1 1 1 1 1 CONECT 50 48 46 27 55 51 ORDER 50 1 1 1 1 1 CONECT 51 50 27 55 58 30 ORDER 51 1 1 1 1 1 CONECT 52 45 54 55 59 49 65 ORDER 52 1 1 1 1 1 1 CONECT 53 57 56 45 60 54 67 ORDER 53 1 1 1 1 1 1 CONECT 54 56 53 55 52 67 49 ORDER 54 1 1 1 1 1 1 CONECT 55 50 54 51 52 58 59 ORDER 55 1 1 1 1 1 1 CONECT 56 48 57 53 46 54 ORDER 56 1 1 1 1 1 CONECT 57 76 75 44 56 53 45 ORDER 57 1 1 1 1 1 1 CONECT 58 46 55 51 30 59 31 ORDER 58 1 1 1 1 1 1 CONECT 59 55 52 58 30 49 32 ORDER 59 1 1 1 1 1 1 CONECT 60 44 53 73 63 67 62 ORDER 60 1 1 1 1 1 1 CONECT 61 63 67 62 70 66 64 ORDER 61 1 1 1 1 1 1 CONECT 62 45 73 60 61 70 65 ORDER 62 1 1 1 1 1 1 CONECT 63 73 60 61 70 ORDER 63 1 1 1 1 CONECT 64 61 70 65 2 36 1 ORDER 64 1 1 1 1 1 1 CONECT 65 52 62 66 64 36 ORDER 65 1 1 1 1 1 CONECT 66 67 49 61 65 23 36 ORDER 66 1 1 1 1 1 1 CONECT 67 53 60 54 49 61 66 ORDER 67 1 1 1 1 1 1 CONECT 68 69 73 14 4 70 6 ORDER 68 1 1 1 1 1 1 CONECT 69 74 72 73 14 68 ORDER 69 1 1 1 1 1 CONECT 70 63 68 62 61 6 64 ORDER 70 1 1 1 1 1 1 CONECT 71 78 74 10 72 15 14 ORDER 71 1 1 1 1 1 1 CONECT 72 74 44 71 69 21 ORDER 72 1 1 1 1 1 CONECT 73 44 69 60 63 68 62 ORDER 73 1 1 1 1 1 1 CONECT 74 76 75 44 71 69 72 ORDER 74 1 1 1 1 1 1 CONECT 75 76 48 78 74 77 57 ORDER 75 1 1 1 1 1 1 CONECT 76 48 78 74 77 57 75 ORDER 76 1 1 1 1 1 1 CONECT 77 76 75 16 47 41 42 ORDER 77 1 1 1 1 1 1 CONECT 78 76 75 16 71 19 ORDER 78 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3568505.04 END BIOGRF 200 DESCRP S_10025 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 3.20650 -5.41325 -1.32430 0 1 0 0.00000 HETATM 2 Ag -1.91216 0.19931 -4.36697 0 1 0 0.00000 HETATM 3 Ag -1.38885 -4.50952 -2.83392 0 1 0 0.00000 HETATM 4 Ag 1.42043 -3.86978 -2.86219 0 1 0 0.00000 HETATM 5 Ag 0.47232 -6.06585 -1.36496 0 1 0 0.00000 HETATM 6 Ag -0.41961 -2.26302 -4.32495 0 1 0 0.00000 HETATM 7 Ag -0.48339 -2.25822 -1.45469 0 1 0 0.00000 HETATM 8 Ag 6.25942 -1.83611 -1.28798 0 1 0 0.00000 HETATM 9 Ag 0.50315 -0.00035 -2.90544 0 1 0 0.00000 HETATM 10 Ag 0.55222 -0.01049 -5.73003 0 1 0 0.00000 HETATM 11 Ag -0.05392 2.37845 -4.34826 0 1 0 0.00000 HETATM 12 Ag 4.47030 -0.29831 -2.82757 0 1 0 0.00000 HETATM 13 Ag 2.60761 1.28558 -4.28683 0 1 0 0.00000 HETATM 14 Ag 4.21467 -3.16817 -2.74344 0 1 0 0.00000 HETATM 15 Ag 1.35492 -3.81490 0.04509 0 1 0 0.00000 HETATM 16 Ag 2.33947 -1.58179 -1.41372 0 1 0 0.00000 HETATM 17 Ag 2.38752 -1.59308 -4.28284 0 1 0 0.00000 HETATM 18 Ag 4.19363 -3.18127 0.09043 0 1 0 0.00000 HETATM 19 Ag -1.46787 -4.53515 0.00267 0 1 0 0.00000 HETATM 20 Ag -2.90962 -2.07052 -2.95050 0 1 0 0.00000 HETATM 21 Ag -5.36922 -1.82512 -1.54438 0 1 0 0.00000 HETATM 22 Ag -6.29581 -3.99241 -0.07870 0 1 0 0.00000 HETATM 23 Ag -3.93350 -4.27039 1.39054 0 1 0 0.00000 HETATM 24 Ag -3.88600 -4.28842 -1.46717 0 1 0 0.00000 HETATM 25 Ag -2.95949 -2.05564 -0.03554 0 1 0 0.00000 HETATM 26 Ag -1.97330 0.20495 -1.50367 0 1 0 0.00000 HETATM 27 Ag -4.42448 0.41914 -0.07410 0 1 0 0.00000 HETATM 28 Ag -4.38676 0.43401 -2.95478 0 1 0 0.00000 HETATM 29 Ag -6.81128 0.64431 -1.50836 0 1 0 0.00000 HETATM 30 Ag -6.85625 0.66265 1.27752 0 1 0 0.00000 HETATM 31 Ag -7.73939 -1.58275 -0.11616 0 1 0 0.00000 HETATM 32 Ag -2.53896 2.61534 -2.95011 0 1 0 0.00000 HETATM 33 Ag -4.98871 2.81294 -1.50419 0 1 0 0.00000 HETATM 34 Ag 4.65860 2.58032 -2.75969 0 1 0 0.00000 HETATM 35 Ag -0.65953 4.76479 -2.89760 0 1 0 0.00000 HETATM 36 Ag -0.09170 2.38881 -1.48533 0 1 0 0.00000 HETATM 37 Ag 2.56850 1.31018 -1.41866 0 1 0 0.00000 HETATM 38 Ag 2.00856 3.70271 -2.89122 0 1 0 0.00000 HETATM 39 Ag 6.21140 -1.83304 1.52646 0 1 0 0.00000 HETATM 40 Ag 2.28722 -1.57399 1.51545 0 1 0 0.00000 HETATM 41 Ag 3.15506 -5.40120 1.49078 0 1 0 0.00000 HETATM 42 Ag 0.42117 -6.05134 1.45044 0 1 0 0.00000 HETATM 43 Ag 4.37697 -0.27986 0.08109 0 1 0 0.00000 HETATM 44 Ag 6.46845 0.97132 -1.29387 0 1 0 0.00000 HETATM 45 Ag 6.42692 0.97134 1.51583 0 1 0 0.00000 HETATM 46 Ag 1.39802 6.04211 -1.42559 0 1 0 0.00000 HETATM 47 Ag -3.11697 4.95884 -1.47456 0 1 0 0.00000 HETATM 48 Ag -0.69086 4.75077 -0.07139 0 1 0 0.00000 HETATM 49 Ag -1.26377 7.05674 1.23060 0 1 0 0.00000 HETATM 50 Ag 1.33874 6.07179 1.38420 0 1 0 0.00000 HETATM 51 Ag 3.99709 4.94737 -1.39178 0 1 0 0.00000 HETATM 52 Ag 1.98278 3.69490 0.02913 0 1 0 0.00000 HETATM 53 Ag -3.00669 -2.03369 2.88018 0 1 0 0.00000 HETATM 54 Ag 1.94132 3.73239 2.88964 0 1 0 0.00000 HETATM 55 Ag 0.35783 0.05966 5.74787 0 1 0 0.00000 HETATM 56 Ag 0.40037 0.03094 2.92383 0 1 0 0.00000 HETATM 57 Ag -2.05530 0.25600 4.30319 0 1 0 0.00000 HETATM 58 Ag 0.44630 0.01317 0.00822 0 1 0 0.00000 HETATM 59 Ag -1.48666 -4.47740 2.84124 0 1 0 0.00000 HETATM 60 Ag -5.41767 -1.80658 1.39113 0 1 0 0.00000 HETATM 61 Ag -2.02181 0.22316 1.43798 0 1 0 0.00000 HETATM 62 Ag 2.51018 1.30387 1.49774 0 1 0 0.00000 HETATM 63 Ag 4.55516 2.56178 2.89631 0 1 0 0.00000 HETATM 64 Ag 2.23558 -1.54832 4.38359 0 1 0 0.00000 HETATM 65 Ag 1.31824 -3.84243 2.95672 0 1 0 0.00000 HETATM 66 Ag -0.53360 -2.24288 1.46698 0 1 0 0.00000 HETATM 67 Ag -0.56801 -2.21335 4.33943 0 1 0 0.00000 HETATM 68 Ag 2.46240 1.33328 4.36126 0 1 0 0.00000 HETATM 69 Ag 4.11458 -3.14795 2.92536 0 1 0 0.00000 HETATM 70 Ag 4.63915 2.62696 0.08008 0 1 0 0.00000 HETATM 71 Ag -4.48073 0.47037 2.80629 0 1 0 0.00000 HETATM 72 Ag -0.17909 2.43583 4.30635 0 1 0 0.00000 HETATM 73 Ag -3.16113 4.99771 1.33444 0 1 0 0.00000 HETATM 74 Ag -2.56600 2.59634 -0.05370 0 1 0 0.00000 HETATM 75 Ag -0.14094 2.41298 1.45026 0 1 0 0.00000 HETATM 76 Ag -5.03213 2.83023 1.31095 0 1 0 0.00000 HETATM 77 Ag -2.62875 2.65071 2.84067 0 1 0 0.00000 HETATM 78 Ag 4.37211 -0.28334 2.99047 0 1 0 0.00000 HETATM 79 Ag -0.73494 4.81584 2.80875 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 4 14 5 15 18 41 ORDER 1 1 1 1 1 1 1 CONECT 2 10 28 20 9 26 ORDER 2 1 1 1 1 1 CONECT 3 6 24 7 5 19 ORDER 3 1 1 1 1 1 CONECT 4 6 17 16 5 1 ORDER 4 1 1 1 1 1 CONECT 5 4 3 1 19 15 42 ORDER 5 1 1 1 1 1 1 CONECT 6 10 20 9 4 3 ORDER 6 1 1 1 1 1 CONECT 7 20 3 25 58 15 ORDER 7 1 1 1 1 1 CONECT 8 12 14 44 43 18 39 ORDER 8 1 1 1 1 1 1 CONECT 9 10 2 11 6 13 17 ORDER 9 1 1 1 1 1 1 CONECT 10 2 11 6 13 17 9 ORDER 10 1 1 1 1 1 1 CONECT 11 10 32 9 35 38 36 ORDER 11 1 1 1 1 1 1 CONECT 12 13 17 37 16 44 8 ORDER 12 1 1 1 1 1 1 CONECT 13 10 9 38 12 34 ORDER 13 1 1 1 1 1 CONECT 14 17 16 1 8 18 ORDER 14 1 1 1 1 1 CONECT 15 7 5 1 42 41 40 ORDER 15 1 1 1 1 1 1 CONECT 16 17 4 12 14 58 ORDER 16 1 1 1 1 1 CONECT 17 10 9 4 12 14 16 ORDER 17 1 1 1 1 1 1 CONECT 18 14 1 8 41 39 69 ORDER 18 1 1 1 1 1 1 CONECT 19 3 24 5 23 42 59 ORDER 19 1 1 1 1 1 1 CONECT 20 2 6 21 26 24 7 ORDER 20 1 1 1 1 1 1 CONECT 21 28 20 31 22 27 25 ORDER 21 1 1 1 1 1 1 CONECT 22 21 24 31 23 60 ORDER 22 1 1 1 1 1 CONECT 23 24 22 25 19 59 53 ORDER 23 1 1 1 1 1 1 CONECT 24 20 3 22 25 19 23 ORDER 24 1 1 1 1 1 1 CONECT 25 21 24 7 23 60 66 ORDER 25 1 1 1 1 1 1 CONECT 26 2 28 20 74 58 ORDER 26 1 1 1 1 1 CONECT 27 21 29 33 30 60 61 ORDER 27 1 1 1 1 1 1 CONECT 28 2 32 21 29 33 26 ORDER 28 1 1 1 1 1 1 CONECT 29 28 33 31 27 30 ORDER 29 1 1 1 1 1 CONECT 30 29 31 27 76 71 ORDER 30 1 1 1 1 1 CONECT 31 21 29 22 30 60 ORDER 31 1 1 1 1 1 CONECT 32 11 28 35 36 47 ORDER 32 1 1 1 1 1 CONECT 33 28 29 47 27 74 76 ORDER 33 1 1 1 1 1 1 CONECT 34 13 37 51 44 70 ORDER 34 1 1 1 1 1 CONECT 35 11 32 36 47 46 48 ORDER 35 1 1 1 1 1 1 CONECT 36 11 32 35 38 48 58 ORDER 36 1 1 1 1 1 1 CONECT 37 38 12 34 52 43 ORDER 37 1 1 1 1 1 CONECT 38 11 13 36 46 37 51 ORDER 38 1 1 1 1 1 1 CONECT 39 8 43 18 45 69 78 ORDER 39 1 1 1 1 1 1 CONECT 40 15 69 65 ORDER 40 1 1 1 CONECT 41 1 15 18 42 69 65 ORDER 41 1 1 1 1 1 1 CONECT 42 5 19 15 41 59 65 ORDER 42 1 1 1 1 1 1 CONECT 43 37 44 8 62 45 39 ORDER 43 1 1 1 1 1 1 CONECT 44 12 34 8 70 43 45 ORDER 44 1 1 1 1 1 1 CONECT 45 44 70 43 39 63 78 ORDER 45 1 1 1 1 1 1 CONECT 46 35 38 51 48 52 50 ORDER 46 1 1 1 1 1 1 CONECT 47 32 35 33 48 74 73 ORDER 47 1 1 1 1 1 1 CONECT 48 35 36 47 46 49 50 ORDER 48 1 1 1 1 1 1 CONECT 49 48 73 50 79 ORDER 49 1 1 1 1 CONECT 50 46 48 52 49 79 54 ORDER 50 1 1 1 1 1 1 CONECT 51 38 34 46 52 70 ORDER 51 1 1 1 1 1 CONECT 52 46 37 51 50 75 62 ORDER 52 1 1 1 1 1 1 CONECT 53 23 60 61 66 57 67 ORDER 53 1 1 1 1 1 1 CONECT 54 50 75 62 63 72 68 ORDER 54 1 1 1 1 1 1 CONECT 55 56 57 72 67 68 64 ORDER 55 1 1 1 1 1 1 CONECT 56 57 72 67 68 64 55 ORDER 56 1 1 1 1 1 1 CONECT 57 61 71 77 53 56 55 ORDER 57 1 1 1 1 1 1 CONECT 58 26 36 7 16 66 62 ORDER 58 1 1 1 1 1 1 CONECT 59 19 23 42 66 67 ORDER 59 1 1 1 1 1 CONECT 60 31 22 27 25 71 53 ORDER 60 1 1 1 1 1 1 CONECT 61 27 74 71 53 57 ORDER 61 1 1 1 1 1 CONECT 62 58 52 43 54 63 ORDER 62 1 1 1 1 1 CONECT 63 70 62 45 54 78 68 ORDER 63 1 1 1 1 1 1 CONECT 64 56 69 65 78 55 ORDER 64 1 1 1 1 1 CONECT 65 42 66 41 40 67 64 ORDER 65 1 1 1 1 1 1 CONECT 66 25 58 59 53 65 67 ORDER 66 1 1 1 1 1 1 CONECT 67 66 59 53 56 65 55 ORDER 67 1 1 1 1 1 1 CONECT 68 54 63 56 78 72 55 ORDER 68 1 1 1 1 1 1 CONECT 69 18 41 40 39 78 64 ORDER 69 1 1 1 1 1 1 CONECT 70 34 51 44 45 63 ORDER 70 1 1 1 1 1 CONECT 71 30 76 60 61 77 57 ORDER 71 1 1 1 1 1 1 CONECT 72 75 77 54 56 68 55 ORDER 72 1 1 1 1 1 1 CONECT 73 47 74 49 76 79 77 ORDER 73 1 1 1 1 1 1 CONECT 74 33 26 47 76 73 61 ORDER 74 1 1 1 1 1 1 CONECT 75 52 79 77 54 72 ORDER 75 1 1 1 1 1 CONECT 76 33 74 30 73 71 77 ORDER 76 1 1 1 1 1 1 CONECT 77 76 73 75 71 57 72 ORDER 77 1 1 1 1 1 1 CONECT 78 45 39 63 69 68 64 ORDER 78 1 1 1 1 1 1 CONECT 79 49 73 50 75 ORDER 79 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3614256.80 END BIOGRF 200 DESCRP S_10268 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -1.24468 -0.37033 -4.71217 0 1 0 0.00000 HETATM 2 Ag -0.07391 2.15959 -3.87850 0 1 0 0.00000 HETATM 3 Ag 3.82235 1.60992 0.00007 0 1 0 0.00000 HETATM 4 Ag 1.66583 -0.07077 -4.75792 0 1 0 0.00000 HETATM 5 Ag 1.67242 -0.07834 -0.00006 0 1 0 0.00000 HETATM 6 Ag 5.61762 -1.12448 -2.36963 0 1 0 0.00000 HETATM 7 Ag 3.09725 0.08033 -2.33355 0 1 0 0.00000 HETATM 8 Ag 1.42534 2.25088 1.44732 0 1 0 0.00000 HETATM 9 Ag 3.59599 3.99755 1.46421 0 1 0 0.00000 HETATM 10 Ag 5.96580 3.28287 0.00019 0 1 0 0.00000 HETATM 11 Ag 1.42527 2.25116 -1.44694 0 1 0 0.00000 HETATM 12 Ag 4.51360 0.23586 -4.65030 0 1 0 0.00000 HETATM 13 Ag 6.35576 0.42695 -0.00006 0 1 0 0.00000 HETATM 14 Ag 2.85166 2.44085 -3.83450 0 1 0 0.00000 HETATM 15 Ag 1.11148 4.59081 -2.88261 0 1 0 0.00000 HETATM 16 Ag -1.45536 5.73469 -2.84942 0 1 0 0.00000 HETATM 17 Ag 5.30562 1.79697 -2.36922 0 1 0 0.00000 HETATM 18 Ag 3.59593 3.99788 -1.46349 0 1 0 0.00000 HETATM 19 Ag 1.11153 4.59026 2.88348 0 1 0 0.00000 HETATM 20 Ag 1.13127 4.68229 0.00041 0 1 0 0.00000 HETATM 21 Ag 2.85178 2.44008 3.83490 0 1 0 0.00000 HETATM 22 Ag 0.26193 -0.21386 -2.36950 0 1 0 0.00000 HETATM 23 Ag 3.34404 -2.26953 3.83888 0 1 0 0.00000 HETATM 24 Ag 2.16773 -4.77904 -0.00043 0 1 0 0.00000 HETATM 25 Ag 2.13419 -4.69963 2.88643 0 1 0 0.00000 HETATM 26 Ag 4.40754 -3.63183 -1.47226 0 1 0 0.00000 HETATM 27 Ag 2.13407 -4.69911 -2.88728 0 1 0 0.00000 HETATM 28 Ag 6.57430 -2.44207 -0.00040 0 1 0 0.00000 HETATM 29 Ag 1.89151 -2.39795 -1.45538 0 1 0 0.00000 HETATM 30 Ag 4.40768 -3.63212 1.47142 0 1 0 0.00000 HETATM 31 Ag 1.89161 -2.39816 1.45495 0 1 0 0.00000 HETATM 32 Ag 3.34388 -2.26875 -3.83942 0 1 0 0.00000 HETATM 33 Ag 4.12096 -1.26813 -0.00017 0 1 0 0.00000 HETATM 34 Ag 5.61772 -1.12496 2.36915 0 1 0 0.00000 HETATM 35 Ag 4.51386 0.23500 4.65013 0 1 0 0.00000 HETATM 36 Ag 3.09738 0.07990 2.33350 0 1 0 0.00000 HETATM 37 Ag 5.30574 1.79654 2.36943 0 1 0 0.00000 HETATM 38 Ag 1.66605 -0.07158 4.75792 0 1 0 0.00000 HETATM 39 Ag 0.40066 -2.61351 -3.85690 0 1 0 0.00000 HETATM 40 Ag -0.31526 -4.19755 -1.46861 0 1 0 0.00000 HETATM 41 Ag -0.31523 -4.19769 1.46813 0 1 0 0.00000 HETATM 42 Ag -0.46775 -1.77607 -0.00008 0 1 0 0.00000 HETATM 43 Ag -1.97520 -4.23756 -3.76102 0 1 0 0.00000 HETATM 44 Ag -2.70508 -5.70789 -1.44646 0 1 0 0.00000 HETATM 45 Ag -0.77966 1.05724 0.00001 0 1 0 0.00000 HETATM 46 Ag -4.64949 -0.68217 -2.36200 0 1 0 0.00000 HETATM 47 Ag -1.09784 3.43201 -1.44991 0 1 0 0.00000 HETATM 48 Ag -1.09779 3.43193 1.45017 0 1 0 0.00000 HETATM 49 Ag -2.68677 3.34654 3.79042 0 1 0 0.00000 HETATM 50 Ag -2.68713 3.34665 -3.79019 0 1 0 0.00000 HETATM 51 Ag -1.49689 5.81945 0.00000 0 1 0 0.00000 HETATM 52 Ag -3.67006 4.66863 1.45288 0 1 0 0.00000 HETATM 53 Ag -3.67021 4.66861 -1.45263 0 1 0 0.00000 HETATM 54 Ag -3.81366 0.82187 -4.64071 0 1 0 0.00000 HETATM 55 Ag -3.30041 2.28685 0.00011 0 1 0 0.00000 HETATM 56 Ag -5.80938 3.49406 0.00030 0 1 0 0.00000 HETATM 57 Ag -4.86169 2.18553 -2.34627 0 1 0 0.00000 HETATM 58 Ag -2.29601 0.96338 -2.36390 0 1 0 0.00000 HETATM 59 Ag -3.53990 -1.99853 4.62161 0 1 0 0.00000 HETATM 60 Ag -5.35136 -2.20324 0.00004 0 1 0 0.00000 HETATM 61 Ag -1.99764 -1.88367 2.33925 0 1 0 0.00000 HETATM 62 Ag -5.62520 0.67001 0.00020 0 1 0 0.00000 HETATM 63 Ag -4.32377 -3.53163 -2.33708 0 1 0 0.00000 HETATM 64 Ag -4.64934 -0.68224 2.36213 0 1 0 0.00000 HETATM 65 Ag -2.29578 0.96313 2.36409 0 1 0 0.00000 HETATM 66 Ag -3.81318 0.82156 4.64101 0 1 0 0.00000 HETATM 67 Ag -1.24440 -0.37108 4.71215 0 1 0 0.00000 HETATM 68 Ag -4.86145 2.18541 2.34671 0 1 0 0.00000 HETATM 69 Ag -3.54003 -1.99815 -4.62158 0 1 0 0.00000 HETATM 70 Ag -1.99772 -1.88338 -2.33928 0 1 0 0.00000 HETATM 71 Ag -3.07933 -0.55448 0.00004 0 1 0 0.00000 HETATM 72 Ag -5.00565 -5.00651 -0.00007 0 1 0 0.00000 HETATM 73 Ag -4.32371 -3.53183 2.33703 0 1 0 0.00000 HETATM 74 Ag -2.73349 -3.36488 -0.00011 0 1 0 0.00000 HETATM 75 Ag -2.70505 -5.70800 1.44617 0 1 0 0.00000 HETATM 76 Ag -1.97508 -4.23789 3.76075 0 1 0 0.00000 HETATM 77 Ag 0.40096 -2.61416 3.85655 0 1 0 0.00000 HETATM 78 Ag 0.26207 -0.21417 2.36951 0 1 0 0.00000 HETATM 79 Ag -0.07383 2.15896 3.87889 0 1 0 0.00000 HETATM 80 Ag -1.45509 5.73473 2.84949 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 54 69 2 39 22 ORDER 1 1 1 1 1 1 CONECT 2 1 50 15 22 11 ORDER 2 1 1 1 1 1 CONECT 3 17 18 13 5 10 37 ORDER 3 1 1 1 1 1 1 CONECT 4 12 32 14 22 ORDER 4 1 1 1 1 CONECT 5 7 33 42 45 3 36 ORDER 5 1 1 1 1 1 1 CONECT 6 12 7 26 28 13 ORDER 6 1 1 1 1 1 CONECT 7 12 32 14 6 17 5 ORDER 7 1 1 1 1 1 1 CONECT 8 20 48 9 19 21 79 ORDER 8 1 1 1 1 1 1 CONECT 9 18 10 8 37 19 21 ORDER 9 1 1 1 1 1 1 CONECT 10 17 18 13 3 9 37 ORDER 10 1 1 1 1 1 1 CONECT 11 2 14 15 18 47 20 ORDER 11 1 1 1 1 1 1 CONECT 12 4 32 14 6 17 7 ORDER 12 1 1 1 1 1 1 CONECT 13 6 28 33 3 10 34 ORDER 13 1 1 1 1 1 1 CONECT 14 4 12 17 7 11 ORDER 14 1 1 1 1 1 CONECT 15 2 16 18 11 20 ORDER 15 1 1 1 1 1 CONECT 16 50 15 53 47 51 ORDER 16 1 1 1 1 1 CONECT 17 12 14 7 18 3 10 ORDER 17 1 1 1 1 1 1 CONECT 18 15 17 11 3 10 9 ORDER 18 1 1 1 1 1 1 CONECT 19 20 8 9 80 79 ORDER 19 1 1 1 1 1 CONECT 20 15 11 8 19 ORDER 20 1 1 1 1 CONECT 21 8 9 36 37 35 38 ORDER 21 1 1 1 1 1 1 CONECT 22 4 1 2 39 58 70 ORDER 22 1 1 1 1 1 1 CONECT 23 31 36 25 35 38 ORDER 23 1 1 1 1 1 CONECT 24 27 26 29 31 30 25 ORDER 24 1 1 1 1 1 1 CONECT 25 24 31 41 30 23 77 ORDER 25 1 1 1 1 1 1 CONECT 26 27 6 29 24 28 33 ORDER 26 1 1 1 1 1 1 CONECT 27 39 32 26 40 29 24 ORDER 27 1 1 1 1 1 1 CONECT 28 6 26 33 13 30 34 ORDER 28 1 1 1 1 1 1 CONECT 29 39 32 27 26 24 ORDER 29 1 1 1 1 1 CONECT 30 24 28 33 31 34 25 ORDER 30 1 1 1 1 1 1 CONECT 31 24 30 25 23 77 ORDER 31 1 1 1 1 1 CONECT 32 4 12 27 7 29 ORDER 32 1 1 1 1 1 CONECT 33 26 28 13 5 30 34 ORDER 33 1 1 1 1 1 1 CONECT 34 28 33 13 30 36 35 ORDER 34 1 1 1 1 1 1 CONECT 35 36 34 37 21 23 38 ORDER 35 1 1 1 1 1 1 CONECT 36 5 34 37 21 23 35 ORDER 36 1 1 1 1 1 1 CONECT 37 3 10 9 36 21 35 ORDER 37 1 1 1 1 1 1 CONECT 38 78 21 23 79 35 67 ORDER 38 1 1 1 1 1 1 CONECT 39 1 43 27 22 29 ORDER 39 1 1 1 1 1 CONECT 40 43 27 44 42 41 ORDER 40 1 1 1 1 1 CONECT 41 40 42 75 25 76 ORDER 41 1 1 1 1 1 CONECT 42 70 40 74 5 41 61 ORDER 42 1 1 1 1 1 1 CONECT 43 69 39 70 63 40 44 ORDER 43 1 1 1 1 1 1 CONECT 44 43 63 40 74 72 75 ORDER 44 1 1 1 1 1 1 CONECT 45 58 47 5 71 55 48 ORDER 45 1 1 1 1 1 1 CONECT 46 54 69 57 71 ORDER 46 1 1 1 1 CONECT 47 50 16 53 11 51 45 ORDER 47 1 1 1 1 1 1 CONECT 48 51 45 8 52 80 49 ORDER 48 1 1 1 1 1 1 CONECT 49 48 52 68 65 80 79 ORDER 49 1 1 1 1 1 1 CONECT 50 2 16 58 57 53 47 ORDER 50 1 1 1 1 1 1 CONECT 51 16 53 47 48 52 80 ORDER 51 1 1 1 1 1 1 CONECT 52 51 55 56 48 80 49 ORDER 52 1 1 1 1 1 1 CONECT 53 50 16 47 51 55 56 ORDER 53 1 1 1 1 1 1 CONECT 54 1 69 58 46 57 ORDER 54 1 1 1 1 1 CONECT 55 57 53 45 56 52 68 ORDER 55 1 1 1 1 1 1 CONECT 56 57 53 55 62 52 68 ORDER 56 1 1 1 1 1 1 CONECT 57 54 50 58 46 55 56 ORDER 57 1 1 1 1 1 1 CONECT 58 54 50 22 57 70 45 ORDER 58 1 1 1 1 1 1 CONECT 59 73 61 64 76 66 67 ORDER 59 1 1 1 1 1 1 CONECT 60 72 71 62 ORDER 60 1 1 2 CONECT 61 42 73 65 78 76 59 ORDER 61 1 1 1 1 1 1 CONECT 62 71 60 56 ORDER 62 1 2 1 CONECT 63 69 43 70 44 74 72 ORDER 63 1 1 1 1 1 1 CONECT 64 71 68 65 59 66 ORDER 64 1 1 1 1 1 CONECT 65 61 68 64 78 49 66 ORDER 65 1 1 1 1 1 1 CONECT 66 68 64 65 59 67 ORDER 66 1 1 1 1 1 CONECT 67 78 77 79 59 66 38 ORDER 67 1 1 1 1 1 1 CONECT 68 55 56 64 65 49 66 ORDER 68 1 1 1 1 1 1 CONECT 69 1 54 43 46 70 63 ORDER 69 1 1 1 1 1 1 CONECT 70 69 43 22 58 63 42 ORDER 70 1 1 1 1 1 1 CONECT 71 46 74 45 60 62 64 ORDER 71 1 1 1 1 1 1 CONECT 72 63 44 74 60 75 73 ORDER 72 1 1 1 1 1 1 CONECT 73 72 75 61 76 59 ORDER 73 1 1 1 1 1 CONECT 74 63 44 42 72 71 75 ORDER 74 1 1 1 1 1 1 CONECT 75 44 74 72 41 73 76 ORDER 75 1 1 1 1 1 1 CONECT 76 75 41 73 61 77 59 ORDER 76 1 1 1 1 1 1 CONECT 77 31 78 25 76 67 ORDER 77 1 1 1 1 1 CONECT 78 61 65 77 79 67 38 ORDER 78 1 1 1 1 1 1 CONECT 79 8 78 19 49 67 38 ORDER 79 1 1 1 1 1 1 CONECT 80 51 48 52 19 49 ORDER 80 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3660021.10 END BIOGRF 200 DESCRP S_10514 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -4.34625 -3.40413 -2.33447 0 1 0 0.00000 HETATM 2 Ag -5.35890 -2.06794 -0.00002 0 1 0 0.00000 HETATM 3 Ag -4.65732 -0.54170 2.36069 0 1 0 0.00000 HETATM 4 Ag -2.63672 3.46561 3.78947 0 1 0 0.00000 HETATM 5 Ag -5.60898 0.82075 -0.00008 0 1 0 0.00000 HETATM 6 Ag -2.02525 -1.76290 2.34981 0 1 0 0.00000 HETATM 7 Ag -2.27908 1.07938 2.36299 0 1 0 0.00000 HETATM 8 Ag -3.80347 0.95915 4.63821 0 1 0 0.00000 HETATM 9 Ag -3.57398 -1.86070 4.62770 0 1 0 0.00000 HETATM 10 Ag -2.03296 -4.11376 -3.79719 0 1 0 0.00000 HETATM 11 Ag -0.38067 -4.04953 -1.51743 0 1 0 0.00000 HETATM 12 Ag -2.03301 -4.11364 3.79732 0 1 0 0.00000 HETATM 13 Ag -0.49276 -1.66738 -0.00000 0 1 0 0.00000 HETATM 14 Ag -0.38072 -4.04946 1.51759 0 1 0 0.00000 HETATM 15 Ag -2.72831 -5.62958 1.45750 0 1 0 0.00000 HETATM 16 Ag -2.72826 -5.62970 -1.45744 0 1 0 0.00000 HETATM 17 Ag -5.02977 -4.88089 0.00000 0 1 0 0.00000 HETATM 18 Ag -4.34628 -3.40413 2.33451 0 1 0 0.00000 HETATM 19 Ag -2.75258 -3.26779 0.00002 0 1 0 0.00000 HETATM 20 Ag -3.08138 -0.43633 -0.00005 0 1 0 0.00000 HETATM 21 Ag -2.02524 -1.76298 -2.34976 0 1 0 0.00000 HETATM 22 Ag -5.75605 3.65132 -0.00008 0 1 0 0.00000 HETATM 23 Ag -4.65725 -0.54177 -2.36083 0 1 0 0.00000 HETATM 24 Ag -3.57391 -1.86084 -4.62779 0 1 0 0.00000 HETATM 25 Ag -4.82866 2.33181 2.34454 0 1 0 0.00000 HETATM 26 Ag -3.26412 2.41168 -0.00009 0 1 0 0.00000 HETATM 27 Ag -1.04317 3.52999 -1.45025 0 1 0 0.00000 HETATM 28 Ag -0.75907 1.15535 -0.00007 0 1 0 0.00000 HETATM 29 Ag -3.59917 4.79881 -1.45196 0 1 0 0.00000 HETATM 30 Ag -2.63648 3.46557 -3.78964 0 1 0 0.00000 HETATM 31 Ag -0.03728 2.24546 -3.87801 0 1 0 0.00000 HETATM 32 Ag -2.27909 1.07930 -2.36304 0 1 0 0.00000 HETATM 33 Ag -1.36857 5.83538 -2.85001 0 1 0 0.00000 HETATM 34 Ag -3.59918 4.79884 1.45184 0 1 0 0.00000 HETATM 35 Ag -1.04319 3.53003 1.45016 0 1 0 0.00000 HETATM 36 Ag -1.36872 5.83540 2.85000 0 1 0 0.00000 HETATM 37 Ag -1.40913 5.92145 -0.00005 0 1 0 0.00000 HETATM 38 Ag -4.82858 2.33171 -2.34475 0 1 0 0.00000 HETATM 39 Ag 0.37778 -2.51981 -3.88230 0 1 0 0.00000 HETATM 40 Ag -1.24920 -0.26248 -4.71630 0 1 0 0.00000 HETATM 41 Ag -3.80322 0.95902 -4.63832 0 1 0 0.00000 HETATM 42 Ag 0.26418 -0.13441 -2.37220 0 1 0 0.00000 HETATM 43 Ag 3.66279 4.02357 1.46290 0 1 0 0.00000 HETATM 44 Ag 1.18476 4.65718 2.88144 0 1 0 0.00000 HETATM 45 Ag 1.67730 -0.01795 -0.00002 0 1 0 0.00000 HETATM 46 Ag 4.10600 -1.24975 0.00003 0 1 0 0.00000 HETATM 47 Ag 4.33864 -3.63180 1.46138 0 1 0 0.00000 HETATM 48 Ag 6.53183 -2.47436 0.00012 0 1 0 0.00000 HETATM 49 Ag 1.86582 -2.34189 1.45399 0 1 0 0.00000 HETATM 50 Ag 4.33870 -3.63192 -1.46107 0 1 0 0.00000 HETATM 51 Ag 2.02089 -4.76944 0.00010 0 1 0 0.00000 HETATM 52 Ag 1.86588 -2.34192 -1.45384 0 1 0 0.00000 HETATM 53 Ag -0.41642 -6.34758 0.00010 0 1 0 0.00000 HETATM 54 Ag 0.26410 -0.13435 2.37228 0 1 0 0.00000 HETATM 55 Ag 2.05445 -4.65393 2.88777 0 1 0 0.00000 HETATM 56 Ag -1.24932 -0.26222 4.71633 0 1 0 0.00000 HETATM 57 Ag 3.10299 0.11568 2.33460 0 1 0 0.00000 HETATM 58 Ag 0.37761 -2.51957 3.88239 0 1 0 0.00000 HETATM 59 Ag 4.52400 0.24675 4.64883 0 1 0 0.00000 HETATM 60 Ag 5.33997 1.79256 2.36797 0 1 0 0.00000 HETATM 61 Ag 3.31494 -2.24029 3.83852 0 1 0 0.00000 HETATM 62 Ag 5.59956 -1.13952 2.36823 0 1 0 0.00000 HETATM 63 Ag 5.59961 -1.13969 -2.36801 0 1 0 0.00000 HETATM 64 Ag 3.85286 1.63283 -0.00004 0 1 0 0.00000 HETATM 65 Ag 6.36665 0.40426 0.00001 0 1 0 0.00000 HETATM 66 Ag 1.67209 -0.00534 4.76107 0 1 0 0.00000 HETATM 67 Ag -0.03734 2.24571 3.87789 0 1 0 0.00000 HETATM 68 Ag 1.46429 2.31285 1.44751 0 1 0 0.00000 HETATM 69 Ag 6.02284 3.26896 -0.00003 0 1 0 0.00000 HETATM 70 Ag 2.89612 2.48128 3.83310 0 1 0 0.00000 HETATM 71 Ag 3.31501 -2.24047 -3.83829 0 1 0 0.00000 HETATM 72 Ag 2.05451 -4.65411 -2.88750 0 1 0 0.00000 HETATM 73 Ag 5.34009 1.79249 -2.36798 0 1 0 0.00000 HETATM 74 Ag 4.52409 0.24643 -4.64879 0 1 0 0.00000 HETATM 75 Ag 3.10307 0.11558 -2.33460 0 1 0 0.00000 HETATM 76 Ag 1.20521 4.74709 -0.00013 0 1 0 0.00000 HETATM 77 Ag 1.46430 2.31281 -1.44754 0 1 0 0.00000 HETATM 78 Ag 1.67224 -0.00555 -4.76096 0 1 0 0.00000 HETATM 79 Ag 1.18482 4.65700 -2.88168 0 1 0 0.00000 HETATM 80 Ag 3.66281 4.02345 -1.46304 0 1 0 0.00000 HETATM 81 Ag 2.89621 2.48100 -3.83321 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 24 10 21 2 17 19 ORDER 1 1 1 1 1 1 1 CONECT 2 1 20 17 18 ORDER 2 1 1 1 1 CONECT 3 20 25 9 8 ORDER 3 1 1 1 1 CONECT 4 35 34 25 7 36 67 ORDER 4 1 1 1 1 1 1 CONECT 5 23 22 20 ORDER 5 1 1 1 CONECT 6 13 18 7 54 12 9 ORDER 6 1 1 1 1 1 1 CONECT 7 28 25 6 54 4 8 ORDER 7 1 1 1 1 1 1 CONECT 8 25 3 7 9 56 ORDER 8 1 1 1 1 1 CONECT 9 18 6 3 12 8 56 ORDER 9 1 1 1 1 1 1 CONECT 10 24 39 21 1 11 16 ORDER 10 1 1 1 1 1 1 CONECT 11 10 72 16 52 13 53 ORDER 11 1 1 1 1 1 1 CONECT 12 15 14 18 6 58 9 ORDER 12 1 1 1 1 1 1 CONECT 13 21 11 45 19 14 6 ORDER 13 1 1 1 1 1 1 CONECT 14 13 53 49 15 55 12 ORDER 14 1 1 1 1 1 1 CONECT 15 17 19 53 14 12 ORDER 15 1 1 1 1 1 CONECT 16 10 11 17 19 53 ORDER 16 1 1 1 1 1 CONECT 17 1 16 2 19 15 18 ORDER 17 1 1 1 1 1 1 CONECT 18 2 17 19 6 12 9 ORDER 18 1 1 1 1 1 1 CONECT 19 1 16 13 17 15 18 ORDER 19 1 1 1 1 1 1 CONECT 20 23 5 2 3 ORDER 20 1 1 1 1 CONECT 21 24 10 42 32 1 13 ORDER 21 1 1 1 1 1 1 CONECT 22 38 29 26 5 34 25 ORDER 22 1 1 1 1 1 1 CONECT 23 41 24 38 5 20 ORDER 23 1 1 1 1 1 CONECT 24 40 41 10 23 21 1 ORDER 24 1 1 1 1 1 1 CONECT 25 26 22 3 7 4 8 ORDER 25 1 1 1 1 1 1 CONECT 26 38 29 22 28 34 25 ORDER 26 1 1 1 1 1 1 CONECT 27 30 33 29 77 28 37 ORDER 27 1 1 1 1 1 1 CONECT 28 32 27 26 45 35 7 ORDER 28 1 1 1 1 1 1 CONECT 29 30 33 27 26 22 37 ORDER 29 1 1 1 1 1 1 CONECT 30 31 33 32 38 29 27 ORDER 30 1 1 1 1 1 1 CONECT 31 40 30 79 77 ORDER 31 1 1 1 1 CONECT 32 41 30 42 21 38 28 ORDER 32 1 1 1 1 1 1 CONECT 33 30 79 29 27 37 ORDER 33 1 1 1 1 1 CONECT 34 26 22 37 35 36 4 ORDER 34 1 1 1 1 1 1 CONECT 35 28 37 68 34 36 4 ORDER 35 1 1 1 1 1 1 CONECT 36 37 35 34 44 4 ORDER 36 1 1 1 1 1 CONECT 37 33 29 27 35 34 36 ORDER 37 1 1 1 1 1 1 CONECT 38 41 30 32 23 26 22 ORDER 38 1 1 1 1 1 1 CONECT 39 40 10 72 42 52 ORDER 39 1 1 1 1 1 CONECT 40 78 41 24 39 31 42 ORDER 40 1 1 1 1 1 1 CONECT 41 40 24 32 23 38 ORDER 41 1 1 1 1 1 CONECT 42 78 40 39 32 21 ORDER 42 1 1 1 1 1 CONECT 43 80 69 68 44 70 ORDER 43 1 1 1 1 1 CONECT 44 76 68 43 36 70 67 ORDER 44 1 1 1 1 1 1 CONECT 45 75 28 64 13 46 57 ORDER 45 1 1 1 1 1 1 CONECT 46 63 50 45 65 48 62 ORDER 46 1 1 1 1 1 1 CONECT 47 50 48 49 55 ORDER 47 1 1 1 1 CONECT 48 63 50 65 46 47 62 ORDER 48 1 1 1 1 1 1 CONECT 49 51 47 14 55 61 58 ORDER 49 1 1 1 1 1 1 CONECT 50 72 52 46 48 47 ORDER 50 1 1 1 1 1 CONECT 51 72 52 53 49 55 ORDER 51 1 1 1 1 1 CONECT 52 39 71 72 11 50 51 ORDER 52 1 1 1 1 1 1 CONECT 53 11 16 51 15 14 ORDER 53 1 1 1 1 1 CONECT 54 6 7 67 58 56 66 ORDER 54 1 1 1 1 1 1 CONECT 55 51 49 47 14 61 58 ORDER 55 1 1 1 1 1 1 CONECT 56 54 67 58 9 8 66 ORDER 56 1 1 1 1 1 1 CONECT 57 45 60 62 70 61 59 ORDER 57 1 1 1 1 1 1 CONECT 58 49 54 55 12 56 ORDER 58 1 1 1 1 1 CONECT 59 57 60 62 70 61 66 ORDER 59 1 1 1 1 1 1 CONECT 60 64 69 57 59 ORDER 60 1 1 1 1 CONECT 61 49 57 62 55 59 66 ORDER 61 1 1 1 1 1 1 CONECT 62 65 46 48 57 61 59 ORDER 62 1 1 1 1 1 1 CONECT 63 74 71 75 65 46 48 ORDER 63 1 1 1 1 1 1 CONECT 64 73 80 69 45 65 60 ORDER 64 1 1 1 1 1 1 CONECT 65 63 64 69 46 48 62 ORDER 65 1 1 1 1 1 1 CONECT 66 54 70 61 59 56 ORDER 66 1 1 1 1 1 CONECT 67 68 54 44 4 56 ORDER 67 1 1 1 1 1 CONECT 68 76 35 43 44 70 67 ORDER 68 1 1 1 1 1 1 CONECT 69 73 80 64 65 43 60 ORDER 69 1 1 1 1 1 1 CONECT 70 68 43 57 44 59 66 ORDER 70 1 1 1 1 1 1 CONECT 71 78 74 72 63 75 52 ORDER 71 1 1 1 1 1 1 CONECT 72 39 71 11 50 52 51 ORDER 72 1 1 1 1 1 1 CONECT 73 74 75 64 69 ORDER 73 1 1 1 1 CONECT 74 78 71 81 63 73 75 ORDER 74 1 1 1 1 1 1 CONECT 75 74 71 81 63 73 45 ORDER 75 1 1 1 1 1 1 CONECT 76 79 77 68 44 ORDER 76 1 1 1 1 CONECT 77 31 81 79 80 27 76 ORDER 77 1 1 1 1 1 1 CONECT 78 40 74 71 81 42 ORDER 78 1 1 1 1 1 CONECT 79 31 81 33 80 77 76 ORDER 79 1 1 1 1 1 1 CONECT 80 81 79 77 64 69 43 ORDER 80 1 1 1 1 1 1 CONECT 81 78 74 79 75 80 77 ORDER 81 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3705772.86 END BIOGRF 200 DESCRP S_10763 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.48567 3.98588 -1.08869 0 1 0 0.00000 HETATM 2 Ag -1.88351 4.88662 -2.44989 0 1 0 0.00000 HETATM 3 Ag -3.24648 2.56208 -3.61111 0 1 0 0.00000 HETATM 4 Ag 0.49023 6.39927 -2.34336 0 1 0 0.00000 HETATM 5 Ag 2.09718 4.32296 -3.40829 0 1 0 0.00000 HETATM 6 Ag 2.07519 1.82107 -2.15867 0 1 0 0.00000 HETATM 7 Ag 2.84355 5.60324 -0.96478 0 1 0 0.00000 HETATM 8 Ag 4.41647 3.41202 -2.00446 0 1 0 0.00000 HETATM 9 Ag 5.40227 1.86042 0.21450 0 1 0 0.00000 HETATM 10 Ag 0.45476 3.82996 1.87609 0 1 0 0.00000 HETATM 11 Ag 0.51253 6.26690 0.47967 0 1 0 0.00000 HETATM 12 Ag 4.40662 3.02741 2.65485 0 1 0 0.00000 HETATM 13 Ag 3.58786 1.31286 4.81025 0 1 0 0.00000 HETATM 14 Ag 2.10116 3.66587 4.15294 0 1 0 0.00000 HETATM 15 Ag 0.53459 1.53327 0.19466 0 1 0 0.00000 HETATM 16 Ag 2.82075 5.35360 1.93606 0 1 0 0.00000 HETATM 17 Ag 5.12630 4.67244 0.44784 0 1 0 0.00000 HETATM 18 Ag 2.05112 1.43266 2.53399 0 1 0 0.00000 HETATM 19 Ag 4.65394 0.16312 2.44038 0 1 0 0.00000 HETATM 20 Ag 2.83125 3.10103 0.31857 0 1 0 0.00000 HETATM 21 Ag -1.92786 4.72150 0.42513 0 1 0 0.00000 HETATM 22 Ag -1.97026 4.35719 3.29532 0 1 0 0.00000 HETATM 23 Ag -4.26745 3.51276 1.78041 0 1 0 0.00000 HETATM 24 Ag -1.81995 2.41473 -1.22426 0 1 0 0.00000 HETATM 25 Ag -5.58998 0.98305 2.46963 0 1 0 0.00000 HETATM 26 Ag -6.47769 2.53824 0.21895 0 1 0 0.00000 HETATM 27 Ag -4.08306 1.25932 0.12471 0 1 0 0.00000 HETATM 28 Ag -6.37994 -0.33475 -0.02406 0 1 0 0.00000 HETATM 29 Ag -5.56381 1.38978 -2.24976 0 1 0 0.00000 HETATM 30 Ag -4.25012 3.76625 -1.13381 0 1 0 0.00000 HETATM 31 Ag -1.82113 2.17268 1.66856 0 1 0 0.00000 HETATM 32 Ag -3.28474 1.90169 4.03279 0 1 0 0.00000 HETATM 33 Ag -4.55676 -0.61557 4.62815 0 1 0 0.00000 HETATM 34 Ag -0.27997 -0.14815 2.41032 0 1 0 0.00000 HETATM 35 Ag -1.70053 -0.43940 4.77286 0 1 0 0.00000 HETATM 36 Ag 1.22864 -0.24561 4.75762 0 1 0 0.00000 HETATM 37 Ag -0.34046 2.11247 4.10482 0 1 0 0.00000 HETATM 38 Ag -0.03664 -2.64993 3.70666 0 1 0 0.00000 HETATM 39 Ag -1.68434 -0.02869 0.02828 0 1 0 0.00000 HETATM 40 Ag 3.75760 -1.50343 4.57923 0 1 0 0.00000 HETATM 41 Ag -3.12220 -0.32256 2.33815 0 1 0 0.00000 HETATM 42 Ag -5.39670 -1.94379 2.22160 0 1 0 0.00000 HETATM 43 Ag -2.97533 -2.81020 3.63156 0 1 0 0.00000 HETATM 44 Ag 3.79159 -0.72708 -4.66057 0 1 0 0.00000 HETATM 45 Ag 5.58697 -1.02551 -0.02567 0 1 0 0.00000 HETATM 46 Ag 3.09097 0.27557 0.07512 0 1 0 0.00000 HETATM 47 Ag 4.67448 0.55450 -2.26716 0 1 0 0.00000 HETATM 48 Ag 2.25746 -1.01146 -2.40768 0 1 0 0.00000 HETATM 49 Ag 3.62198 2.08962 -4.41723 0 1 0 0.00000 HETATM 50 Ag 0.72516 -1.26156 -0.06527 0 1 0 0.00000 HETATM 51 Ag 2.56833 -3.27525 -4.02994 0 1 0 0.00000 HETATM 52 Ag 3.49169 -4.82301 -1.81080 0 1 0 0.00000 HETATM 53 Ag 4.77844 -2.31485 -2.48977 0 1 0 0.00000 HETATM 54 Ag 3.20388 -2.56155 -0.16404 0 1 0 0.00000 HETATM 55 Ag 5.66762 -3.84888 -0.26243 0 1 0 0.00000 HETATM 56 Ag -0.25519 0.26397 -2.31870 0 1 0 0.00000 HETATM 57 Ag -3.89597 -1.61931 -0.11992 0 1 0 0.00000 HETATM 58 Ag -0.00137 -1.98791 -4.02167 0 1 0 0.00000 HETATM 59 Ag -3.75245 -3.87997 -1.78063 0 1 0 0.00000 HETATM 60 Ag 1.24407 -5.68925 -3.29549 0 1 0 0.00000 HETATM 61 Ag -1.51597 -2.22911 -1.61352 0 1 0 0.00000 HETATM 62 Ag -6.10218 -3.19721 -0.26601 0 1 0 0.00000 HETATM 63 Ag 1.27165 -6.01337 -0.46062 0 1 0 0.00000 HETATM 64 Ag -2.93967 -2.15810 -4.00875 0 1 0 0.00000 HETATM 65 Ag -1.28162 -4.44826 -3.24078 0 1 0 0.00000 HETATM 66 Ag -5.37377 -1.53962 -2.49794 0 1 0 0.00000 HETATM 67 Ag -1.65453 0.37166 -4.71492 0 1 0 0.00000 HETATM 68 Ag 0.96356 -3.50378 -1.71034 0 1 0 0.00000 HETATM 69 Ag -3.09979 0.07461 -2.31486 0 1 0 0.00000 HETATM 70 Ag -0.30995 2.77531 -3.62352 0 1 0 0.00000 HETATM 71 Ag 1.26705 0.55226 -4.64299 0 1 0 0.00000 HETATM 72 Ag -4.51013 0.17937 -4.63548 0 1 0 0.00000 HETATM 73 Ag 2.53984 -3.90763 3.52308 0 1 0 0.00000 HETATM 74 Ag 0.95181 -3.74691 1.18399 0 1 0 0.00000 HETATM 75 Ag 2.23803 -1.40508 2.29949 0 1 0 0.00000 HETATM 76 Ag 3.48073 -5.06556 1.08526 0 1 0 0.00000 HETATM 77 Ag 4.76035 -2.70479 2.18159 0 1 0 0.00000 HETATM 78 Ag -3.76692 -4.12912 1.13551 0 1 0 0.00000 HETATM 79 Ag -1.30925 -4.93926 2.50328 0 1 0 0.00000 HETATM 80 Ag -1.53005 -2.47705 1.27330 0 1 0 0.00000 HETATM 81 Ag -1.31768 -4.78263 -0.37642 0 1 0 0.00000 HETATM 82 Ag 1.22212 -6.16406 2.38912 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 5 4 24 7 15 11 ORDER 1 1 1 1 1 1 1 CONECT 2 70 4 24 30 21 ORDER 2 1 1 1 1 1 CONECT 3 67 72 69 29 24 30 ORDER 3 1 1 1 1 1 1 CONECT 4 5 2 1 7 11 ORDER 4 1 1 1 1 1 CONECT 5 70 4 6 8 1 7 ORDER 5 1 1 1 1 1 1 CONECT 6 49 5 48 56 8 15 ORDER 6 1 1 1 1 1 1 CONECT 7 5 4 1 20 17 11 ORDER 7 1 1 1 1 1 1 CONECT 8 49 5 47 6 20 17 ORDER 8 1 1 1 1 1 1 CONECT 9 46 17 12 ORDER 9 1 1 1 CONECT 10 11 31 16 22 14 ORDER 10 1 1 1 1 1 CONECT 11 4 1 7 21 10 16 ORDER 11 1 1 1 1 1 1 CONECT 12 9 20 17 18 14 13 ORDER 12 1 1 1 1 1 1 CONECT 13 19 18 12 14 40 36 ORDER 13 1 1 1 1 1 1 CONECT 14 10 16 18 12 37 13 ORDER 14 1 1 1 1 1 1 CONECT 15 6 1 39 20 18 ORDER 15 1 1 1 1 1 CONECT 16 20 17 11 10 14 ORDER 16 1 1 1 1 1 CONECT 17 8 7 9 20 16 12 ORDER 17 1 1 1 1 1 1 CONECT 18 15 75 34 12 14 13 ORDER 18 1 1 1 1 1 1 CONECT 19 45 46 77 40 13 ORDER 19 1 1 1 1 1 CONECT 20 8 7 15 17 16 12 ORDER 20 1 1 1 1 1 1 CONECT 21 2 24 11 31 22 ORDER 21 1 1 1 1 1 CONECT 22 21 31 23 10 32 37 ORDER 22 1 1 1 1 1 1 CONECT 23 30 27 26 31 22 ORDER 23 1 1 1 1 1 CONECT 24 3 2 30 1 21 ORDER 24 1 1 1 1 1 CONECT 25 28 27 26 41 32 33 ORDER 25 1 1 1 1 1 1 CONECT 26 29 30 28 27 23 25 ORDER 26 1 1 1 1 1 1 CONECT 27 29 28 39 26 23 25 ORDER 27 1 1 1 1 1 1 CONECT 28 66 62 57 27 26 25 ORDER 28 1 1 1 1 1 1 CONECT 29 72 3 69 30 27 26 ORDER 29 1 1 1 1 1 1 CONECT 30 3 2 29 24 26 23 ORDER 30 1 1 1 1 1 1 CONECT 31 21 23 10 22 32 ORDER 31 1 1 1 1 1 CONECT 32 31 41 25 22 33 35 ORDER 32 1 1 1 1 1 1 CONECT 33 42 41 25 43 32 35 ORDER 33 1 1 1 1 1 1 CONECT 34 75 18 37 36 35 ORDER 34 1 1 1 1 1 CONECT 35 34 43 32 33 ORDER 35 1 1 1 1 CONECT 36 34 38 37 40 13 ORDER 36 1 1 1 1 1 CONECT 37 34 22 14 36 ORDER 37 1 1 1 1 CONECT 38 80 79 73 36 ORDER 38 1 1 1 1 CONECT 39 69 57 50 27 15 41 ORDER 39 1 1 1 1 1 1 CONECT 40 77 75 19 36 13 ORDER 40 1 1 1 1 1 CONECT 41 39 42 25 43 32 33 ORDER 41 1 1 1 1 1 1 CONECT 42 62 57 78 41 33 ORDER 42 1 1 1 1 1 CONECT 43 78 80 41 79 33 35 ORDER 43 1 1 1 1 1 1 CONECT 44 71 49 53 48 47 ORDER 44 1 1 1 1 1 CONECT 45 55 46 19 ORDER 45 1 1 1 CONECT 46 47 45 9 19 ORDER 46 1 1 1 1 CONECT 47 44 49 53 8 46 ORDER 47 1 1 1 1 1 CONECT 48 44 51 53 56 6 50 ORDER 48 1 1 1 1 1 1 CONECT 49 44 71 47 6 8 ORDER 49 1 1 1 1 1 CONECT 50 48 68 54 39 74 75 ORDER 50 1 1 1 1 1 1 CONECT 51 58 60 53 48 52 68 ORDER 51 1 1 1 1 1 1 CONECT 52 51 60 68 63 55 54 ORDER 52 1 1 1 1 1 1 CONECT 53 44 51 48 47 55 54 ORDER 53 1 1 1 1 1 1 CONECT 54 53 52 55 50 76 77 ORDER 54 1 1 1 1 1 1 CONECT 55 53 52 54 45 76 77 ORDER 55 1 1 1 1 1 1 CONECT 56 67 71 58 70 48 6 ORDER 56 1 1 1 1 1 1 CONECT 57 66 59 62 28 39 42 ORDER 57 1 1 1 1 1 1 CONECT 58 71 51 65 56 61 ORDER 58 1 1 1 1 1 CONECT 59 65 61 62 57 78 ORDER 59 1 1 1 1 1 CONECT 60 51 65 52 68 63 ORDER 60 1 1 1 1 1 CONECT 61 58 64 65 59 68 81 ORDER 61 1 1 1 1 1 1 CONECT 62 66 59 57 28 78 42 ORDER 62 1 1 1 1 1 1 CONECT 63 60 52 68 76 74 82 ORDER 63 1 1 1 1 1 1 CONECT 64 67 72 66 69 61 ORDER 64 1 1 1 1 1 CONECT 65 58 60 59 61 81 ORDER 65 1 1 1 1 1 CONECT 66 72 64 69 62 57 28 ORDER 66 1 1 1 1 1 1 CONECT 67 71 72 64 3 56 ORDER 67 1 1 1 1 1 CONECT 68 51 60 52 61 63 50 ORDER 68 1 1 1 1 1 1 CONECT 69 72 64 3 66 29 39 ORDER 69 1 1 1 1 1 1 CONECT 70 71 5 2 56 ORDER 70 1 1 1 1 CONECT 71 67 44 49 58 70 56 ORDER 71 1 1 1 1 1 1 CONECT 72 67 64 3 66 69 29 ORDER 72 1 1 1 1 1 1 CONECT 73 76 74 77 75 82 38 ORDER 73 1 1 1 1 1 1 CONECT 74 63 50 76 80 82 73 ORDER 74 1 1 1 1 1 1 CONECT 75 50 77 34 18 73 40 ORDER 75 1 1 1 1 1 1 CONECT 76 63 55 54 74 82 73 ORDER 76 1 1 1 1 1 1 CONECT 77 55 54 75 19 73 40 ORDER 77 1 1 1 1 1 1 CONECT 78 59 62 80 42 79 43 ORDER 78 1 1 1 1 1 1 CONECT 79 81 78 80 82 43 38 ORDER 79 1 1 1 1 1 1 CONECT 80 81 78 74 79 43 38 ORDER 80 1 1 1 1 1 1 CONECT 81 65 61 80 79 ORDER 81 1 1 1 1 CONECT 82 63 76 74 79 73 ORDER 82 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3751524.61 END BIOGRF 200 DESCRP S_11015 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.63017 -1.39605 0.00003 0 1 0 0.00000 HETATM 2 Ag 1.24292 -0.00025 -4.71934 0 1 0 0.00000 HETATM 3 Ag -1.60348 -4.69470 -2.88278 0 1 0 0.00000 HETATM 4 Ag -1.68217 -2.33636 -1.44989 0 1 0 0.00000 HETATM 5 Ag -3.12322 -0.00014 -2.33555 0 1 0 0.00000 HETATM 6 Ag -1.68742 -0.00027 -4.76200 0 1 0 0.00000 HETATM 7 Ag -3.12187 -2.37356 -3.83440 0 1 0 0.00000 HETATM 8 Ag -0.17772 -2.39644 -3.87851 0 1 0 0.00000 HETATM 9 Ag -5.49691 1.47349 -2.36861 0 1 0 0.00000 HETATM 10 Ag -4.54796 -0.00033 -4.64871 0 1 0 0.00000 HETATM 11 Ag 0.87843 -6.17641 0.00001 0 1 0 0.00000 HETATM 12 Ag 2.31318 -3.82813 -3.79012 0 1 0 0.00000 HETATM 13 Ag 3.15624 -5.24483 1.45462 0 1 0 0.00000 HETATM 14 Ag 0.84546 -6.08687 -2.85510 0 1 0 0.00000 HETATM 15 Ag 0.71427 -3.76861 -1.45455 0 1 0 0.00000 HETATM 16 Ag 3.15640 -5.24476 -1.45456 0 1 0 0.00000 HETATM 17 Ag -4.02024 3.84567 -1.46368 0 1 0 0.00000 HETATM 18 Ag 3.68704 -1.41799 -4.63399 0 1 0 0.00000 HETATM 19 Ag 4.59079 -2.88227 -2.34295 0 1 0 0.00000 HETATM 20 Ag 5.40246 -4.28396 0.00013 0 1 0 0.00000 HETATM 21 Ag 3.02470 -2.84420 0.00002 0 1 0 0.00000 HETATM 22 Ag 2.15558 -1.42483 -2.36047 0 1 0 0.00000 HETATM 23 Ag 0.87843 6.17650 -0.00001 0 1 0 0.00000 HETATM 24 Ag 3.68685 1.41790 -4.63403 0 1 0 0.00000 HETATM 25 Ag 0.71429 3.76854 -1.45476 0 1 0 0.00000 HETATM 26 Ag 0.84523 6.08696 -2.85507 0 1 0 0.00000 HETATM 27 Ag -0.17772 2.39595 -3.87871 0 1 0 0.00000 HETATM 28 Ag -1.60343 4.69432 -2.88326 0 1 0 0.00000 HETATM 29 Ag -1.68210 2.33624 -1.45013 0 1 0 0.00000 HETATM 30 Ag -0.27439 -0.00017 -2.37511 0 1 0 0.00000 HETATM 31 Ag 2.31295 3.82805 -3.79019 0 1 0 0.00000 HETATM 32 Ag 5.50411 -1.45130 0.00002 0 1 0 0.00000 HETATM 33 Ag 3.09817 -0.00002 -0.00001 0 1 0 0.00000 HETATM 34 Ag 5.40242 4.28399 -0.00007 0 1 0 0.00000 HETATM 35 Ag 3.15623 5.24480 -1.45466 0 1 0 0.00000 HETATM 36 Ag 3.02470 2.84414 -0.00003 0 1 0 0.00000 HETATM 37 Ag 4.59064 2.88218 -2.34304 0 1 0 0.00000 HETATM 38 Ag 5.50406 1.45138 -0.00002 0 1 0 0.00000 HETATM 39 Ag 4.66877 0.00007 -2.36407 0 1 0 0.00000 HETATM 40 Ag 2.15553 1.42478 -2.36057 0 1 0 0.00000 HETATM 41 Ag 0.63008 1.39602 -0.00001 0 1 0 0.00000 HETATM 42 Ag -3.12181 2.37309 -3.83462 0 1 0 0.00000 HETATM 43 Ag -3.12324 0.00013 2.33554 0 1 0 0.00000 HETATM 44 Ag -5.49692 -1.47377 -2.36846 0 1 0 0.00000 HETATM 45 Ag -4.02030 -3.84588 -1.46319 0 1 0 0.00000 HETATM 46 Ag -6.39788 0.00003 0.00005 0 1 0 0.00000 HETATM 47 Ag -3.12184 -2.37306 3.83463 0 1 0 0.00000 HETATM 48 Ag -5.49691 1.47381 2.36845 0 1 0 0.00000 HETATM 49 Ag -6.30664 2.88625 -0.00025 0 1 0 0.00000 HETATM 50 Ag -4.00362 1.44852 -0.00009 0 1 0 0.00000 HETATM 51 Ag -1.69510 -0.00002 -0.00000 0 1 0 0.00000 HETATM 52 Ag -4.00373 -1.44843 0.00015 0 1 0 0.00000 HETATM 53 Ag -4.54804 0.00027 4.64868 0 1 0 0.00000 HETATM 54 Ag -5.49692 -1.47345 2.36860 0 1 0 0.00000 HETATM 55 Ag -6.30671 -2.88619 0.00014 0 1 0 0.00000 HETATM 56 Ag 0.84521 -6.08685 2.85507 0 1 0 0.00000 HETATM 57 Ag -1.63048 -4.78128 0.00025 0 1 0 0.00000 HETATM 58 Ag -1.68217 -2.33619 1.45015 0 1 0 0.00000 HETATM 59 Ag -4.02030 -3.84573 1.46368 0 1 0 0.00000 HETATM 60 Ag -1.60349 -4.69433 2.88331 0 1 0 0.00000 HETATM 61 Ag -0.17768 -2.39604 3.87871 0 1 0 0.00000 HETATM 62 Ag 2.31299 -3.82807 3.79017 0 1 0 0.00000 HETATM 63 Ag 0.71431 -3.76855 1.45469 0 1 0 0.00000 HETATM 64 Ag -3.12178 2.37358 3.83441 0 1 0 0.00000 HETATM 65 Ag -4.02023 3.84596 1.46318 0 1 0 0.00000 HETATM 66 Ag -1.68740 0.00028 4.76210 0 1 0 0.00000 HETATM 67 Ag -1.68207 2.33634 1.44986 0 1 0 0.00000 HETATM 68 Ag -0.27440 0.00012 2.37513 0 1 0 0.00000 HETATM 69 Ag -0.17769 2.39634 3.87851 0 1 0 0.00000 HETATM 70 Ag 3.68696 1.41793 4.63399 0 1 0 0.00000 HETATM 71 Ag 1.24298 0.00014 4.71932 0 1 0 0.00000 HETATM 72 Ag 2.31309 3.82809 3.79008 0 1 0 0.00000 HETATM 73 Ag 4.66871 0.00003 2.36408 0 1 0 0.00000 HETATM 74 Ag 2.15552 1.42481 2.36050 0 1 0 0.00000 HETATM 75 Ag 4.59079 2.88226 2.34286 0 1 0 0.00000 HETATM 76 Ag 4.59069 -2.88216 2.34301 0 1 0 0.00000 HETATM 77 Ag 2.15555 -1.42472 2.36065 0 1 0 0.00000 HETATM 78 Ag 3.68690 -1.41786 4.63413 0 1 0 0.00000 HETATM 79 Ag 3.15638 5.24479 1.45456 0 1 0 0.00000 HETATM 80 Ag 0.84543 6.08688 2.85506 0 1 0 0.00000 HETATM 81 Ag 0.71430 3.76855 1.45456 0 1 0 0.00000 HETATM 82 Ag -1.63046 4.78122 -0.00027 0 1 0 0.00000 HETATM 83 Ag -1.60351 4.69462 2.88274 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 22 15 41 51 21 63 ORDER 1 1 1 1 1 1 1 CONECT 2 24 18 27 30 ORDER 2 1 1 1 1 CONECT 3 8 14 45 4 57 ORDER 3 1 1 1 1 1 CONECT 4 7 3 45 15 57 ORDER 4 1 1 1 1 1 CONECT 5 10 42 7 9 44 51 ORDER 5 1 1 1 1 1 1 CONECT 6 10 8 42 7 30 ORDER 6 1 1 1 1 1 CONECT 7 6 10 44 5 45 4 ORDER 7 1 1 1 1 1 1 CONECT 8 6 12 3 ORDER 8 1 1 1 CONECT 9 10 5 49 50 ORDER 9 1 1 1 1 CONECT 10 6 42 7 9 44 5 ORDER 10 1 1 1 1 1 1 CONECT 11 14 16 15 13 63 56 ORDER 11 1 1 1 1 1 1 CONECT 12 8 14 22 19 16 15 ORDER 12 1 1 1 1 1 1 CONECT 13 11 21 20 63 56 62 ORDER 13 1 1 1 1 1 1 CONECT 14 12 3 16 15 11 ORDER 14 1 1 1 1 1 CONECT 15 12 14 16 4 11 1 ORDER 15 1 1 1 1 1 1 CONECT 16 12 14 15 11 21 20 ORDER 16 1 1 1 1 1 1 CONECT 17 42 28 29 49 50 65 ORDER 17 1 1 1 1 1 1 CONECT 18 2 24 39 22 19 ORDER 18 1 1 1 1 1 CONECT 19 18 12 39 22 21 20 ORDER 19 1 1 1 1 1 1 CONECT 20 19 16 21 32 13 76 ORDER 20 1 1 1 1 1 1 CONECT 21 19 16 1 20 13 76 ORDER 21 1 1 1 1 1 1 CONECT 22 18 12 30 40 19 1 ORDER 22 1 1 1 1 1 1 CONECT 23 26 25 35 81 79 80 ORDER 23 1 1 1 1 1 1 CONECT 24 2 18 39 40 37 ORDER 24 1 1 1 1 1 CONECT 25 31 26 35 29 23 41 ORDER 25 1 1 1 1 1 1 CONECT 26 31 28 25 35 23 ORDER 26 1 1 1 1 1 CONECT 27 2 31 28 30 ORDER 27 1 1 1 1 CONECT 28 27 42 26 17 29 82 ORDER 28 1 1 1 1 1 1 CONECT 29 42 28 17 25 82 ORDER 29 1 1 1 1 1 CONECT 30 6 2 27 40 22 ORDER 30 1 1 1 1 1 CONECT 31 27 26 40 37 25 35 ORDER 31 1 1 1 1 1 1 CONECT 32 38 33 20 ORDER 32 2 1 1 CONECT 33 39 38 32 73 ORDER 33 1 1 1 1 CONECT 34 37 35 36 38 79 75 ORDER 34 1 1 1 1 1 1 CONECT 35 31 26 25 34 36 23 ORDER 35 1 1 1 1 1 1 CONECT 36 37 35 34 41 79 75 ORDER 36 1 1 1 1 1 1 CONECT 37 24 31 39 40 34 36 ORDER 37 1 1 1 1 1 1 CONECT 38 34 33 32 ORDER 38 1 1 2 CONECT 39 24 18 37 19 33 ORDER 39 1 1 1 1 1 CONECT 40 24 31 30 22 37 ORDER 40 1 1 1 1 1 CONECT 41 25 36 51 1 81 74 ORDER 41 1 1 1 1 1 1 CONECT 42 6 10 28 5 17 29 ORDER 42 1 1 1 1 1 1 CONECT 43 51 48 54 64 47 53 ORDER 43 1 1 1 1 1 1 CONECT 44 10 7 5 55 52 ORDER 44 1 1 1 1 1 CONECT 45 7 3 4 55 59 ORDER 45 1 1 1 1 1 CONECT 46 49 50 55 52 48 54 ORDER 46 1 1 1 1 1 1 CONECT 47 58 59 43 53 66 ORDER 47 1 1 1 1 1 CONECT 48 49 50 46 43 53 ORDER 48 1 1 1 1 1 CONECT 49 9 17 50 46 65 48 ORDER 49 1 1 1 1 1 1 CONECT 50 9 17 49 51 46 48 ORDER 50 1 1 1 1 1 1 CONECT 51 5 50 41 1 52 43 ORDER 51 1 1 1 1 1 1 CONECT 52 44 51 46 55 59 54 ORDER 52 1 1 1 1 1 1 CONECT 53 43 48 54 64 47 66 ORDER 53 1 1 1 1 1 1 CONECT 54 46 55 52 43 53 ORDER 54 1 1 1 1 1 CONECT 55 44 45 46 52 59 54 ORDER 55 1 1 1 1 1 1 CONECT 56 11 13 63 60 62 ORDER 56 1 1 1 1 1 CONECT 57 3 4 58 60 ORDER 57 1 1 1 1 CONECT 58 57 63 59 60 47 61 ORDER 58 1 1 1 1 1 1 CONECT 59 45 55 52 58 60 47 ORDER 59 1 1 1 1 1 1 CONECT 60 57 58 59 56 61 ORDER 60 1 1 1 1 1 CONECT 61 58 68 60 62 71 ORDER 61 1 1 1 1 1 CONECT 62 13 63 76 77 56 61 ORDER 62 1 1 1 1 1 1 CONECT 63 11 1 58 13 56 62 ORDER 63 1 1 1 1 1 1 CONECT 64 67 65 43 83 53 66 ORDER 64 1 1 1 1 1 1 CONECT 65 17 82 49 67 83 64 ORDER 65 1 1 1 1 1 1 CONECT 66 68 64 47 53 ORDER 66 1 1 1 1 CONECT 67 82 81 65 83 64 69 ORDER 67 1 1 1 1 1 1 CONECT 68 74 77 69 61 71 66 ORDER 68 1 1 1 1 1 1 CONECT 69 67 68 83 72 ORDER 69 1 1 1 1 CONECT 70 75 74 73 78 71 ORDER 70 1 1 1 1 1 CONECT 71 68 61 70 78 ORDER 71 1 1 1 1 CONECT 72 81 79 75 74 80 69 ORDER 72 1 1 1 1 1 1 CONECT 73 33 75 76 77 70 78 ORDER 73 1 1 1 1 1 1 CONECT 74 41 75 77 68 72 70 ORDER 74 1 1 1 1 1 1 CONECT 75 34 36 74 73 72 70 ORDER 75 1 1 1 1 1 1 CONECT 76 21 20 77 73 62 78 ORDER 76 1 1 1 1 1 1 CONECT 77 76 74 73 68 62 78 ORDER 77 1 1 1 1 1 1 CONECT 78 76 77 73 70 71 ORDER 78 1 1 1 1 1 CONECT 79 34 36 23 81 80 72 ORDER 79 1 1 1 1 1 1 CONECT 80 23 81 79 83 72 ORDER 80 1 1 1 1 1 CONECT 81 23 41 67 79 80 72 ORDER 81 1 1 1 1 1 1 CONECT 82 28 29 67 65 83 ORDER 82 1 1 1 1 1 CONECT 83 82 67 65 80 64 69 ORDER 83 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3797276.36 END BIOGRF 200 DESCRP S_11270 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -4.68220 -1.58156 4.51868 0 1 0 0.00000 HETATM 2 Ag -1.81989 -1.68559 4.69764 0 1 0 0.00000 HETATM 3 Ag -3.18280 -0.87337 2.36353 0 1 0 0.00000 HETATM 4 Ag 0.65289 1.13294 0.70253 0 1 0 0.00000 HETATM 5 Ag -1.68063 -0.16127 0.19125 0 1 0 0.00000 HETATM 6 Ag -1.67310 3.32611 4.42099 0 1 0 0.00000 HETATM 7 Ag -3.19799 0.88517 4.54575 0 1 0 0.00000 HETATM 8 Ag -0.24624 0.82661 4.66680 0 1 0 0.00000 HETATM 9 Ag -4.00268 3.06192 2.74581 0 1 0 0.00000 HETATM 10 Ag -6.25894 2.67912 0.99711 0 1 0 0.00000 HETATM 11 Ag -3.97482 1.26154 0.59867 0 1 0 0.00000 HETATM 12 Ag -5.37774 2.09149 -1.67872 0 1 0 0.00000 HETATM 13 Ag -3.02577 -1.14106 -4.23625 0 1 0 0.00000 HETATM 14 Ag -4.37093 1.41765 -4.29177 0 1 0 0.00000 HETATM 15 Ag -4.01260 -1.46863 -0.33756 0 1 0 0.00000 HETATM 16 Ag -6.34116 -2.76837 -0.85981 0 1 0 0.00000 HETATM 17 Ag -4.11879 -4.20218 0.27867 0 1 0 0.00000 HETATM 18 Ag -3.26900 -3.59450 3.02560 0 1 0 0.00000 HETATM 19 Ag -5.58290 -2.21503 1.85925 0 1 0 0.00000 HETATM 20 Ag -5.54208 0.56396 2.80906 0 1 0 0.00000 HETATM 21 Ag -1.66954 1.58888 2.31725 0 1 0 0.00000 HETATM 22 Ag -6.38983 -0.04247 0.06451 0 1 0 0.00000 HETATM 23 Ag -4.03283 -3.27645 -2.49320 0 1 0 0.00000 HETATM 24 Ag -5.42058 -0.68899 -2.62561 0 1 0 0.00000 HETATM 25 Ag -1.50885 1.37997 -4.34560 0 1 0 0.00000 HETATM 26 Ag -1.19898 4.14789 -4.84191 0 1 0 0.00000 HETATM 27 Ag -3.02238 0.63949 -2.06346 0 1 0 0.00000 HETATM 28 Ag 1.61743 3.99804 -4.70824 0 1 0 0.00000 HETATM 29 Ag 0.22939 5.92500 -3.18040 0 1 0 0.00000 HETATM 30 Ag 2.51142 4.62086 -2.10029 0 1 0 0.00000 HETATM 31 Ag 0.00048 3.22425 -2.57467 0 1 0 0.00000 HETATM 32 Ag -1.61746 2.52069 -0.40439 0 1 0 0.00000 HETATM 33 Ag -3.92541 4.01087 -0.01541 0 1 0 0.00000 HETATM 34 Ag -2.94310 3.38700 -2.74075 0 1 0 0.00000 HETATM 35 Ag 1.03144 6.50708 -0.54221 0 1 0 0.00000 HETATM 36 Ag 1.00158 5.65296 2.17575 0 1 0 0.00000 HETATM 37 Ag 3.29937 5.17248 0.60241 0 1 0 0.00000 HETATM 38 Ag 0.82447 3.84413 0.09342 0 1 0 0.00000 HETATM 39 Ag -1.45755 5.22825 -1.04195 0 1 0 0.00000 HETATM 40 Ag 3.20225 4.21924 3.33855 0 1 0 0.00000 HETATM 41 Ag 2.30560 2.11712 5.07883 0 1 0 0.00000 HETATM 42 Ag 0.72409 2.95298 2.90564 0 1 0 0.00000 HETATM 43 Ag -1.55511 4.37356 1.73268 0 1 0 0.00000 HETATM 44 Ag 0.61415 -1.56929 -0.18212 0 1 0 0.00000 HETATM 45 Ag 3.55451 -3.10735 4.24719 0 1 0 0.00000 HETATM 46 Ag 2.07273 -2.35866 2.05671 0 1 0 0.00000 HETATM 47 Ag 3.59066 -0.42908 5.14633 0 1 0 0.00000 HETATM 48 Ag 5.34810 -4.38424 -1.02125 0 1 0 0.00000 HETATM 49 Ag -0.31767 -3.70053 3.12866 0 1 0 0.00000 HETATM 50 Ag 4.50167 -3.78348 1.62439 0 1 0 0.00000 HETATM 51 Ag 2.98086 -2.97557 -0.60584 0 1 0 0.00000 HETATM 52 Ag 1.12056 -1.73834 4.72227 0 1 0 0.00000 HETATM 53 Ag 2.19699 -5.05053 2.65301 0 1 0 0.00000 HETATM 54 Ag -0.33547 -0.95199 2.47425 0 1 0 0.00000 HETATM 55 Ag 4.58188 1.67343 3.46526 0 1 0 0.00000 HETATM 56 Ag 2.10885 0.35323 2.96204 0 1 0 0.00000 HETATM 57 Ag 4.60255 -1.06166 2.56419 0 1 0 0.00000 HETATM 58 Ag 3.09312 -0.26895 0.29635 0 1 0 0.00000 HETATM 59 Ag 5.48019 -1.69782 -0.11551 0 1 0 0.00000 HETATM 60 Ag 0.61029 -4.35154 0.43616 0 1 0 0.00000 HETATM 61 Ag 3.04704 -5.68653 -0.01886 0 1 0 0.00000 HETATM 62 Ag 4.63583 -2.28610 -2.80330 0 1 0 0.00000 HETATM 63 Ag 3.14263 -4.76038 -2.77366 0 1 0 0.00000 HETATM 64 Ag 0.85991 -5.02733 -4.44608 0 1 0 0.00000 HETATM 65 Ag -1.69609 -4.69185 -1.34173 0 1 0 0.00000 HETATM 66 Ag 0.70994 -3.31554 -2.33637 0 1 0 0.00000 HETATM 67 Ag 0.81788 -6.03195 -1.80557 0 1 0 0.00000 HETATM 68 Ag 2.39170 -2.64918 -4.54211 0 1 0 0.00000 HETATM 69 Ag -1.58850 -3.70042 -4.03871 0 1 0 0.00000 HETATM 70 Ag -1.67385 -1.91969 -1.93023 0 1 0 0.00000 HETATM 71 Ag -1.81461 -5.49673 1.42975 0 1 0 0.00000 HETATM 72 Ag -1.74152 -2.83997 0.81219 0 1 0 0.00000 HETATM 73 Ag 3.06229 2.43440 1.21399 0 1 0 0.00000 HETATM 74 Ag 5.47364 3.73473 1.72222 0 1 0 0.00000 HETATM 75 Ag 2.27315 1.85161 -1.50403 0 1 0 0.00000 HETATM 76 Ag 4.71444 3.17425 -0.96222 0 1 0 0.00000 HETATM 77 Ag 4.75089 0.45516 -1.90895 0 1 0 0.00000 HETATM 78 Ag 2.22600 -0.85767 -2.40620 0 1 0 0.00000 HETATM 79 Ag 1.38753 1.24147 -4.23895 0 1 0 0.00000 HETATM 80 Ag 3.84096 2.56288 -3.65979 0 1 0 0.00000 HETATM 81 Ag 3.83235 -0.14902 -4.52759 0 1 0 0.00000 HETATM 82 Ag 5.52187 1.05036 0.81142 0 1 0 0.00000 HETATM 83 Ag -0.09394 -1.25633 -4.22593 0 1 0 0.00000 HETATM 84 Ag -0.18198 0.50839 -2.01956 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 19 3 20 18 7 2 ORDER 1 1 1 1 1 1 1 CONECT 2 54 18 1 7 ORDER 2 1 1 1 1 CONECT 3 5 19 20 18 1 7 ORDER 3 1 1 1 1 1 1 CONECT 4 75 38 5 58 73 56 ORDER 4 1 1 1 1 1 1 CONECT 5 27 15 44 11 4 3 ORDER 5 1 1 1 1 1 1 CONECT 6 43 21 9 42 7 8 ORDER 6 1 1 1 1 1 1 CONECT 7 21 3 20 6 1 2 ORDER 7 1 1 1 1 1 1 CONECT 8 21 54 42 6 52 41 ORDER 8 1 1 1 1 1 1 CONECT 9 33 11 10 21 20 6 ORDER 9 1 1 1 1 1 1 CONECT 10 12 33 22 11 9 20 ORDER 10 1 1 1 1 1 1 CONECT 11 12 22 5 10 9 20 ORDER 11 1 1 1 1 1 1 CONECT 12 14 27 33 11 10 ORDER 12 1 1 1 1 1 CONECT 13 14 83 24 23 27 70 ORDER 13 1 1 1 1 1 1 CONECT 14 25 13 34 24 27 12 ORDER 14 1 1 1 1 1 1 CONECT 15 24 16 22 5 17 19 ORDER 15 1 1 1 1 1 1 CONECT 16 24 23 15 22 17 19 ORDER 16 1 1 1 1 1 1 CONECT 17 23 16 15 72 71 19 ORDER 17 1 1 1 1 1 1 CONECT 18 72 71 3 1 2 ORDER 18 1 1 1 1 1 CONECT 19 16 15 22 17 3 1 ORDER 19 1 1 1 1 1 1 CONECT 20 11 10 3 9 1 7 ORDER 20 1 1 1 1 1 1 CONECT 21 43 9 42 6 7 8 ORDER 21 1 1 1 1 1 1 CONECT 22 24 16 15 11 10 19 ORDER 22 1 1 1 1 1 1 CONECT 23 13 69 70 16 17 ORDER 23 1 1 1 1 1 CONECT 24 14 13 27 16 15 22 ORDER 24 1 1 1 1 1 1 CONECT 25 26 14 79 34 84 ORDER 25 1 1 1 1 1 CONECT 26 28 25 29 34 31 ORDER 26 1 1 1 1 1 CONECT 27 14 13 34 24 12 5 ORDER 27 1 1 1 1 1 1 CONECT 28 26 79 80 29 31 30 ORDER 28 1 1 1 1 1 1 CONECT 29 26 28 31 30 39 35 ORDER 29 1 1 1 1 1 1 CONECT 30 28 29 75 76 35 37 ORDER 30 1 1 1 1 1 1 CONECT 31 26 28 29 84 32 38 ORDER 31 1 1 1 1 1 1 CONECT 32 34 31 39 33 38 43 ORDER 32 1 1 1 1 1 1 CONECT 33 12 39 32 10 9 ORDER 33 1 1 1 1 1 CONECT 34 26 25 14 27 39 32 ORDER 34 1 1 1 1 1 1 CONECT 35 29 30 39 38 37 36 ORDER 35 1 1 1 1 1 1 CONECT 36 35 38 37 43 42 40 ORDER 36 1 1 1 1 1 1 CONECT 37 30 35 38 73 74 36 ORDER 37 1 1 1 1 1 1 CONECT 38 31 35 32 37 4 36 ORDER 38 1 1 1 1 1 1 CONECT 39 29 34 35 32 33 43 ORDER 39 1 1 1 1 1 1 CONECT 40 73 74 36 42 41 ORDER 40 1 1 1 1 1 CONECT 41 42 56 40 55 8 47 ORDER 41 1 1 1 1 1 1 CONECT 42 36 21 40 6 8 41 ORDER 42 1 1 1 1 1 1 CONECT 43 39 32 36 21 6 ORDER 43 1 1 1 1 1 CONECT 44 78 66 51 5 58 46 ORDER 44 1 1 1 1 1 1 CONECT 45 50 46 57 53 52 47 ORDER 45 1 1 1 1 1 1 CONECT 46 44 50 54 53 56 45 ORDER 46 1 1 1 1 1 1 CONECT 47 57 56 55 45 52 41 ORDER 47 1 1 1 1 1 1 CONECT 48 62 63 51 59 61 50 ORDER 48 1 1 1 1 1 1 CONECT 49 60 72 71 54 53 52 ORDER 49 1 1 1 1 1 1 CONECT 50 48 51 46 57 53 45 ORDER 50 1 1 1 1 1 1 CONECT 51 62 63 48 44 61 50 ORDER 51 1 1 1 1 1 1 CONECT 52 54 49 45 8 47 ORDER 52 1 1 1 1 1 CONECT 53 61 60 50 46 49 45 ORDER 53 1 1 1 1 1 1 CONECT 54 46 56 49 8 2 52 ORDER 54 1 1 1 1 1 1 CONECT 55 73 74 57 56 41 47 ORDER 55 1 1 1 1 1 1 CONECT 56 4 46 54 55 41 47 ORDER 56 1 1 1 1 1 1 CONECT 57 59 58 50 55 45 47 ORDER 57 1 1 1 1 1 1 CONECT 58 77 44 59 4 82 57 ORDER 58 1 1 1 1 1 1 CONECT 59 62 48 58 82 57 ORDER 59 1 1 1 1 1 CONECT 60 67 61 72 71 53 49 ORDER 60 1 1 1 1 1 1 CONECT 61 67 48 51 60 53 ORDER 61 1 1 1 1 1 CONECT 62 68 81 78 48 51 59 ORDER 62 1 1 1 1 1 1 CONECT 63 68 64 66 67 48 51 ORDER 63 1 1 1 1 1 1 CONECT 64 68 69 63 66 67 ORDER 64 1 1 1 1 1 CONECT 65 69 70 67 72 71 ORDER 65 1 1 1 1 1 CONECT 66 68 64 63 70 67 44 ORDER 66 1 1 1 1 1 1 CONECT 67 64 63 66 65 61 60 ORDER 67 1 1 1 1 1 1 CONECT 68 64 83 62 63 78 66 ORDER 68 1 1 1 1 1 1 CONECT 69 64 83 23 70 65 ORDER 69 1 1 1 1 1 CONECT 70 13 69 23 66 65 ORDER 70 1 1 1 1 1 CONECT 71 65 17 60 72 18 49 ORDER 71 1 1 1 1 1 1 CONECT 72 65 17 60 71 18 49 ORDER 72 1 1 1 1 1 1 CONECT 73 76 37 4 74 40 55 ORDER 73 1 1 1 1 1 1 CONECT 74 76 37 82 73 40 55 ORDER 74 1 1 1 1 1 1 CONECT 75 80 78 30 84 76 4 ORDER 75 1 1 1 1 1 1 CONECT 76 30 77 75 82 73 74 ORDER 76 1 1 1 1 1 1 CONECT 77 81 80 76 58 82 ORDER 77 1 1 1 1 1 CONECT 78 68 81 62 84 75 44 ORDER 78 1 1 1 1 1 1 CONECT 79 28 81 25 83 80 84 ORDER 79 1 1 1 1 1 1 CONECT 80 28 81 79 77 75 ORDER 80 1 1 1 1 1 CONECT 81 79 80 62 78 77 ORDER 81 1 1 1 1 1 CONECT 82 77 76 59 58 74 ORDER 82 1 1 1 1 1 CONECT 83 68 79 13 69 84 ORDER 83 1 1 1 1 1 CONECT 84 25 79 83 31 78 75 ORDER 84 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3843024.98 END BIOGRF 200 DESCRP S_11528 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -3.20835 2.43730 -1.41201 0 1 0 0.00000 HETATM 2 Ag -4.43832 2.89562 -3.89163 0 1 0 0.00000 HETATM 3 Ag -5.77830 2.13363 -0.20461 0 1 0 0.00000 HETATM 4 Ag -3.62313 0.35669 -4.81829 0 1 0 0.00000 HETATM 5 Ag -1.70247 2.23439 -3.87570 0 1 0 0.00000 HETATM 6 Ag -5.08634 4.47659 -1.66565 0 1 0 0.00000 HETATM 7 Ag -0.88170 -0.34819 -4.79803 0 1 0 0.00000 HETATM 8 Ag -0.03308 3.84065 2.23530 0 1 0 0.00000 HETATM 9 Ag 1.06433 1.53854 -3.79943 0 1 0 0.00000 HETATM 10 Ag -2.54382 4.78041 -2.88690 0 1 0 0.00000 HETATM 11 Ag -0.44427 1.75099 -1.34745 0 1 0 0.00000 HETATM 12 Ag 2.31070 1.05171 -1.26095 0 1 0 0.00000 HETATM 13 Ag 2.70246 4.66598 2.04064 0 1 0 0.00000 HETATM 14 Ag 1.46003 3.59378 -0.25669 0 1 0 0.00000 HETATM 15 Ag -1.29489 4.27505 -0.35065 0 1 0 0.00000 HETATM 16 Ag 0.22405 4.10872 -2.80737 0 1 0 0.00000 HETATM 17 Ag 4.17453 4.44555 -0.34887 0 1 0 0.00000 HETATM 18 Ag 3.81383 0.80568 -3.68215 0 1 0 0.00000 HETATM 19 Ag 0.79007 1.28405 1.24609 0 1 0 0.00000 HETATM 20 Ag 2.97512 3.39143 -2.69386 0 1 0 0.00000 HETATM 21 Ag 0.61447 6.13117 0.71705 0 1 0 0.00000 HETATM 22 Ag -0.63338 6.58777 -1.74645 0 1 0 0.00000 HETATM 23 Ag 2.10329 5.90128 -1.64976 0 1 0 0.00000 HETATM 24 Ag -1.97978 5.83856 1.85048 0 1 0 0.00000 HETATM 25 Ag -3.20620 6.30929 -0.63098 0 1 0 0.00000 HETATM 26 Ag 6.18104 2.94123 0.99689 0 1 0 0.00000 HETATM 27 Ag 4.72304 3.16465 3.38192 0 1 0 0.00000 HETATM 28 Ag 2.03864 2.35599 3.58404 0 1 0 0.00000 HETATM 29 Ag 3.51687 2.10663 1.10191 0 1 0 0.00000 HETATM 30 Ag 4.33329 -0.44045 0.13390 0 1 0 0.00000 HETATM 31 Ag 5.57525 0.61433 2.48685 0 1 0 0.00000 HETATM 32 Ag 6.98451 0.40119 0.06658 0 1 0 0.00000 HETATM 33 Ag 5.03779 1.91080 -1.35756 0 1 0 0.00000 HETATM 34 Ag 5.84031 -0.67937 -2.29732 0 1 0 0.00000 HETATM 35 Ag 4.07976 0.83841 4.85190 0 1 0 0.00000 HETATM 36 Ag -0.69762 1.50330 3.73474 0 1 0 0.00000 HETATM 37 Ag -3.31729 1.16898 4.79960 0 1 0 0.00000 HETATM 38 Ag -3.92863 4.02821 0.86979 0 1 0 0.00000 HETATM 39 Ag -2.66776 3.53235 3.37023 0 1 0 0.00000 HETATM 40 Ag -1.96400 1.97882 1.15703 0 1 0 0.00000 HETATM 41 Ag 2.84003 -0.21671 2.59500 0 1 0 0.00000 HETATM 42 Ag 1.37551 -0.00470 5.06322 0 1 0 0.00000 HETATM 43 Ag -1.34360 -0.83582 5.21366 0 1 0 0.00000 HETATM 44 Ag 3.13787 -1.51903 -2.19948 0 1 0 0.00000 HETATM 45 Ag 4.90190 -2.13682 2.33326 0 1 0 0.00000 HETATM 46 Ag 3.66457 -3.28637 0.01878 0 1 0 0.00000 HETATM 47 Ag 2.18730 -3.06643 2.44477 0 1 0 0.00000 HETATM 48 Ag 6.34019 -2.35390 -0.10091 0 1 0 0.00000 HETATM 49 Ag 5.11255 -3.47509 -2.40664 0 1 0 0.00000 HETATM 50 Ag 2.67190 -3.70279 -3.93287 0 1 0 0.00000 HETATM 51 Ag 1.63389 -5.22729 0.64173 0 1 0 0.00000 HETATM 52 Ag 1.16254 -3.44229 -1.49532 0 1 0 0.00000 HETATM 53 Ag 3.12757 -5.41129 -1.76096 0 1 0 0.00000 HETATM 54 Ag 1.89107 -1.05149 -4.71302 0 1 0 0.00000 HETATM 55 Ag 4.61747 -1.76069 -4.59156 0 1 0 0.00000 HETATM 56 Ag -1.60098 -2.75979 -1.58767 0 1 0 0.00000 HETATM 57 Ag -2.37474 -0.11306 -2.37322 0 1 0 0.00000 HETATM 58 Ag 0.67989 -5.60105 -3.16506 0 1 0 0.00000 HETATM 59 Ag -0.09536 -3.01003 -4.05104 0 1 0 0.00000 HETATM 60 Ag 0.38682 -0.80737 -2.30671 0 1 0 0.00000 HETATM 61 Ag -0.33452 -3.21800 0.96606 0 1 0 0.00000 HETATM 62 Ag 1.63879 -1.28376 0.26433 0 1 0 0.00000 HETATM 63 Ag -4.50807 -3.75837 2.94753 0 1 0 0.00000 HETATM 64 Ag -2.56966 -0.37348 2.61830 0 1 0 0.00000 HETATM 65 Ag 0.14791 -1.06109 2.74656 0 1 0 0.00000 HETATM 66 Ag -2.30994 -5.15504 1.63087 0 1 0 0.00000 HETATM 67 Ag 0.17264 -4.96065 3.06355 0 1 0 0.00000 HETATM 68 Ag -0.81982 -5.40805 -0.78615 0 1 0 0.00000 HETATM 69 Ag -4.00746 -1.57801 4.66622 0 1 0 0.00000 HETATM 70 Ag -1.82769 -3.01365 3.45805 0 1 0 0.00000 HETATM 71 Ag 0.70457 -2.80161 4.84505 0 1 0 0.00000 HETATM 72 Ag 3.40263 -1.91225 4.72999 0 1 0 0.00000 HETATM 73 Ag -4.95436 -5.81236 1.18228 0 1 0 0.00000 HETATM 74 Ag -4.57448 1.65274 2.33081 0 1 0 0.00000 HETATM 75 Ag -3.84248 0.09740 0.06387 0 1 0 0.00000 HETATM 76 Ag -4.39426 -2.06186 -1.72672 0 1 0 0.00000 HETATM 77 Ag -6.47274 -0.65336 -0.31333 0 1 0 0.00000 HETATM 78 Ag -5.14873 0.58749 -2.47611 0 1 0 0.00000 HETATM 79 Ag -2.04501 -4.90572 -3.29530 0 1 0 0.00000 HETATM 80 Ag -2.85006 -2.29363 -4.10249 0 1 0 0.00000 HETATM 81 Ag -1.09614 -0.57756 0.16941 0 1 0 0.00000 HETATM 82 Ag -3.10826 -2.53823 0.85699 0 1 0 0.00000 HETATM 83 Ag -3.58799 -4.68524 -0.92261 0 1 0 0.00000 HETATM 84 Ag -5.76473 -3.29111 0.41811 0 1 0 0.00000 HETATM 85 Ag -5.28059 -1.12432 2.19613 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 10 57 6 11 75 ORDER 1 1 1 1 1 1 1 CONECT 2 4 5 10 78 6 1 ORDER 2 1 1 1 1 1 1 CONECT 3 78 6 77 75 38 74 ORDER 3 1 1 1 1 1 1 CONECT 4 7 80 2 5 78 57 ORDER 4 1 1 1 1 1 1 CONECT 5 4 7 2 9 10 ORDER 5 1 1 1 1 1 CONECT 6 2 10 1 25 3 38 ORDER 6 1 1 1 1 1 1 CONECT 7 4 54 5 57 60 ORDER 7 1 1 1 1 1 CONECT 8 21 24 13 36 ORDER 8 1 1 1 1 CONECT 9 54 5 18 16 60 ORDER 9 1 1 1 1 1 CONECT 10 2 5 16 6 1 25 ORDER 10 1 1 1 1 1 1 CONECT 11 16 60 1 12 15 81 ORDER 11 1 1 1 1 1 1 CONECT 12 18 20 33 11 ORDER 12 1 1 1 1 CONECT 13 17 14 29 8 27 28 ORDER 13 1 1 1 1 1 1 CONECT 14 23 15 17 21 19 13 ORDER 14 1 1 1 1 1 1 CONECT 15 22 11 25 14 40 24 ORDER 15 1 1 1 1 1 1 CONECT 16 9 10 20 22 23 11 ORDER 16 1 1 1 1 1 1 CONECT 17 20 23 14 26 29 13 ORDER 17 1 1 1 1 1 1 CONECT 18 54 55 9 44 33 12 ORDER 18 1 1 1 1 1 1 CONECT 19 14 81 40 65 28 ORDER 19 1 1 1 1 1 CONECT 20 16 23 33 12 17 ORDER 20 1 1 1 1 1 CONECT 21 22 23 14 24 8 ORDER 21 1 1 1 1 1 CONECT 22 16 23 25 15 21 ORDER 22 1 1 1 1 1 CONECT 23 16 20 22 17 14 21 ORDER 23 1 1 1 1 1 1 CONECT 24 25 15 21 38 8 39 ORDER 24 1 1 1 1 1 1 CONECT 25 10 22 6 15 38 24 ORDER 25 1 1 1 1 1 1 CONECT 26 33 17 32 29 31 27 ORDER 26 1 1 1 1 1 1 CONECT 27 26 29 13 31 28 35 ORDER 27 1 1 1 1 1 1 CONECT 28 19 13 27 36 35 42 ORDER 28 1 1 1 1 1 1 CONECT 29 17 30 26 13 41 27 ORDER 29 1 1 1 1 1 1 CONECT 30 44 48 32 62 29 45 ORDER 30 1 1 1 1 1 1 CONECT 31 32 26 45 27 35 ORDER 31 1 1 1 1 1 CONECT 32 34 33 48 30 26 31 ORDER 32 1 1 1 1 1 1 CONECT 33 18 20 34 12 32 26 ORDER 33 1 1 1 1 1 1 CONECT 34 55 44 33 48 32 ORDER 34 1 1 1 1 1 CONECT 35 31 41 27 28 72 42 ORDER 35 1 1 1 1 1 1 CONECT 36 8 39 28 37 43 ORDER 36 1 1 1 1 1 CONECT 37 74 64 39 36 69 43 ORDER 37 1 1 1 1 1 1 CONECT 38 6 25 3 40 24 39 ORDER 38 1 1 1 1 1 1 CONECT 39 38 40 24 74 36 37 ORDER 39 1 1 1 1 1 1 CONECT 40 15 38 19 64 39 ORDER 40 1 1 1 1 1 CONECT 41 62 29 45 65 72 35 ORDER 41 1 1 1 1 1 1 CONECT 42 65 28 72 71 35 43 ORDER 42 1 1 1 1 1 1 CONECT 43 70 36 69 37 71 42 ORDER 43 1 1 1 1 1 1 CONECT 44 55 50 18 49 34 30 ORDER 44 1 1 1 1 1 1 CONECT 45 48 46 30 31 41 72 ORDER 45 1 1 1 1 1 1 CONECT 46 49 53 48 62 45 47 ORDER 46 1 1 1 1 1 1 CONECT 47 46 51 67 72 71 ORDER 47 1 1 1 1 1 CONECT 48 49 34 46 32 30 45 ORDER 48 1 1 1 1 1 1 CONECT 49 55 44 53 48 46 ORDER 49 1 1 1 1 1 CONECT 50 55 59 58 44 53 ORDER 50 1 1 1 1 1 CONECT 51 53 52 68 61 47 67 ORDER 51 1 1 1 1 1 1 CONECT 52 58 53 56 62 51 ORDER 52 1 1 1 1 1 CONECT 53 50 58 49 52 46 51 ORDER 53 1 1 1 1 1 1 CONECT 54 7 55 59 9 18 60 ORDER 54 1 1 1 1 1 1 CONECT 55 54 50 18 49 34 44 ORDER 55 1 1 1 1 1 1 CONECT 56 80 79 52 83 81 ORDER 56 1 1 1 1 1 CONECT 57 4 7 80 60 1 ORDER 57 1 1 1 1 1 CONECT 58 59 50 79 53 52 68 ORDER 58 1 1 1 1 1 1 CONECT 59 54 80 50 79 58 60 ORDER 59 1 1 1 1 1 1 CONECT 60 7 54 59 9 57 11 ORDER 60 1 1 1 1 1 1 CONECT 61 68 62 51 66 65 67 ORDER 61 1 1 1 1 1 1 CONECT 62 52 46 30 81 61 41 ORDER 62 1 1 1 1 1 1 CONECT 63 84 82 73 85 70 69 ORDER 63 1 1 1 1 1 1 CONECT 64 82 40 85 65 69 37 ORDER 64 1 1 1 1 1 1 CONECT 65 61 19 41 64 71 42 ORDER 65 1 1 1 1 1 1 CONECT 66 68 82 61 73 67 70 ORDER 66 1 1 1 1 1 1 CONECT 67 51 61 66 47 70 71 ORDER 67 1 1 1 1 1 1 CONECT 68 79 58 83 51 61 66 ORDER 68 1 1 1 1 1 1 CONECT 69 85 64 63 70 37 43 ORDER 69 1 1 1 1 1 1 CONECT 70 66 63 67 69 43 ORDER 70 1 1 1 1 1 CONECT 71 47 65 67 72 42 43 ORDER 71 1 1 1 1 1 1 CONECT 72 45 47 41 71 35 42 ORDER 72 1 1 1 1 1 1 CONECT 73 83 84 66 63 ORDER 73 1 1 1 1 CONECT 74 3 75 39 37 ORDER 74 1 1 1 1 CONECT 75 1 77 3 81 85 74 ORDER 75 1 1 1 1 1 1 CONECT 76 80 78 83 77 84 ORDER 76 1 1 1 1 1 CONECT 77 78 76 3 75 84 85 ORDER 77 1 1 1 1 1 1 CONECT 78 4 2 76 77 3 ORDER 78 1 1 1 1 1 CONECT 79 80 59 58 56 83 68 ORDER 79 1 1 1 1 1 1 CONECT 80 4 59 79 57 76 56 ORDER 80 1 1 1 1 1 1 CONECT 81 56 11 75 62 82 19 ORDER 81 1 1 1 1 1 1 CONECT 82 83 81 84 66 64 63 ORDER 82 1 1 1 1 1 1 CONECT 83 79 76 56 68 82 73 ORDER 83 1 1 1 1 1 1 CONECT 84 76 77 82 73 85 63 ORDER 84 1 1 1 1 1 1 CONECT 85 77 75 84 64 63 69 ORDER 85 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3888767.32 END BIOGRF 200 DESCRP S_11789 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 3.22730 4.62920 -3.16860 0 1 0 0.00000 HETATM 2 Ag 7.10336 -1.36542 -0.29781 0 1 0 0.00000 HETATM 3 Ag 5.50459 0.54424 -1.62563 0 1 0 0.00000 HETATM 4 Ag 4.36447 -1.90472 -0.56534 0 1 0 0.00000 HETATM 5 Ag 6.02702 -3.75449 0.72152 0 1 0 0.00000 HETATM 6 Ag 3.28928 -4.39891 0.47848 0 1 0 0.00000 HETATM 7 Ag 4.31471 5.22078 -0.64326 0 1 0 0.00000 HETATM 8 Ag 4.65149 3.24096 1.34035 0 1 0 0.00000 HETATM 9 Ag 3.49835 2.61053 -1.24913 0 1 0 0.00000 HETATM 10 Ag 6.23124 3.19491 -0.99152 0 1 0 0.00000 HETATM 11 Ag 1.54788 4.73634 -0.90347 0 1 0 0.00000 HETATM 12 Ag -1.04011 -3.79432 3.74692 0 1 0 0.00000 HETATM 13 Ag -4.22696 -0.44923 4.32348 0 1 0 0.00000 HETATM 14 Ag -2.67599 -1.88627 2.42687 0 1 0 0.00000 HETATM 15 Ag -3.65079 -3.19693 4.64716 0 1 0 0.00000 HETATM 16 Ag -1.60456 -1.31103 5.02550 0 1 0 0.00000 HETATM 17 Ag -0.60675 0.03954 2.74747 0 1 0 0.00000 HETATM 18 Ag -2.14580 1.47382 4.63038 0 1 0 0.00000 HETATM 19 Ag 3.18928 1.18724 5.51053 0 1 0 0.00000 HETATM 20 Ag 0.48115 0.61864 5.32777 0 1 0 0.00000 HETATM 21 Ag -3.23346 0.88568 2.03910 0 1 0 0.00000 HETATM 22 Ag -4.74347 2.32076 3.87277 0 1 0 0.00000 HETATM 23 Ag 2.96046 3.24471 3.62144 0 1 0 0.00000 HETATM 24 Ag -2.79016 5.53071 0.73360 0 1 0 0.00000 HETATM 25 Ag -0.91657 2.10692 0.79542 0 1 0 0.00000 HETATM 26 Ag -5.04386 4.35548 1.95456 0 1 0 0.00000 HETATM 27 Ag 0.18782 2.70639 3.41724 0 1 0 0.00000 HETATM 28 Ag -0.13131 4.74524 1.42448 0 1 0 0.00000 HETATM 29 Ag -2.44583 3.56114 2.71301 0 1 0 0.00000 HETATM 30 Ag 2.66734 5.25528 1.64602 0 1 0 0.00000 HETATM 31 Ag 1.05326 -1.87250 4.08834 0 1 0 0.00000 HETATM 32 Ag 5.51835 -1.30669 2.03152 0 1 0 0.00000 HETATM 33 Ag 4.37507 -3.72146 3.00716 0 1 0 0.00000 HETATM 34 Ag 2.71610 -1.88895 1.74447 0 1 0 0.00000 HETATM 35 Ag 3.82521 0.57933 0.70925 0 1 0 0.00000 HETATM 36 Ag 6.55959 1.13451 0.93712 0 1 0 0.00000 HETATM 37 Ag 1.04736 0.00293 0.39434 0 1 0 0.00000 HETATM 38 Ag 1.60936 -4.32138 2.77252 0 1 0 0.00000 HETATM 39 Ag -0.05336 -2.45690 1.46543 0 1 0 0.00000 HETATM 40 Ag 2.13294 0.60220 3.00659 0 1 0 0.00000 HETATM 41 Ag 3.81398 -1.26724 4.30544 0 1 0 0.00000 HETATM 42 Ag 4.90853 1.17552 3.28717 0 1 0 0.00000 HETATM 43 Ag 1.84480 2.67095 1.06039 0 1 0 0.00000 HETATM 44 Ag -2.32452 3.52241 -3.71673 0 1 0 0.00000 HETATM 45 Ag -1.22782 4.16393 -1.17519 0 1 0 0.00000 HETATM 46 Ag -3.14766 0.85800 -4.41674 0 1 0 0.00000 HETATM 47 Ag -2.27120 -3.67148 -3.70485 0 1 0 0.00000 HETATM 48 Ag -0.06336 -0.60842 -2.23020 0 1 0 0.00000 HETATM 49 Ag -1.18722 -1.22027 -4.78660 0 1 0 0.00000 HETATM 50 Ag 3.29055 -2.53035 -3.19444 0 1 0 0.00000 HETATM 51 Ag 0.51204 -3.11325 -3.47679 0 1 0 0.00000 HETATM 52 Ag -0.57415 -5.48547 -2.32585 0 1 0 0.00000 HETATM 53 Ag 4.38639 -0.05425 -4.16109 0 1 0 0.00000 HETATM 54 Ag 2.70645 -0.03620 -1.92580 0 1 0 0.00000 HETATM 55 Ag 0.73132 2.06879 -1.56603 0 1 0 0.00000 HETATM 56 Ag -2.03253 1.48228 -1.84746 0 1 0 0.00000 HETATM 57 Ag 5.14674 2.60596 -3.51891 0 1 0 0.00000 HETATM 58 Ag 0.46321 4.09074 -3.48018 0 1 0 0.00000 HETATM 59 Ag 2.41571 2.02298 -3.88479 0 1 0 0.00000 HETATM 60 Ag -0.36974 1.45885 -4.17839 0 1 0 0.00000 HETATM 61 Ag 1.60320 -0.63811 -4.50611 0 1 0 0.00000 HETATM 62 Ag 6.02270 -1.95577 -2.82699 0 1 0 0.00000 HETATM 63 Ag 4.94652 -4.34432 -1.80636 0 1 0 0.00000 HETATM 64 Ag 1.61146 -2.51320 -0.87145 0 1 0 0.00000 HETATM 65 Ag 2.19351 -4.95537 -2.09643 0 1 0 0.00000 HETATM 66 Ag -3.93903 -1.79563 -5.01349 0 1 0 0.00000 HETATM 67 Ag -3.86930 4.94374 -1.80171 0 1 0 0.00000 HETATM 68 Ag -1.15507 -3.05164 -1.13377 0 1 0 0.00000 HETATM 69 Ag -4.72942 -3.80449 2.16489 0 1 0 0.00000 HETATM 70 Ag -2.13432 -4.42632 1.20225 0 1 0 0.00000 HETATM 71 Ag -5.77704 -4.36056 -0.34207 0 1 0 0.00000 HETATM 72 Ag -3.76914 -2.48431 -0.13880 0 1 0 0.00000 HETATM 73 Ag -4.89806 -3.11396 -2.69934 0 1 0 0.00000 HETATM 74 Ag -6.40339 -1.63873 -0.78361 0 1 0 0.00000 HETATM 75 Ag -5.34615 -1.06007 1.78651 0 1 0 0.00000 HETATM 76 Ag -5.45438 -0.33289 -3.13348 0 1 0 0.00000 HETATM 77 Ag -1.70095 -0.54724 0.11088 0 1 0 0.00000 HETATM 78 Ag 0.50289 -4.95168 0.21882 0 1 0 0.00000 HETATM 79 Ag -3.21335 -4.98350 -1.36106 0 1 0 0.00000 HETATM 80 Ag -4.67278 2.34222 -2.52719 0 1 0 0.00000 HETATM 81 Ag -2.83672 -1.18252 -2.49121 0 1 0 0.00000 HETATM 82 Ag -5.87569 1.71736 1.36458 0 1 0 0.00000 HETATM 83 Ag -6.90098 1.14273 -1.19479 0 1 0 0.00000 HETATM 84 Ag -4.34052 0.28015 -0.56141 0 1 0 0.00000 HETATM 85 Ag -6.11803 3.76940 -0.56868 0 1 0 0.00000 HETATM 86 Ag -3.54145 2.91296 0.09096 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 59 57 58 9 11 7 ORDER 1 1 1 1 1 1 1 CONECT 2 62 3 4 5 36 32 ORDER 2 1 1 1 1 1 1 CONECT 3 53 57 62 10 2 36 ORDER 3 1 1 1 1 1 1 CONECT 4 62 63 64 2 5 34 ORDER 4 1 1 1 1 1 1 CONECT 5 63 4 2 6 32 33 ORDER 5 1 1 1 1 1 1 CONECT 6 65 63 78 5 38 33 ORDER 6 1 1 1 1 1 1 CONECT 7 1 9 10 11 8 30 ORDER 7 1 1 1 1 1 1 CONECT 8 10 7 35 30 42 23 ORDER 8 1 1 1 1 1 1 CONECT 9 57 1 55 10 7 35 ORDER 9 1 1 1 1 1 1 CONECT 10 57 3 9 7 36 8 ORDER 10 1 1 1 1 1 1 CONECT 11 1 55 45 7 43 30 ORDER 11 1 1 1 1 1 1 CONECT 12 70 39 14 31 15 16 ORDER 12 1 1 1 1 1 1 CONECT 13 75 21 14 18 15 16 ORDER 13 1 1 1 1 1 1 CONECT 14 77 69 17 12 13 15 ORDER 14 1 1 1 1 1 1 CONECT 15 69 14 12 13 16 ORDER 15 1 1 1 1 1 CONECT 16 17 12 13 18 15 20 ORDER 16 1 1 1 1 1 1 CONECT 17 21 14 40 18 16 ORDER 17 1 1 1 1 1 CONECT 18 29 17 22 13 16 20 ORDER 18 1 1 1 1 1 1 CONECT 19 40 42 23 41 20 ORDER 19 1 1 1 1 1 CONECT 20 40 27 31 18 16 19 ORDER 20 1 1 1 1 1 1 CONECT 21 86 82 17 22 13 ORDER 21 1 1 1 1 1 CONECT 22 82 26 21 29 18 ORDER 22 1 1 1 1 1 CONECT 23 43 8 30 40 27 19 ORDER 23 1 1 1 1 1 1 CONECT 24 67 45 86 28 26 29 ORDER 24 1 1 1 1 1 1 CONECT 25 45 43 28 29 ORDER 25 1 1 1 1 CONECT 26 85 86 24 82 29 22 ORDER 26 1 1 1 1 1 1 CONECT 27 43 28 29 23 20 ORDER 27 1 1 1 1 1 CONECT 28 24 25 30 27 ORDER 28 1 1 1 1 CONECT 29 24 25 26 27 22 18 ORDER 29 1 1 1 1 1 1 CONECT 30 11 7 43 8 28 23 ORDER 30 1 1 1 1 1 1 CONECT 31 38 12 41 20 ORDER 31 1 1 1 1 CONECT 32 2 35 5 33 42 41 ORDER 32 1 1 1 1 1 1 CONECT 33 6 5 34 32 38 41 ORDER 33 1 1 1 1 1 1 CONECT 34 4 37 39 33 41 ORDER 34 1 1 1 1 1 CONECT 35 9 37 36 8 32 ORDER 35 1 1 1 1 1 CONECT 36 3 10 2 35 42 ORDER 36 1 1 1 1 1 CONECT 37 54 55 77 35 43 34 ORDER 37 1 1 1 1 1 1 CONECT 38 78 6 39 33 31 ORDER 38 1 1 1 1 1 CONECT 39 64 78 34 38 12 ORDER 39 1 1 1 1 1 CONECT 40 17 42 23 41 20 19 ORDER 40 1 1 1 1 1 1 CONECT 41 34 32 40 33 31 19 ORDER 41 1 1 1 1 1 1 CONECT 42 36 8 32 40 19 ORDER 42 1 1 1 1 1 CONECT 43 11 37 25 30 27 23 ORDER 43 1 1 1 1 1 1 CONECT 44 46 60 58 56 67 45 ORDER 44 1 1 1 1 1 1 CONECT 45 44 58 67 11 24 25 ORDER 45 1 1 1 1 1 1 CONECT 46 66 60 44 80 81 ORDER 46 1 1 1 1 1 CONECT 47 66 51 73 81 52 79 ORDER 47 1 1 1 1 1 1 CONECT 48 61 60 51 54 ORDER 48 1 1 1 1 CONECT 49 66 61 60 51 81 ORDER 49 1 1 1 1 1 CONECT 50 61 51 62 54 63 64 ORDER 50 1 1 1 1 1 1 CONECT 51 49 47 50 52 48 65 ORDER 51 1 1 1 1 1 1 CONECT 52 47 51 65 68 78 ORDER 52 1 1 1 1 1 CONECT 53 61 57 62 54 3 ORDER 53 1 1 1 1 1 CONECT 54 61 53 59 50 48 37 ORDER 54 1 1 1 1 1 1 CONECT 55 59 58 56 9 11 37 ORDER 55 1 1 1 1 1 1 CONECT 56 44 80 55 77 ORDER 56 1 1 1 1 CONECT 57 53 59 1 3 9 10 ORDER 57 1 1 1 1 1 1 CONECT 58 60 44 1 55 45 ORDER 58 1 1 1 1 1 CONECT 59 61 60 57 1 54 55 ORDER 59 1 1 1 1 1 1 CONECT 60 49 46 59 44 58 48 ORDER 60 1 1 1 1 1 1 CONECT 61 49 53 59 50 48 54 ORDER 61 1 1 1 1 1 1 CONECT 62 53 50 63 3 4 2 ORDER 62 1 1 1 1 1 1 CONECT 63 50 62 65 4 6 5 ORDER 63 1 1 1 1 1 1 CONECT 64 50 65 68 4 39 ORDER 64 1 1 1 1 1 CONECT 65 51 52 63 64 78 6 ORDER 65 1 1 1 1 1 1 CONECT 66 49 46 47 76 73 81 ORDER 66 1 1 1 1 1 1 CONECT 67 44 80 45 85 86 24 ORDER 67 1 1 1 1 1 1 CONECT 68 52 79 64 77 ORDER 68 1 1 1 1 CONECT 69 71 72 70 75 14 15 ORDER 69 1 1 1 1 1 1 CONECT 70 79 78 69 12 ORDER 70 1 1 1 1 CONECT 71 73 79 74 72 69 ORDER 71 1 1 1 1 1 CONECT 72 79 74 71 77 69 ORDER 72 1 1 1 1 1 CONECT 73 66 47 81 79 74 71 ORDER 73 1 1 1 1 1 1 CONECT 74 76 73 84 71 72 75 ORDER 74 1 1 1 1 1 1 CONECT 75 74 69 13 ORDER 75 1 1 1 CONECT 76 66 80 81 83 74 84 ORDER 76 1 1 1 1 1 1 CONECT 77 56 68 84 72 37 14 ORDER 77 1 1 1 1 1 1 CONECT 78 52 65 6 70 39 38 ORDER 78 1 1 1 1 1 1 CONECT 79 47 73 68 71 72 70 ORDER 79 1 1 1 1 1 1 CONECT 80 46 76 56 67 83 85 ORDER 80 1 1 1 1 1 1 CONECT 81 66 49 46 47 76 73 ORDER 81 1 1 1 1 1 1 CONECT 82 83 85 84 26 21 22 ORDER 82 1 1 1 1 1 1 CONECT 83 76 80 85 84 82 ORDER 83 1 1 1 1 1 CONECT 84 76 83 74 86 77 82 ORDER 84 1 1 1 1 1 1 CONECT 85 80 67 83 86 82 26 ORDER 85 1 1 1 1 1 1 CONECT 86 67 85 84 24 26 21 ORDER 86 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3934525.35 END BIOGRF 200 DESCRP S_12053 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.98123 -6.15654 -0.92600 0 1 0 0.00000 HETATM 2 Ag 0.62354 -5.36559 -3.32287 0 1 0 0.00000 HETATM 3 Ag 2.32490 -5.69767 1.84984 0 1 0 0.00000 HETATM 4 Ag 1.08747 -3.57555 -1.28885 0 1 0 0.00000 HETATM 5 Ag 1.54241 -4.10722 4.14131 0 1 0 0.00000 HETATM 6 Ag 2.63892 -0.90158 -5.75931 0 1 0 0.00000 HETATM 7 Ag 2.35952 -1.84655 -3.18687 0 1 0 0.00000 HETATM 8 Ag 1.87794 -3.64745 -5.20454 0 1 0 0.00000 HETATM 9 Ag 1.46816 0.26941 5.80968 0 1 0 0.00000 HETATM 10 Ag 0.61833 -1.46545 3.74102 0 1 0 0.00000 HETATM 11 Ag 0.67469 -2.42916 6.27864 0 1 0 0.00000 HETATM 12 Ag 2.18009 3.00308 5.16854 0 1 0 0.00000 HETATM 13 Ag 1.38344 1.27571 3.19414 0 1 0 0.00000 HETATM 14 Ag 3.90557 0.84547 4.43269 0 1 0 0.00000 HETATM 15 Ag 3.14223 -1.90042 5.00457 0 1 0 0.00000 HETATM 16 Ag 0.61407 -0.47086 1.12658 0 1 0 0.00000 HETATM 17 Ag 3.55411 3.09324 2.66340 0 1 0 0.00000 HETATM 18 Ag 2.72931 1.32112 0.60410 0 1 0 0.00000 HETATM 19 Ag 1.45801 -3.12160 1.51586 0 1 0 0.00000 HETATM 20 Ag 3.97930 -3.54284 2.76167 0 1 0 0.00000 HETATM 21 Ag 3.08841 -0.89958 2.38000 0 1 0 0.00000 HETATM 22 Ag 5.54848 -1.32327 3.60911 0 1 0 0.00000 HETATM 23 Ag 4.91921 -2.29046 -1.99576 0 1 0 0.00000 HETATM 24 Ag 4.50788 -0.07286 -3.78814 0 1 0 0.00000 HETATM 25 Ag 3.28218 -4.49790 -2.86152 0 1 0 0.00000 HETATM 26 Ag 2.77957 -1.38516 -0.42063 0 1 0 0.00000 HETATM 27 Ag 4.49833 -2.74935 -4.75237 0 1 0 0.00000 HETATM 28 Ag 3.67791 -4.05195 -0.05411 0 1 0 0.00000 HETATM 29 Ag 5.27431 -1.81004 0.82889 0 1 0 0.00000 HETATM 30 Ag 4.91940 0.42092 -0.98721 0 1 0 0.00000 HETATM 31 Ag 2.33487 0.83241 -2.22950 0 1 0 0.00000 HETATM 32 Ag 4.80166 3.11963 0.04230 0 1 0 0.00000 HETATM 33 Ag 5.22299 0.88612 1.85030 0 1 0 0.00000 HETATM 34 Ag 2.23613 3.49752 -1.17525 0 1 0 0.00000 HETATM 35 Ag 4.42706 2.63904 -2.77205 0 1 0 0.00000 HETATM 36 Ag 1.78741 5.18527 3.40805 0 1 0 0.00000 HETATM 37 Ag 3.08481 5.28027 0.84691 0 1 0 0.00000 HETATM 38 Ag 4.30856 5.27882 -1.72596 0 1 0 0.00000 HETATM 39 Ag 1.64564 6.18576 -1.49362 0 1 0 0.00000 HETATM 40 Ag 0.96487 3.47167 1.41532 0 1 0 0.00000 HETATM 41 Ag -1.11809 0.71420 4.64690 0 1 0 0.00000 HETATM 42 Ag 0.41074 6.15726 1.10354 0 1 0 0.00000 HETATM 43 Ag 2.59066 1.80324 -4.81170 0 1 0 0.00000 HETATM 44 Ag 2.48119 4.51163 -3.74581 0 1 0 0.00000 HETATM 45 Ag 0.37701 0.00573 -4.34613 0 1 0 0.00000 HETATM 46 Ag 0.21999 -0.94804 -1.67691 0 1 0 0.00000 HETATM 47 Ag -0.20903 -5.32958 0.63976 0 1 0 0.00000 HETATM 48 Ag -0.39133 -2.76260 -3.76501 0 1 0 0.00000 HETATM 49 Ag -2.45910 -1.82524 -2.04330 0 1 0 0.00000 HETATM 50 Ag -1.72332 0.91975 -2.61547 0 1 0 0.00000 HETATM 51 Ag -2.42815 -0.83639 -4.67243 0 1 0 0.00000 HETATM 52 Ag -3.02270 -4.55407 0.88462 0 1 0 0.00000 HETATM 53 Ag -3.14408 -3.55609 -4.02560 0 1 0 0.00000 HETATM 54 Ag -1.64812 -4.52426 -1.75907 0 1 0 0.00000 HETATM 55 Ag -1.85701 -1.04804 2.52848 0 1 0 0.00000 HETATM 56 Ag -1.04002 -3.74993 2.93735 0 1 0 0.00000 HETATM 57 Ag -1.04828 -2.69193 0.30908 0 1 0 0.00000 HETATM 58 Ag -3.85058 -2.89146 3.14690 0 1 0 0.00000 HETATM 59 Ag -4.16836 1.38139 -3.87187 0 1 0 0.00000 HETATM 60 Ag -1.64931 1.90252 -5.16020 0 1 0 0.00000 HETATM 61 Ag -1.79790 -0.06561 -0.04276 0 1 0 0.00000 HETATM 62 Ag -4.19531 0.36069 -1.25721 0 1 0 0.00000 HETATM 63 Ag -4.92953 -1.40720 -3.29677 0 1 0 0.00000 HETATM 64 Ag -6.59552 0.78805 -2.45752 0 1 0 0.00000 HETATM 65 Ag -3.77292 -1.86204 0.53592 0 1 0 0.00000 HETATM 66 Ag -6.29356 1.28238 0.35612 0 1 0 0.00000 HETATM 67 Ag -5.85885 -0.98266 2.18064 0 1 0 0.00000 HETATM 68 Ag -5.73788 -3.64905 1.10819 0 1 0 0.00000 HETATM 69 Ag -1.85130 -2.03539 5.10666 0 1 0 0.00000 HETATM 70 Ag -4.47928 -3.66974 -1.48192 0 1 0 0.00000 HETATM 71 Ag -6.25152 -1.45773 -0.68825 0 1 0 0.00000 HETATM 72 Ag 0.35597 2.71251 -3.28117 0 1 0 0.00000 HETATM 73 Ag -2.54023 2.55794 -0.36502 0 1 0 0.00000 HETATM 74 Ag -0.18768 5.40296 -3.49392 0 1 0 0.00000 HETATM 75 Ag -2.42905 3.63055 -2.98886 0 1 0 0.00000 HETATM 76 Ag 0.17730 1.72896 -0.63338 0 1 0 0.00000 HETATM 77 Ag -1.81813 4.40486 1.68295 0 1 0 0.00000 HETATM 78 Ag -0.51829 4.44787 -0.93070 0 1 0 0.00000 HETATM 79 Ag -4.60141 3.50343 1.26299 0 1 0 0.00000 HETATM 80 Ag -3.28019 5.16094 -0.69218 0 1 0 0.00000 HETATM 81 Ag -5.83005 1.71953 3.16336 0 1 0 0.00000 HETATM 82 Ag -1.12535 1.68101 1.98363 0 1 0 0.00000 HETATM 83 Ag -0.35893 3.44881 4.00382 0 1 0 0.00000 HETATM 84 Ag -3.14828 2.61837 3.63869 0 1 0 0.00000 HETATM 85 Ag -3.81822 0.83007 1.56777 0 1 0 0.00000 HETATM 86 Ag -4.98990 3.02819 -1.60987 0 1 0 0.00000 HETATM 87 Ag -3.89903 -0.15227 4.19731 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 25 4 28 47 3 ORDER 1 1 1 1 1 1 1 CONECT 2 8 48 25 54 4 1 ORDER 2 1 1 1 1 1 1 CONECT 3 1 28 47 19 20 ORDER 3 1 1 1 1 1 CONECT 4 2 25 46 1 57 19 ORDER 4 1 1 1 1 1 1 CONECT 5 19 20 56 10 15 11 ORDER 5 1 1 1 1 1 1 CONECT 6 8 43 27 45 24 7 ORDER 6 1 1 1 1 1 1 CONECT 7 6 8 27 25 46 26 ORDER 7 1 1 1 1 1 1 CONECT 8 6 27 48 2 7 25 ORDER 8 1 1 1 1 1 1 CONECT 9 13 10 14 41 15 11 ORDER 9 1 1 1 1 1 1 CONECT 10 16 55 5 15 9 11 ORDER 10 1 1 1 1 1 1 CONECT 11 10 5 15 69 9 ORDER 11 1 1 1 1 1 CONECT 12 17 13 36 83 14 ORDER 12 1 1 1 1 1 CONECT 13 16 40 82 14 12 9 ORDER 13 1 1 1 1 1 1 CONECT 14 21 17 13 22 12 9 ORDER 14 1 1 1 1 1 1 CONECT 15 21 22 10 5 9 11 ORDER 15 1 1 1 1 1 1 CONECT 16 26 61 19 21 13 10 ORDER 16 1 1 1 1 1 1 CONECT 17 18 33 36 14 12 ORDER 17 1 1 1 1 1 CONECT 18 30 32 33 17 ORDER 18 1 1 1 1 CONECT 19 4 57 16 3 20 5 ORDER 19 1 1 1 1 1 1 CONECT 20 28 19 3 21 22 5 ORDER 20 1 1 1 1 1 1 CONECT 21 29 16 20 22 14 15 ORDER 21 1 1 1 1 1 1 CONECT 22 29 33 21 20 14 15 ORDER 22 1 1 1 1 1 1 CONECT 23 27 24 26 29 ORDER 23 1 1 1 1 CONECT 24 6 43 27 31 23 30 ORDER 24 1 1 1 1 1 1 CONECT 25 8 27 2 7 4 1 ORDER 25 1 1 1 1 1 1 CONECT 26 7 23 30 28 29 16 ORDER 26 1 1 1 1 1 1 CONECT 27 6 8 24 7 25 23 ORDER 27 1 1 1 1 1 1 CONECT 28 1 26 29 3 20 ORDER 28 1 1 1 1 1 CONECT 29 23 26 28 33 21 22 ORDER 29 1 1 1 1 1 1 CONECT 30 24 26 32 18 33 ORDER 30 1 1 1 1 1 CONECT 31 43 24 35 46 76 ORDER 31 1 1 1 1 1 CONECT 32 35 38 30 18 37 ORDER 32 1 1 1 1 1 CONECT 33 30 18 29 17 22 ORDER 33 1 1 1 1 1 CONECT 34 44 35 38 39 76 37 ORDER 34 1 1 1 1 1 1 CONECT 35 43 44 31 38 34 32 ORDER 35 1 1 1 1 1 1 CONECT 36 37 42 40 17 83 12 ORDER 36 1 1 1 1 1 1 CONECT 37 38 34 32 42 40 36 ORDER 37 1 1 1 1 1 1 CONECT 38 44 35 39 34 32 37 ORDER 38 1 1 1 1 1 1 CONECT 39 44 74 38 34 78 42 ORDER 39 1 1 1 1 1 1 CONECT 40 76 37 42 82 13 36 ORDER 40 1 1 1 1 1 1 CONECT 41 82 83 69 9 ORDER 41 1 1 1 1 CONECT 42 39 78 37 40 77 36 ORDER 42 1 1 1 1 1 1 CONECT 43 6 45 24 72 35 31 ORDER 43 1 1 1 1 1 1 CONECT 44 74 72 35 38 39 34 ORDER 44 1 1 1 1 1 1 CONECT 45 6 60 43 46 ORDER 45 1 1 1 1 CONECT 46 45 48 7 31 4 61 ORDER 46 1 1 1 1 1 1 CONECT 47 54 1 57 52 3 56 ORDER 47 1 1 1 1 1 1 CONECT 48 8 53 2 46 ORDER 48 1 1 1 1 CONECT 49 51 53 63 54 70 ORDER 49 1 1 1 1 1 CONECT 50 60 51 59 72 75 ORDER 50 1 1 1 1 1 CONECT 51 60 53 59 63 50 49 ORDER 51 1 1 1 1 1 1 CONECT 52 70 57 47 68 58 ORDER 52 1 1 1 1 1 CONECT 53 51 48 63 49 54 70 ORDER 53 1 1 1 1 1 1 CONECT 54 53 2 49 57 47 ORDER 54 1 1 1 1 1 CONECT 55 56 58 10 87 69 ORDER 55 1 1 1 1 1 CONECT 56 47 55 5 69 ORDER 56 1 1 1 1 CONECT 57 54 4 47 52 19 ORDER 57 1 1 1 1 1 CONECT 58 65 52 68 55 69 ORDER 58 1 1 1 1 1 CONECT 59 60 51 50 64 86 ORDER 59 1 1 1 1 1 CONECT 60 51 45 59 72 75 50 ORDER 60 1 1 1 1 1 1 CONECT 61 46 62 76 65 16 85 ORDER 61 1 1 1 1 1 1 CONECT 62 63 64 86 71 61 66 ORDER 62 1 1 1 1 1 1 CONECT 63 51 53 64 49 62 71 ORDER 63 1 1 1 1 1 1 CONECT 64 59 63 86 62 71 66 ORDER 64 1 1 1 1 1 1 CONECT 65 70 71 61 68 67 58 ORDER 65 1 1 1 1 1 1 CONECT 66 64 86 62 71 85 81 ORDER 66 1 1 1 1 1 1 CONECT 67 65 68 85 81 87 ORDER 67 1 1 1 1 1 CONECT 68 70 71 65 52 67 58 ORDER 68 1 1 1 1 1 1 CONECT 69 55 56 58 87 41 11 ORDER 69 1 1 1 1 1 1 CONECT 70 53 49 65 52 68 ORDER 70 1 1 1 1 1 CONECT 71 63 64 62 66 65 68 ORDER 71 1 1 1 1 1 1 CONECT 72 60 43 44 74 50 76 ORDER 72 1 1 1 1 1 1 CONECT 73 75 86 78 80 79 77 ORDER 73 1 1 1 1 1 1 CONECT 74 44 72 75 39 78 ORDER 74 1 1 1 1 1 CONECT 75 60 74 50 80 73 ORDER 75 1 1 1 1 1 CONECT 76 72 31 34 78 61 40 ORDER 76 1 1 1 1 1 1 CONECT 77 80 73 42 82 83 ORDER 77 1 1 1 1 1 CONECT 78 74 39 80 76 73 42 ORDER 78 1 1 1 1 1 1 CONECT 79 80 73 85 81 84 ORDER 79 1 1 1 1 1 CONECT 80 75 86 78 73 79 77 ORDER 80 1 1 1 1 1 1 CONECT 81 66 79 85 67 84 87 ORDER 81 1 1 1 1 1 1 CONECT 82 40 77 13 84 83 41 ORDER 82 1 1 1 1 1 1 CONECT 83 77 82 36 84 41 12 ORDER 83 1 1 1 1 1 1 CONECT 84 79 82 81 83 87 ORDER 84 1 1 1 1 1 CONECT 85 61 66 79 67 81 87 ORDER 85 1 1 1 1 1 1 CONECT 86 59 64 62 80 73 66 ORDER 86 1 1 1 1 1 1 CONECT 87 85 67 55 81 84 69 ORDER 87 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -3980283.38 END BIOGRF 200 DESCRP S_12350 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -0.95029 1.88528 -3.32638 0 1 0 0.00000 HETATM 2 Ag 1.33036 0.35708 -2.69005 0 1 0 0.00000 HETATM 3 Ag -1.60196 2.21928 -5.97454 0 1 0 0.00000 HETATM 4 Ag 0.72392 0.71522 -5.38823 0 1 0 0.00000 HETATM 5 Ag -0.95021 -0.95236 -3.70300 0 1 0 0.00000 HETATM 6 Ag -3.30511 0.58202 -4.38590 0 1 0 0.00000 HETATM 7 Ag 3.49406 0.58476 -4.40507 0 1 0 0.00000 HETATM 8 Ag 4.51756 -1.94337 -3.35048 0 1 0 0.00000 HETATM 9 Ag 2.31429 -2.14468 -1.64936 0 1 0 0.00000 HETATM 10 Ag 1.33053 -2.50820 1.03577 0 1 0 0.00000 HETATM 11 Ag 4.51768 -3.73687 -1.01819 0 1 0 0.00000 HETATM 12 Ag 1.76399 -1.82840 -4.42602 0 1 0 0.00000 HETATM 13 Ag 2.81652 -4.26806 -3.28227 0 1 0 0.00000 HETATM 14 Ag 0.10794 -3.54027 -2.72241 0 1 0 0.00000 HETATM 15 Ag -2.58414 -2.61916 -2.01400 0 1 0 0.00000 HETATM 16 Ag -0.64219 -6.01641 -1.61538 0 1 0 0.00000 HETATM 17 Ag -4.82558 -3.92763 -3.01999 0 1 0 0.00000 HETATM 18 Ag -2.65183 0.21914 -1.65202 0 1 0 0.00000 HETATM 19 Ag -2.21974 -4.79655 -3.68840 0 1 0 0.00000 HETATM 20 Ag -0.34047 -1.30954 -1.00706 0 1 0 0.00000 HETATM 21 Ag -1.60183 -0.58404 -6.34654 0 1 0 0.00000 HETATM 22 Ag -3.25549 -2.28091 -4.72599 0 1 0 0.00000 HETATM 23 Ag -4.90891 -1.11043 -2.66932 0 1 0 0.00000 HETATM 24 Ag -0.64242 -3.10622 -5.39971 0 1 0 0.00000 HETATM 25 Ag -4.90890 1.76801 -2.28725 0 1 0 0.00000 HETATM 26 Ag -3.25557 3.43458 -3.96744 0 1 0 0.00000 HETATM 27 Ag -0.64262 4.40715 -4.40259 0 1 0 0.00000 HETATM 28 Ag -3.25508 -2.95261 4.33833 0 1 0 0.00000 HETATM 29 Ag -4.90864 -1.75684 2.29639 0 1 0 0.00000 HETATM 30 Ag -2.65168 -1.54046 0.63628 0 1 0 0.00000 HETATM 31 Ag -0.95002 -3.82347 0.03048 0 1 0 0.00000 HETATM 32 Ag -3.30476 -4.08951 1.68899 0 1 0 0.00000 HETATM 33 Ag -4.90875 -2.86512 -0.38736 0 1 0 0.00000 HETATM 34 Ag -1.60134 -5.20432 3.67917 0 1 0 0.00000 HETATM 35 Ag -3.25519 -5.15337 -0.99054 0 1 0 0.00000 HETATM 36 Ag -1.60139 -6.28387 1.06539 0 1 0 0.00000 HETATM 37 Ag -0.94993 -2.73076 2.67631 0 1 0 0.00000 HETATM 38 Ag -4.98643 -0.00013 0.00017 0 1 0 0.00000 HETATM 39 Ag 0.72438 -5.02394 2.07470 0 1 0 0.00000 HETATM 40 Ag 1.76428 -4.74702 -0.63072 0 1 0 0.00000 HETATM 41 Ag 3.49442 -4.10695 1.69598 0 1 0 0.00000 HETATM 42 Ag -3.30502 3.50721 2.69720 0 1 0 0.00000 HETATM 43 Ag -4.90888 2.86677 0.37336 0 1 0 0.00000 HETATM 44 Ag -1.60164 4.06441 4.90939 0 1 0 0.00000 HETATM 45 Ag -2.58430 3.05371 -1.26107 0 1 0 0.00000 HETATM 46 Ag -3.25551 5.23325 0.38795 0 1 0 0.00000 HETATM 47 Ag -4.82587 4.57914 -1.89094 0 1 0 0.00000 HETATM 48 Ag -2.65173 1.32102 1.01606 0 1 0 0.00000 HETATM 49 Ag -4.90873 1.09675 2.67506 0 1 0 0.00000 HETATM 50 Ag -4.82548 -0.65199 4.91149 0 1 0 0.00000 HETATM 51 Ag -2.58397 -0.43474 3.27531 0 1 0 0.00000 HETATM 52 Ag -3.25519 1.71854 4.95832 0 1 0 0.00000 HETATM 53 Ag 0.10817 -0.58756 4.42711 0 1 0 0.00000 HETATM 54 Ag -2.21957 -0.79612 5.99822 0 1 0 0.00000 HETATM 55 Ag -0.64201 -3.12333 5.38994 0 1 0 0.00000 HETATM 56 Ag -0.64209 1.60923 6.01804 0 1 0 0.00000 HETATM 57 Ag -0.34041 -0.21740 1.63758 0 1 0 0.00000 HETATM 58 Ag -0.95002 1.93808 3.29594 0 1 0 0.00000 HETATM 59 Ag -1.60176 5.78831 2.66762 0 1 0 0.00000 HETATM 60 Ag 1.76401 4.74723 0.62941 0 1 0 0.00000 HETATM 61 Ag -0.34055 1.52689 -0.63060 0 1 0 0.00000 HETATM 62 Ag -0.64248 6.22944 0.00989 0 1 0 0.00000 HETATM 63 Ag 1.76392 2.91979 -3.79581 0 1 0 0.00000 HETATM 64 Ag 0.10773 4.12778 -1.70468 0 1 0 0.00000 HETATM 65 Ag 2.31422 2.50073 -1.03280 0 1 0 0.00000 HETATM 66 Ag 4.51744 2.75031 -2.72751 0 1 0 0.00000 HETATM 67 Ag -2.22007 5.59247 -2.30959 0 1 0 0.00000 HETATM 68 Ag 0.72406 4.30876 3.31339 0 1 0 0.00000 HETATM 69 Ag -0.95015 3.68305 1.02681 0 1 0 0.00000 HETATM 70 Ag 2.81623 4.97666 -2.05526 0 1 0 0.00000 HETATM 71 Ag 2.31435 -0.35595 2.68193 0 1 0 0.00000 HETATM 72 Ag 1.82814 0.00004 -0.00009 0 1 0 0.00000 HETATM 73 Ag 1.76425 1.82743 4.42638 0 1 0 0.00000 HETATM 74 Ag 4.51778 -1.92959 3.35809 0 1 0 0.00000 HETATM 75 Ag 1.76441 -2.91868 3.79638 0 1 0 0.00000 HETATM 76 Ag 2.81669 -0.70829 5.33733 0 1 0 0.00000 HETATM 77 Ag 3.98604 -1.54056 0.63615 0 1 0 0.00000 HETATM 78 Ag 1.33042 2.15121 1.65419 0 1 0 0.00000 HETATM 79 Ag 6.13833 2.63424 2.02539 0 1 0 0.00000 HETATM 80 Ag 4.51744 3.87336 -0.00810 0 1 0 0.00000 HETATM 81 Ag 3.49418 3.52251 2.70865 0 1 0 0.00000 HETATM 82 Ag 6.13851 -3.07102 1.26816 0 1 0 0.00000 HETATM 83 Ag 4.51770 0.98702 3.74528 0 1 0 0.00000 HETATM 84 Ag 3.98596 1.32146 1.01600 0 1 0 0.00000 HETATM 85 Ag 3.98589 0.21941 -1.65250 0 1 0 0.00000 HETATM 86 Ag 6.22071 -0.22299 1.68117 0 1 0 0.00000 HETATM 87 Ag 6.22057 1.56790 -0.64765 0 1 0 0.00000 HETATM 88 Ag 6.13819 0.43741 -3.29413 0 1 0 0.00000 HETATM 89 Ag 6.22062 -1.34438 -1.03417 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 3 27 26 5 2 61 ORDER 1 1 1 1 1 1 1 CONECT 2 4 12 7 5 1 ORDER 2 1 1 1 1 1 CONECT 3 21 4 27 6 26 1 ORDER 3 1 1 1 1 1 1 CONECT 4 21 3 12 63 2 ORDER 4 1 1 1 1 1 CONECT 5 21 24 22 1 2 20 ORDER 5 1 1 1 1 1 1 CONECT 6 21 3 22 26 18 ORDER 6 1 1 1 1 1 CONECT 7 12 8 88 66 2 ORDER 7 1 1 1 1 1 CONECT 8 7 88 13 85 9 89 ORDER 8 1 1 1 1 1 1 CONECT 9 8 13 14 11 40 ORDER 9 1 1 1 1 1 CONECT 10 40 31 41 39 37 ORDER 10 1 1 1 1 1 CONECT 11 13 9 89 77 82 41 ORDER 11 1 1 1 1 1 1 CONECT 12 24 4 7 13 2 ORDER 12 1 1 1 1 1 CONECT 13 12 8 14 9 11 40 ORDER 13 1 1 1 1 1 1 CONECT 14 24 19 13 9 16 ORDER 14 1 1 1 1 1 CONECT 15 22 19 17 20 35 33 ORDER 15 1 1 1 1 1 1 CONECT 16 19 14 35 40 31 36 ORDER 16 1 1 1 1 1 1 CONECT 17 22 19 23 15 35 33 ORDER 17 1 1 1 1 1 1 CONECT 18 6 23 25 20 61 ORDER 18 1 1 1 1 1 CONECT 19 24 17 14 15 16 ORDER 19 1 1 1 1 1 CONECT 20 5 15 18 72 31 30 ORDER 20 1 1 1 1 1 1 CONECT 21 3 24 4 22 6 5 ORDER 21 1 1 1 1 1 1 CONECT 22 21 24 6 5 17 15 ORDER 22 1 1 1 1 1 1 CONECT 23 17 18 33 ORDER 23 1 1 1 CONECT 24 21 22 12 5 19 14 ORDER 24 1 1 1 1 1 1 CONECT 25 47 18 45 38 43 ORDER 25 1 1 1 1 1 CONECT 26 3 27 6 1 47 45 ORDER 26 1 1 1 1 1 1 CONECT 27 3 26 63 1 67 64 ORDER 27 1 1 1 1 1 1 CONECT 28 32 37 51 34 50 55 ORDER 28 1 1 1 1 1 1 CONECT 29 38 30 49 50 ORDER 29 1 1 1 1 CONECT 30 20 33 57 32 29 ORDER 30 1 1 1 1 1 CONECT 31 16 20 35 10 36 37 ORDER 31 1 1 1 1 1 1 CONECT 32 35 30 36 34 28 ORDER 32 1 1 1 1 1 CONECT 33 17 23 15 38 30 ORDER 33 1 1 1 1 1 CONECT 34 36 32 39 37 28 55 ORDER 34 1 1 1 1 1 1 CONECT 35 17 15 16 31 36 32 ORDER 35 1 1 1 1 1 1 CONECT 36 16 35 31 32 39 34 ORDER 36 1 1 1 1 1 1 CONECT 37 31 10 57 34 28 55 ORDER 37 1 1 1 1 1 1 CONECT 38 25 33 43 29 49 ORDER 38 1 1 1 1 1 CONECT 39 40 10 36 41 34 75 ORDER 39 1 1 1 1 1 1 CONECT 40 13 9 16 10 39 ORDER 40 1 1 1 1 1 CONECT 41 11 10 82 39 74 ORDER 41 1 1 1 1 1 CONECT 42 46 48 59 44 52 ORDER 42 1 1 1 1 1 CONECT 43 25 47 38 48 ORDER 43 1 1 1 1 CONECT 44 59 42 58 68 52 56 ORDER 44 1 1 1 1 1 1 CONECT 45 26 67 25 47 61 46 ORDER 45 1 1 1 1 1 1 CONECT 46 47 45 62 69 59 42 ORDER 46 1 1 1 1 1 1 CONECT 47 26 67 25 45 43 46 ORDER 47 1 1 1 1 1 1 CONECT 48 61 43 57 49 42 ORDER 48 1 1 1 1 1 CONECT 49 38 48 29 51 50 ORDER 49 1 1 1 1 1 CONECT 50 29 49 51 28 52 54 ORDER 50 1 1 1 1 1 1 CONECT 51 57 49 28 50 52 54 ORDER 51 1 1 1 1 1 1 CONECT 52 42 51 58 44 50 56 ORDER 52 1 1 1 1 1 1 CONECT 53 71 76 55 54 56 ORDER 53 1 1 1 1 1 CONECT 54 51 53 50 55 56 ORDER 54 1 1 1 1 1 CONECT 55 37 34 75 28 53 54 ORDER 55 1 1 1 1 1 1 CONECT 56 58 73 53 44 52 54 ORDER 56 1 1 1 1 1 1 CONECT 57 72 30 48 37 51 58 ORDER 57 1 1 1 1 1 1 CONECT 58 69 57 78 44 52 56 ORDER 58 1 1 1 1 1 1 CONECT 59 62 46 69 42 68 44 ORDER 59 1 1 1 1 1 1 CONECT 60 70 64 65 62 78 68 ORDER 60 1 1 1 1 1 1 CONECT 61 1 18 45 72 48 69 ORDER 61 1 1 1 1 1 1 CONECT 62 67 64 46 60 69 59 ORDER 62 1 1 1 1 1 1 CONECT 63 4 27 70 ORDER 63 1 1 1 CONECT 64 27 67 70 65 62 60 ORDER 64 1 1 1 1 1 1 CONECT 65 66 70 64 80 60 ORDER 65 1 1 1 1 1 CONECT 66 7 88 70 85 65 87 ORDER 66 1 1 1 1 1 1 CONECT 67 27 47 64 45 62 ORDER 67 1 1 1 1 1 CONECT 68 60 78 59 73 44 ORDER 68 1 1 1 1 1 CONECT 69 61 62 46 78 59 58 ORDER 69 1 1 1 1 1 1 CONECT 70 63 66 64 65 80 60 ORDER 70 1 1 1 1 1 1 CONECT 71 74 83 75 53 76 ORDER 71 1 1 1 1 1 CONECT 72 85 20 61 77 84 57 ORDER 72 1 1 1 1 1 1 CONECT 73 78 81 68 76 56 ORDER 73 1 1 1 1 1 CONECT 74 77 82 86 41 71 76 ORDER 74 1 1 1 1 1 1 CONECT 75 39 71 76 55 ORDER 75 1 1 1 1 CONECT 76 71 74 83 75 73 53 ORDER 76 1 1 1 1 1 1 CONECT 77 89 11 72 82 86 74 ORDER 77 1 1 1 1 1 1 CONECT 78 60 69 81 58 68 73 ORDER 78 1 1 1 1 1 1 CONECT 79 87 80 84 86 81 83 ORDER 79 1 1 1 1 1 1 CONECT 80 70 65 87 84 79 81 ORDER 80 1 1 1 1 1 1 CONECT 81 80 78 79 83 73 ORDER 81 1 1 1 1 1 CONECT 82 89 11 77 86 41 74 ORDER 82 1 1 1 1 1 1 CONECT 83 84 86 79 71 81 76 ORDER 83 1 1 1 1 1 1 CONECT 84 87 80 72 86 79 83 ORDER 84 1 1 1 1 1 1 CONECT 85 8 88 66 89 87 72 ORDER 85 1 1 1 1 1 1 CONECT 86 77 84 82 79 74 83 ORDER 86 1 1 1 1 1 1 CONECT 87 88 66 85 80 84 79 ORDER 87 1 1 1 1 1 1 CONECT 88 7 8 66 85 89 87 ORDER 88 1 1 1 1 1 1 CONECT 89 8 88 85 11 77 82 ORDER 89 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -4071793.16 END BIOGRF 200 DESCRP S_12623 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 2.28980 3.80001 2.39103 0 1 0 0.00000 HETATM 2 Ag 3.74429 1.65757 3.84422 0 1 0 0.00000 HETATM 3 Ag -0.15497 1.56494 -0.00001 0 1 0 0.00000 HETATM 4 Ag 0.16988 5.73975 2.34354 0 1 0 0.00000 HETATM 5 Ag 0.64621 4.23149 -0.00009 0 1 0 0.00000 HETATM 6 Ag 0.16984 5.73980 -2.34354 0 1 0 0.00000 HETATM 7 Ag -2.14978 3.53211 -0.00004 0 1 0 0.00000 HETATM 8 Ag -1.38987 6.23342 -0.00001 0 1 0 0.00000 HETATM 9 Ag -1.00187 4.44329 4.66066 0 1 0 0.00000 HETATM 10 Ag 6.37391 0.77726 -0.00013 0 1 0 0.00000 HETATM 11 Ag 6.28911 0.75321 2.87489 0 1 0 0.00000 HETATM 12 Ag 4.93646 2.87638 1.46742 0 1 0 0.00000 HETATM 13 Ag 1.37298 6.84248 -0.00002 0 1 0 0.00000 HETATM 14 Ag 2.64766 2.28514 -0.00012 0 1 0 0.00000 HETATM 15 Ag 4.04666 0.21413 1.44328 0 1 0 0.00000 HETATM 16 Ag 2.28968 3.79991 -2.39131 0 1 0 0.00000 HETATM 17 Ag -0.55542 3.03274 -2.35705 0 1 0 0.00000 HETATM 18 Ag 3.43921 4.92735 -0.00015 0 1 0 0.00000 HETATM 19 Ag 1.48290 1.08876 -2.34532 0 1 0 0.00000 HETATM 20 Ag 6.03676 -1.74882 -1.46814 0 1 0 0.00000 HETATM 21 Ag 6.28908 0.75305 -2.87517 0 1 0 0.00000 HETATM 22 Ag 4.93638 2.87631 -1.46777 0 1 0 0.00000 HETATM 23 Ag 4.04664 0.21404 -1.44347 0 1 0 0.00000 HETATM 24 Ag 3.74420 1.65729 -3.84445 0 1 0 0.00000 HETATM 25 Ag 4.39396 -1.19495 -3.83764 0 1 0 0.00000 HETATM 26 Ag 1.07071 2.51639 -4.70529 0 1 0 0.00000 HETATM 27 Ag 5.62475 -4.19234 0.00005 0 1 0 0.00000 HETATM 28 Ag 1.79662 -0.32967 0.00000 0 1 0 0.00000 HETATM 29 Ag 2.41824 -3.12363 4.66311 0 1 0 0.00000 HETATM 30 Ag -0.88555 0.57732 3.78313 0 1 0 0.00000 HETATM 31 Ag 1.07093 2.51661 4.70515 0 1 0 0.00000 HETATM 32 Ag -1.34766 2.01450 6.07953 0 1 0 0.00000 HETATM 33 Ag -0.55539 3.03278 2.35701 0 1 0 0.00000 HETATM 34 Ag 2.09809 -1.73060 2.34381 0 1 0 0.00000 HETATM 35 Ag 1.48294 1.08890 2.34521 0 1 0 0.00000 HETATM 36 Ag 4.05233 -3.72159 2.36718 0 1 0 0.00000 HETATM 37 Ag 6.03675 -1.74868 1.46796 0 1 0 0.00000 HETATM 38 Ag 4.39409 -1.19470 3.83757 0 1 0 0.00000 HETATM 39 Ag 3.71277 -2.26555 0.00006 0 1 0 0.00000 HETATM 40 Ag 1.73308 -0.31489 4.78569 0 1 0 0.00000 HETATM 41 Ag 2.85312 -4.95143 0.00011 0 1 0 0.00000 HETATM 42 Ag -0.76131 -0.78685 6.17581 0 1 0 0.00000 HETATM 43 Ag 2.09797 -1.73072 -2.34383 0 1 0 0.00000 HETATM 44 Ag 4.05227 -3.72177 -2.36710 0 1 0 0.00000 HETATM 45 Ag 1.73298 -0.31512 -4.78572 0 1 0 0.00000 HETATM 46 Ag -2.59448 5.01148 -2.35070 0 1 0 0.00000 HETATM 47 Ag -4.54749 3.07012 -1.44341 0 1 0 0.00000 HETATM 48 Ag -2.54039 1.09829 -1.44894 0 1 0 0.00000 HETATM 49 Ag -0.88564 0.57723 -3.78312 0 1 0 0.00000 HETATM 50 Ag -1.34791 2.01446 -6.07951 0 1 0 0.00000 HETATM 51 Ag -1.00196 4.44320 -4.66071 0 1 0 0.00000 HETATM 52 Ag -4.54744 3.07021 1.44348 0 1 0 0.00000 HETATM 53 Ag -2.59450 5.01154 2.35080 0 1 0 0.00000 HETATM 54 Ag -2.54026 1.09825 1.44896 0 1 0 0.00000 HETATM 55 Ag -4.13071 5.48067 0.00001 0 1 0 0.00000 HETATM 56 Ag -4.95989 0.59509 0.00009 0 1 0 0.00000 HETATM 57 Ag -4.88499 0.57642 -2.89467 0 1 0 0.00000 HETATM 58 Ag -5.21527 -1.89336 -1.45230 0 1 0 0.00000 HETATM 59 Ag -2.79926 -1.37101 -2.86303 0 1 0 0.00000 HETATM 60 Ag -5.13037 -1.88310 -4.29237 0 1 0 0.00000 HETATM 61 Ag -3.83276 -3.98658 -2.88354 0 1 0 0.00000 HETATM 62 Ag -1.31912 -4.89179 -3.79079 0 1 0 0.00000 HETATM 63 Ag -0.46362 -0.86396 -1.43500 0 1 0 0.00000 HETATM 64 Ag -0.20713 -2.30839 -3.87254 0 1 0 0.00000 HETATM 65 Ag -2.99180 2.56767 -3.83022 0 1 0 0.00000 HETATM 66 Ag -0.76156 -0.78687 -6.17579 0 1 0 0.00000 HETATM 67 Ag -2.62196 -2.77522 -5.24268 0 1 0 0.00000 HETATM 68 Ag -3.28156 0.06386 -5.23589 0 1 0 0.00000 HETATM 69 Ag 2.41802 -3.12389 -4.66308 0 1 0 0.00000 HETATM 70 Ag 1.17579 -4.42483 2.39624 0 1 0 0.00000 HETATM 71 Ag 1.17571 -4.42490 -2.39604 0 1 0 0.00000 HETATM 72 Ag 0.93963 -2.95106 0.00002 0 1 0 0.00000 HETATM 73 Ag -0.20699 -2.30833 3.87258 0 1 0 0.00000 HETATM 74 Ag -2.62175 -2.77520 5.24279 0 1 0 0.00000 HETATM 75 Ag -3.83267 -3.98653 2.88385 0 1 0 0.00000 HETATM 76 Ag -1.31906 -4.89171 3.79091 0 1 0 0.00000 HETATM 77 Ag -5.13022 -1.88305 4.29251 0 1 0 0.00000 HETATM 78 Ag -1.43504 -3.46940 1.43120 0 1 0 0.00000 HETATM 79 Ag -0.02863 -5.56502 0.00010 0 1 0 0.00000 HETATM 80 Ag -2.44083 -6.02369 1.41391 0 1 0 0.00000 HETATM 81 Ag -2.79915 -1.37099 2.86311 0 1 0 0.00000 HETATM 82 Ag -2.99166 2.56771 3.83027 0 1 0 0.00000 HETATM 83 Ag -3.28137 0.06395 5.23599 0 1 0 0.00000 HETATM 84 Ag -0.46351 -0.86387 1.43504 0 1 0 0.00000 HETATM 85 Ag -4.88489 0.57647 2.89477 0 1 0 0.00000 HETATM 86 Ag -1.43502 -3.46947 -1.43116 0 1 0 0.00000 HETATM 87 Ag -2.86658 -1.37439 0.00002 0 1 0 0.00000 HETATM 88 Ag -2.44074 -6.02369 -1.41369 0 1 0 0.00000 HETATM 89 Ag -3.88717 -4.01856 0.00006 0 1 0 0.00000 HETATM 90 Ag -5.21521 -1.89336 1.45239 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 18 4 35 31 ORDER 1 1 1 1 1 CONECT 2 12 35 11 38 ORDER 2 1 1 1 1 CONECT 3 17 5 7 28 54 33 ORDER 3 1 1 1 1 1 1 CONECT 4 5 13 8 53 33 1 ORDER 4 1 1 1 1 1 1 CONECT 5 6 14 13 3 8 4 ORDER 5 1 1 1 1 1 1 CONECT 6 16 17 46 5 13 8 ORDER 6 1 1 1 1 1 1 CONECT 7 46 47 3 8 55 53 ORDER 7 1 1 1 1 1 1 CONECT 8 6 5 7 13 55 4 ORDER 8 1 1 1 1 1 1 CONECT 9 53 33 82 31 32 ORDER 9 1 1 1 1 1 CONECT 10 21 23 15 11 ORDER 10 1 1 1 1 CONECT 11 10 15 12 37 38 2 ORDER 11 1 1 1 1 1 1 CONECT 12 22 18 14 15 11 2 ORDER 12 1 1 1 1 1 1 CONECT 13 6 18 5 8 4 ORDER 13 1 1 1 1 1 CONECT 14 16 22 18 5 12 ORDER 14 1 1 1 1 1 CONECT 15 10 28 12 37 11 38 ORDER 15 1 1 1 1 1 1 CONECT 16 26 6 18 14 ORDER 16 1 1 1 1 CONECT 17 51 49 46 19 6 3 ORDER 17 1 1 1 1 1 1 CONECT 18 16 22 14 13 12 1 ORDER 18 1 1 1 1 1 1 CONECT 19 45 26 24 49 17 ORDER 19 1 1 1 1 1 CONECT 20 25 21 23 27 39 37 ORDER 20 1 1 1 1 1 1 CONECT 21 24 25 20 22 23 10 ORDER 21 1 1 1 1 1 1 CONECT 22 24 21 23 18 14 12 ORDER 22 1 1 1 1 1 1 CONECT 23 25 21 20 22 10 28 ORDER 23 1 1 1 1 1 1 CONECT 24 25 21 19 22 ORDER 24 1 1 1 1 CONECT 25 69 24 21 43 20 23 ORDER 25 1 1 1 1 1 1 CONECT 26 50 45 51 16 19 ORDER 26 1 1 1 1 1 CONECT 27 44 20 39 41 37 36 ORDER 27 1 1 1 1 1 1 CONECT 28 23 63 3 39 84 15 ORDER 28 1 1 1 1 1 1 CONECT 29 34 36 70 38 73 40 ORDER 29 1 1 1 1 1 1 CONECT 30 84 35 33 83 32 42 ORDER 30 1 1 1 1 1 1 CONECT 31 35 1 9 40 32 ORDER 31 1 1 1 1 1 CONECT 32 30 82 9 31 83 42 ORDER 32 1 1 1 1 1 1 CONECT 33 3 4 35 53 30 9 ORDER 33 1 1 1 1 1 1 CONECT 34 36 70 38 73 29 40 ORDER 34 1 1 1 1 1 1 CONECT 35 33 1 30 2 31 40 ORDER 35 1 1 1 1 1 1 CONECT 36 27 39 41 34 29 ORDER 36 1 1 1 1 1 CONECT 37 20 27 39 15 11 38 ORDER 37 1 1 1 1 1 1 CONECT 38 15 37 34 11 2 29 ORDER 38 1 1 1 1 1 1 CONECT 39 44 20 28 27 37 36 ORDER 39 1 1 1 1 1 1 CONECT 40 34 35 29 31 42 ORDER 40 1 1 1 1 1 CONECT 41 44 72 27 36 ORDER 41 1 1 1 1 CONECT 42 30 73 40 83 74 32 ORDER 42 1 1 1 1 1 1 CONECT 43 45 69 64 25 71 44 ORDER 43 1 1 1 1 1 1 CONECT 44 69 43 27 39 41 ORDER 44 1 1 1 1 1 CONECT 45 66 26 69 19 43 ORDER 45 1 1 1 1 1 CONECT 46 51 65 17 6 7 55 ORDER 46 1 1 1 1 1 1 CONECT 47 65 48 7 55 56 52 ORDER 47 1 1 1 1 1 1 CONECT 48 65 57 47 56 ORDER 48 1 1 1 1 CONECT 49 66 50 68 17 19 63 ORDER 49 1 1 1 1 1 1 CONECT 50 66 68 26 51 65 49 ORDER 50 1 1 1 1 1 1 CONECT 51 50 26 65 17 46 ORDER 51 1 1 1 1 1 CONECT 52 47 55 56 54 82 ORDER 52 1 1 1 1 1 CONECT 53 7 55 4 33 82 9 ORDER 53 1 1 1 1 1 1 CONECT 54 3 52 85 82 ORDER 54 1 1 1 1 CONECT 55 46 47 7 8 52 53 ORDER 55 1 1 1 1 1 1 CONECT 56 58 48 47 87 52 90 ORDER 56 1 1 1 1 1 1 CONECT 57 68 60 58 48 ORDER 57 1 1 1 1 CONECT 58 60 57 59 87 56 ORDER 58 1 1 1 1 1 CONECT 59 67 68 60 61 58 63 ORDER 59 1 1 1 1 1 1 CONECT 60 67 68 57 61 59 58 ORDER 60 1 1 1 1 1 1 CONECT 61 60 62 59 86 88 89 ORDER 61 1 1 1 1 1 1 CONECT 62 67 64 61 71 86 88 ORDER 62 1 1 1 1 1 1 CONECT 63 64 49 59 86 28 87 ORDER 63 1 1 1 1 1 1 CONECT 64 66 67 69 62 43 63 ORDER 64 1 1 1 1 1 1 CONECT 65 50 51 46 48 47 ORDER 65 1 1 1 1 1 CONECT 66 50 67 68 45 64 49 ORDER 66 1 1 1 1 1 1 CONECT 67 66 60 64 62 59 ORDER 67 1 1 1 1 1 CONECT 68 66 50 60 49 57 59 ORDER 68 1 1 1 1 1 1 CONECT 69 45 64 25 71 44 43 ORDER 69 1 1 1 1 1 1 CONECT 70 72 79 34 76 29 ORDER 70 1 1 1 1 1 CONECT 71 69 62 43 72 79 ORDER 71 1 1 1 1 1 CONECT 72 71 86 79 41 78 70 ORDER 72 1 1 1 1 1 1 CONECT 73 84 34 76 29 74 42 ORDER 73 1 1 1 1 1 1 CONECT 74 81 76 73 77 42 ORDER 74 1 1 1 1 1 CONECT 75 89 80 78 81 76 77 ORDER 75 1 1 1 1 1 1 CONECT 76 80 78 70 75 73 74 ORDER 76 1 1 1 1 1 1 CONECT 77 90 81 75 85 83 74 ORDER 77 1 1 1 1 1 1 CONECT 78 86 72 80 84 75 76 ORDER 78 1 1 1 1 1 1 CONECT 79 71 88 72 80 70 ORDER 79 1 1 1 1 1 CONECT 80 88 89 79 78 75 76 ORDER 80 1 1 1 1 1 1 CONECT 81 84 90 75 77 83 74 ORDER 81 1 1 1 1 1 1 CONECT 82 52 54 53 9 32 ORDER 82 1 1 1 1 1 CONECT 83 81 85 30 77 32 42 ORDER 83 1 1 1 1 1 1 CONECT 84 28 87 78 81 30 73 ORDER 84 1 1 1 1 1 1 CONECT 85 54 90 77 83 ORDER 85 1 1 1 1 CONECT 86 62 61 63 88 72 78 ORDER 86 1 1 1 1 1 1 CONECT 87 58 63 89 56 84 90 ORDER 87 1 1 1 1 1 1 CONECT 88 62 61 86 89 79 80 ORDER 88 1 1 1 1 1 1 CONECT 89 61 88 87 80 90 75 ORDER 89 1 1 1 1 1 1 CONECT 90 87 89 56 81 85 77 ORDER 90 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -4117548.05 END BIOGRF 200 DESCRP S_12899 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 2.35835 -1.16419 3.02029 0 1 0 0.00000 HETATM 2 Ag 0.00015 -0.20191 4.55277 0 1 0 0.00000 HETATM 3 Ag 2.39347 -1.04310 5.77285 0 1 0 0.00000 HETATM 4 Ag 6.09924 -1.72091 1.83128 0 1 0 0.00000 HETATM 5 Ag 4.68404 -1.90225 4.27979 0 1 0 0.00000 HETATM 6 Ag 0.00018 -0.46212 1.72423 0 1 0 0.00000 HETATM 7 Ag -0.00039 1.81142 0.20596 0 1 0 0.00000 HETATM 8 Ag -1.47337 4.25868 3.95067 0 1 0 0.00000 HETATM 9 Ag 1.44414 3.90954 1.17393 0 1 0 0.00000 HETATM 10 Ag 2.87997 6.00122 2.13523 0 1 0 0.00000 HETATM 11 Ag -1.44605 3.90881 1.17403 0 1 0 0.00000 HETATM 12 Ag -0.00148 6.08163 2.17736 0 1 0 0.00000 HETATM 13 Ag 1.47065 6.24615 -0.36152 0 1 0 0.00000 HETATM 14 Ag -1.47388 6.24533 -0.36136 0 1 0 0.00000 HETATM 15 Ag 2.33860 2.39357 -1.11424 0 1 0 0.00000 HETATM 16 Ag 3.84312 4.52343 -0.14682 0 1 0 0.00000 HETATM 17 Ag 1.47141 4.25940 3.95058 0 1 0 0.00000 HETATM 18 Ag 4.70868 0.53173 2.83873 0 1 0 0.00000 HETATM 19 Ag 3.84861 3.32638 2.52293 0 1 0 0.00000 HETATM 20 Ag 2.35262 1.22269 1.51849 0 1 0 0.00000 HETATM 21 Ag 6.18799 -0.55333 -0.82800 0 1 0 0.00000 HETATM 22 Ag 3.79119 -1.00105 0.55198 0 1 0 0.00000 HETATM 23 Ag 4.79287 1.74671 0.18957 0 1 0 0.00000 HETATM 24 Ag 2.39243 1.47041 4.33216 0 1 0 0.00000 HETATM 25 Ag -0.00040 2.44521 5.63766 0 1 0 0.00000 HETATM 26 Ag -2.88279 5.99977 2.13546 0 1 0 0.00000 HETATM 27 Ag -0.00047 2.11800 2.93415 0 1 0 0.00000 HETATM 28 Ag 3.84127 -3.46030 2.05835 0 1 0 0.00000 HETATM 29 Ag -4.68295 -1.90471 4.27996 0 1 0 0.00000 HETATM 30 Ag -2.35767 -1.16536 3.02034 0 1 0 0.00000 HETATM 31 Ag 0.00073 -2.81533 3.20833 0 1 0 0.00000 HETATM 32 Ag -2.35937 -3.57813 4.53473 0 1 0 0.00000 HETATM 33 Ag -2.39276 -1.04437 5.77293 0 1 0 0.00000 HETATM 34 Ag 0.00141 -5.16077 4.70115 0 1 0 0.00000 HETATM 35 Ag 2.36136 -3.57699 4.53465 0 1 0 0.00000 HETATM 36 Ag 0.00078 -2.63442 5.96897 0 1 0 0.00000 HETATM 37 Ag -3.85014 3.32443 2.52309 0 1 0 0.00000 HETATM 38 Ag -2.39294 1.46914 4.33228 0 1 0 0.00000 HETATM 39 Ag -2.35310 1.22143 1.51865 0 1 0 0.00000 HETATM 40 Ag -2.33988 2.39234 -1.11409 0 1 0 0.00000 HETATM 41 Ag -4.79371 1.74429 0.18985 0 1 0 0.00000 HETATM 42 Ag -3.84548 4.52142 -0.14650 0 1 0 0.00000 HETATM 43 Ag -4.70880 0.52936 2.83895 0 1 0 0.00000 HETATM 44 Ag -2.37615 4.69022 -2.68278 0 1 0 0.00000 HETATM 45 Ag -1.40712 -0.31841 -0.74465 0 1 0 0.00000 HETATM 46 Ag -3.77934 0.20721 -2.09312 0 1 0 0.00000 HETATM 47 Ag -6.09832 -1.72397 1.83150 0 1 0 0.00000 HETATM 48 Ag -3.83945 -3.46226 2.05852 0 1 0 0.00000 HETATM 49 Ag -3.79069 -1.00297 0.55214 0 1 0 0.00000 HETATM 50 Ag -2.89321 -4.91790 -0.25682 0 1 0 0.00000 HETATM 51 Ag -5.24437 -3.22880 -0.45076 0 1 0 0.00000 HETATM 52 Ag -6.18769 -0.55637 -0.82785 0 1 0 0.00000 HETATM 53 Ag -1.44064 -2.72519 0.74111 0 1 0 0.00000 HETATM 54 Ag -6.10050 0.66356 -3.41141 0 1 0 0.00000 HETATM 55 Ag -4.69858 2.91067 -2.44558 0 1 0 0.00000 HETATM 56 Ag -5.25586 -2.01891 -3.10087 0 1 0 0.00000 HETATM 57 Ag -1.43862 -5.08487 2.25353 0 1 0 0.00000 HETATM 58 Ag 1.44206 -2.72440 0.74105 0 1 0 0.00000 HETATM 59 Ag 0.00126 -4.99694 -0.25777 0 1 0 0.00000 HETATM 60 Ag 1.44131 -5.08418 2.25354 0 1 0 0.00000 HETATM 61 Ag 5.24594 -3.22618 -0.45092 0 1 0 0.00000 HETATM 62 Ag 6.10008 0.66661 -3.41161 0 1 0 0.00000 HETATM 63 Ag 5.25674 -2.01625 -3.10102 0 1 0 0.00000 HETATM 64 Ag 0.00058 -2.56484 -1.76524 0 1 0 0.00000 HETATM 65 Ag 2.89568 -4.91645 -0.25690 0 1 0 0.00000 HETATM 66 Ag -0.00103 4.07328 -1.32131 0 1 0 0.00000 HETATM 67 Ag 1.40726 -0.31764 -0.74471 0 1 0 0.00000 HETATM 68 Ag 4.29256 -4.66237 -2.71827 0 1 0 0.00000 HETATM 69 Ag 3.83757 -0.28293 -4.87714 0 1 0 0.00000 HETATM 70 Ag 3.77920 0.20908 -2.09321 0 1 0 0.00000 HETATM 71 Ag 2.39785 2.02174 -3.94022 0 1 0 0.00000 HETATM 72 Ag 4.69691 2.91304 -2.44591 0 1 0 0.00000 HETATM 73 Ag 2.85446 -2.49912 -1.73702 0 1 0 0.00000 HETATM 74 Ag -0.00108 3.76371 -4.11956 0 1 0 0.00000 HETATM 75 Ag 1.42796 -0.72911 -3.52064 0 1 0 0.00000 HETATM 76 Ag -0.00043 1.48784 -2.53355 0 1 0 0.00000 HETATM 77 Ag -2.88565 -2.95492 -4.51294 0 1 0 0.00000 HETATM 78 Ag 1.42061 -1.18152 -6.22148 0 1 0 0.00000 HETATM 79 Ag 2.88700 -2.95343 -4.51310 0 1 0 0.00000 HETATM 80 Ag -0.00044 1.07704 -5.29215 0 1 0 0.00000 HETATM 81 Ag -1.45199 -4.75400 -2.75376 0 1 0 0.00000 HETATM 82 Ag 0.00068 -3.01556 -4.56414 0 1 0 0.00000 HETATM 83 Ag 1.45440 -4.75324 -2.75377 0 1 0 0.00000 HETATM 84 Ag -1.42026 -1.18227 -6.22140 0 1 0 0.00000 HETATM 85 Ag -2.39917 2.02050 -3.94003 0 1 0 0.00000 HETATM 86 Ag -1.42775 -0.72988 -3.52059 0 1 0 0.00000 HETATM 87 Ag 2.37353 4.69138 -2.68302 0 1 0 0.00000 HETATM 88 Ag -0.00172 6.32578 -2.83383 0 1 0 0.00000 HETATM 89 Ag -2.85326 -2.50055 -1.73691 0 1 0 0.00000 HETATM 90 Ag -3.83754 -0.28491 -4.87705 0 1 0 0.00000 HETATM 91 Ag -4.29042 -4.66456 -2.71812 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 22 20 6 5 35 3 ORDER 1 1 1 1 1 1 1 CONECT 2 6 27 25 3 33 36 ORDER 2 1 1 1 1 1 1 CONECT 3 1 5 24 35 2 36 ORDER 3 1 1 1 1 1 1 CONECT 4 61 22 28 18 5 ORDER 4 1 1 1 1 1 CONECT 5 4 28 18 1 35 3 ORDER 5 1 1 1 1 1 1 CONECT 6 7 1 30 31 2 ORDER 6 1 1 1 1 1 CONECT 7 66 67 45 9 11 6 ORDER 7 1 1 1 1 1 1 CONECT 8 11 26 12 37 27 25 ORDER 8 1 1 1 1 1 1 CONECT 9 13 16 7 10 12 17 ORDER 9 1 1 1 1 1 1 CONECT 10 13 16 9 12 19 17 ORDER 10 1 1 1 1 1 1 CONECT 11 14 42 7 26 12 8 ORDER 11 1 1 1 1 1 1 CONECT 12 9 11 10 26 17 8 ORDER 12 1 1 1 1 1 1 CONECT 13 88 66 9 10 ORDER 13 1 1 1 1 CONECT 14 88 66 11 26 ORDER 14 1 1 1 1 CONECT 15 71 87 72 70 16 23 ORDER 15 1 1 1 1 1 1 CONECT 16 87 72 15 9 10 19 ORDER 16 1 1 1 1 1 1 CONECT 17 9 10 12 19 27 25 ORDER 17 1 1 1 1 1 1 CONECT 18 23 20 4 5 24 ORDER 18 1 1 1 1 1 CONECT 19 16 20 10 17 24 ORDER 19 1 1 1 1 1 CONECT 20 23 22 19 18 1 24 ORDER 20 1 1 1 1 1 1 CONECT 21 62 63 70 61 23 22 ORDER 21 1 1 1 1 1 1 CONECT 22 21 67 61 20 4 1 ORDER 22 1 1 1 1 1 1 CONECT 23 72 15 21 20 18 ORDER 23 1 1 1 1 1 CONECT 24 20 19 18 27 25 3 ORDER 24 1 1 1 1 1 1 CONECT 25 27 17 8 24 38 2 ORDER 25 1 1 1 1 1 1 CONECT 26 14 42 11 12 37 8 ORDER 26 1 1 1 1 1 1 CONECT 27 17 8 24 38 2 25 ORDER 27 1 1 1 1 1 1 CONECT 28 61 65 58 4 5 ORDER 28 1 1 1 1 1 CONECT 29 47 48 43 30 32 33 ORDER 29 1 1 1 1 1 1 CONECT 30 49 39 6 29 32 33 ORDER 30 1 1 1 1 1 1 CONECT 31 6 57 35 32 34 36 ORDER 31 1 1 1 1 1 1 CONECT 32 57 30 31 29 34 33 ORDER 32 1 1 1 1 1 1 CONECT 33 30 29 38 32 2 36 ORDER 33 1 1 1 1 1 1 CONECT 34 57 60 31 35 32 36 ORDER 34 1 1 1 1 1 1 CONECT 35 60 1 31 5 34 3 ORDER 35 1 1 1 1 1 1 CONECT 36 31 2 34 3 33 ORDER 36 1 1 1 1 1 CONECT 37 42 39 26 8 ORDER 37 1 1 1 1 CONECT 38 39 43 27 25 33 ORDER 38 1 1 1 1 1 CONECT 39 41 49 37 43 30 38 ORDER 39 1 1 1 1 1 1 CONECT 40 85 44 55 46 42 41 ORDER 40 1 1 1 1 1 1 CONECT 41 55 40 52 39 43 ORDER 41 1 1 1 1 1 CONECT 42 44 55 40 11 26 37 ORDER 42 1 1 1 1 1 1 CONECT 43 41 39 47 29 38 ORDER 43 1 1 1 1 1 CONECT 44 74 88 55 66 40 42 ORDER 44 1 1 1 1 1 1 CONECT 45 86 46 89 67 7 49 ORDER 45 1 1 1 1 1 1 CONECT 46 90 54 56 40 52 45 ORDER 46 1 1 1 1 1 1 CONECT 47 51 49 48 43 29 ORDER 47 1 1 1 1 1 CONECT 48 51 50 53 47 29 ORDER 48 1 1 1 1 1 CONECT 49 52 45 51 39 47 30 ORDER 49 1 1 1 1 1 1 CONECT 50 81 91 89 59 53 48 ORDER 50 1 1 1 1 1 1 CONECT 51 91 89 52 49 47 48 ORDER 51 1 1 1 1 1 1 CONECT 52 54 56 46 51 41 49 ORDER 52 1 1 1 1 1 1 CONECT 53 59 50 48 57 ORDER 53 1 1 1 1 CONECT 54 90 56 55 46 52 ORDER 54 1 1 1 1 1 CONECT 55 85 54 44 40 42 41 ORDER 55 1 1 1 1 1 1 CONECT 56 90 54 91 46 89 52 ORDER 56 1 1 1 1 1 1 CONECT 57 59 53 60 31 32 34 ORDER 57 1 1 1 1 1 1 CONECT 58 59 65 28 60 ORDER 58 1 1 1 1 CONECT 59 65 50 58 53 57 ORDER 59 1 1 1 1 1 CONECT 60 58 57 35 34 ORDER 60 1 1 1 1 CONECT 61 68 73 21 22 4 28 ORDER 61 1 1 1 1 1 1 CONECT 62 69 63 72 70 21 ORDER 62 1 1 1 1 1 CONECT 63 69 62 68 70 73 21 ORDER 63 1 1 1 1 1 1 CONECT 64 82 83 81 ORDER 64 1 1 1 CONECT 65 83 68 73 59 58 28 ORDER 65 1 1 1 1 1 1 CONECT 66 88 87 44 13 14 7 ORDER 66 1 1 1 1 1 1 CONECT 67 75 70 73 45 7 22 ORDER 67 1 1 1 1 1 1 CONECT 68 79 63 83 73 61 65 ORDER 68 1 1 1 1 1 1 CONECT 69 79 71 75 62 63 70 ORDER 69 1 1 1 1 1 1 CONECT 70 69 62 63 15 21 67 ORDER 70 1 1 1 1 1 1 CONECT 71 80 69 76 72 15 ORDER 71 1 1 1 1 1 CONECT 72 71 62 87 15 16 23 ORDER 72 1 1 1 1 1 1 CONECT 73 79 63 68 67 61 65 ORDER 73 1 1 1 1 1 1 CONECT 74 88 87 44 76 ORDER 74 1 1 1 1 CONECT 75 78 69 79 86 76 67 ORDER 75 1 1 1 1 1 1 CONECT 76 80 74 71 85 75 86 ORDER 76 1 1 1 1 1 1 CONECT 77 84 90 82 86 91 89 ORDER 77 1 1 1 1 1 1 CONECT 78 84 80 82 79 75 ORDER 78 1 1 1 1 1 CONECT 79 78 69 82 75 68 73 ORDER 79 1 1 1 1 1 1 CONECT 80 78 84 71 85 76 ORDER 80 1 1 1 1 1 CONECT 81 83 91 64 50 ORDER 81 1 1 1 1 CONECT 82 78 84 79 77 64 ORDER 82 1 1 1 1 1 CONECT 83 81 68 64 65 ORDER 83 1 1 1 1 CONECT 84 78 80 82 77 86 ORDER 84 1 1 1 1 1 CONECT 85 80 90 76 55 40 ORDER 85 1 1 1 1 1 CONECT 86 84 90 77 75 76 45 ORDER 86 1 1 1 1 1 1 CONECT 87 74 88 72 66 15 16 ORDER 87 1 1 1 1 1 1 CONECT 88 74 87 44 66 13 14 ORDER 88 1 1 1 1 1 1 CONECT 89 77 56 91 45 51 50 ORDER 89 1 1 1 1 1 1 CONECT 90 77 85 86 54 56 46 ORDER 90 1 1 1 1 1 1 CONECT 91 77 56 81 89 51 50 ORDER 91 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -4163299.81 END BIOGRF 200 DESCRP S_13178 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 4.72451 -1.75482 -3.57314 0 1 0 0.00000 HETATM 2 Ag 5.60597 -2.63874 -1.00205 0 1 0 0.00000 HETATM 3 Ag 2.95950 -3.20718 -0.19035 0 1 0 0.00000 HETATM 4 Ag 1.08174 -1.18482 -0.46458 0 1 0 0.00000 HETATM 5 Ag 4.66151 -1.47312 1.45239 0 1 0 0.00000 HETATM 6 Ag 3.75743 -1.76467 4.24906 0 1 0 0.00000 HETATM 7 Ag 1.49442 -1.42161 6.09245 0 1 0 0.00000 HETATM 8 Ag -3.56898 0.51193 4.72085 0 1 0 0.00000 HETATM 9 Ag -2.92563 -2.35115 4.60428 0 1 0 0.00000 HETATM 10 Ag -3.42279 -3.29674 1.85074 0 1 0 0.00000 HETATM 11 Ag -2.50374 -0.66175 2.43540 0 1 0 0.00000 HETATM 12 Ag -1.31066 -0.55004 6.27317 0 1 0 0.00000 HETATM 13 Ag -0.27546 -1.70487 3.94851 0 1 0 0.00000 HETATM 14 Ag -0.64838 -3.34570 6.07497 0 1 0 0.00000 HETATM 15 Ag -5.13297 -1.27532 2.99395 0 1 0 0.00000 HETATM 16 Ag 0.10096 -0.05122 1.81401 0 1 0 0.00000 HETATM 17 Ag 1.95693 -2.04794 2.14812 0 1 0 0.00000 HETATM 18 Ag 1.15165 -4.71818 1.55604 0 1 0 0.00000 HETATM 19 Ag 1.60164 -3.75800 4.31276 0 1 0 0.00000 HETATM 20 Ag -1.57625 -5.20909 0.65970 0 1 0 0.00000 HETATM 21 Ag 2.16130 -5.82335 -0.90022 0 1 0 0.00000 HETATM 22 Ag -3.28972 -5.46361 -1.57506 0 1 0 0.00000 HETATM 23 Ag -1.12709 -4.33746 3.42655 0 1 0 0.00000 HETATM 24 Ag -0.58185 -6.30516 -1.74961 0 1 0 0.00000 HETATM 25 Ag 0.25194 -3.78417 -1.09050 0 1 0 0.00000 HETATM 26 Ag 3.98653 -4.39430 -2.57476 0 1 0 0.00000 HETATM 27 Ag 3.82394 -4.05874 2.41705 0 1 0 0.00000 HETATM 28 Ag 4.79415 -5.18504 0.01912 0 1 0 0.00000 HETATM 29 Ag -0.73325 -2.62554 1.28238 0 1 0 0.00000 HETATM 30 Ag -5.15943 -3.54831 -0.42867 0 1 0 0.00000 HETATM 31 Ag -2.47021 -2.93819 -0.91513 0 1 0 0.00000 HETATM 32 Ag -1.60715 -0.34922 -0.29139 0 1 0 0.00000 HETATM 33 Ag -2.40527 -1.82403 -4.85855 0 1 0 0.00000 HETATM 34 Ag -4.25116 -0.96638 0.27405 0 1 0 0.00000 HETATM 35 Ag -6.84238 -1.56863 0.76863 0 1 0 0.00000 HETATM 36 Ag -6.18717 1.02624 -0.24240 0 1 0 0.00000 HETATM 37 Ag -6.03960 -1.27847 -1.92890 0 1 0 0.00000 HETATM 38 Ag -5.26893 1.35079 -2.92950 0 1 0 0.00000 HETATM 39 Ag -4.47019 1.36466 2.04054 0 1 0 0.00000 HETATM 40 Ag -4.23736 -3.24052 -3.11647 0 1 0 0.00000 HETATM 41 Ag -5.09812 -0.95850 -4.59159 0 1 0 0.00000 HETATM 42 Ag -3.35759 -0.65459 -2.45203 0 1 0 0.00000 HETATM 43 Ag 1.26723 -4.95115 -3.47107 0 1 0 0.00000 HETATM 44 Ag 0.36642 -2.68539 -5.03711 0 1 0 0.00000 HETATM 45 Ag -0.64574 -1.51955 -2.69376 0 1 0 0.00000 HETATM 46 Ag 3.08650 -3.50201 -5.11876 0 1 0 0.00000 HETATM 47 Ag 2.08653 -2.34644 -2.80270 0 1 0 0.00000 HETATM 48 Ag -1.50262 -4.13871 -3.35975 0 1 0 0.00000 HETATM 49 Ag -3.50403 1.66282 -0.72774 0 1 0 0.00000 HETATM 50 Ag -5.33498 3.63902 -1.20446 0 1 0 0.00000 HETATM 51 Ag -3.63842 3.96840 1.03346 0 1 0 0.00000 HETATM 52 Ag -0.94714 4.62186 1.93641 0 1 0 0.00000 HETATM 53 Ag -0.08235 3.73567 4.61787 0 1 0 0.00000 HETATM 54 Ag 0.84964 1.44740 6.20931 0 1 0 0.00000 HETATM 55 Ag -1.76203 1.95275 1.46880 0 1 0 0.00000 HETATM 56 Ag -1.90957 2.26673 6.30359 0 1 0 0.00000 HETATM 57 Ag -2.81209 3.16069 3.73190 0 1 0 0.00000 HETATM 58 Ag -0.90856 1.11249 4.06324 0 1 0 0.00000 HETATM 59 Ag 0.93174 2.51452 2.33392 0 1 0 0.00000 HETATM 60 Ag 1.76536 5.10254 2.79019 0 1 0 0.00000 HETATM 61 Ag 3.57779 0.56170 5.95016 0 1 0 0.00000 HETATM 62 Ag 4.51886 0.88264 3.25976 0 1 0 0.00000 HETATM 63 Ag 1.84602 0.25653 3.88588 0 1 0 0.00000 HETATM 64 Ag 2.71700 2.86578 4.43763 0 1 0 0.00000 HETATM 65 Ag 2.12001 6.71716 0.50381 0 1 0 0.00000 HETATM 66 Ag 1.30237 4.16811 0.10999 0 1 0 0.00000 HETATM 67 Ag 3.45945 3.87539 -3.34395 0 1 0 0.00000 HETATM 68 Ag 4.13395 1.07243 -3.52622 0 1 0 0.00000 HETATM 69 Ag 3.09093 2.20317 -1.07944 0 1 0 0.00000 HETATM 70 Ag 2.48695 -0.72492 -5.09976 0 1 0 0.00000 HETATM 71 Ag -0.27828 0.14121 -5.00094 0 1 0 0.00000 HETATM 72 Ag 1.84999 2.11004 -4.98430 0 1 0 0.00000 HETATM 73 Ag -0.90335 2.96572 -4.80687 0 1 0 0.00000 HETATM 74 Ag 1.47869 0.44451 -2.75647 0 1 0 0.00000 HETATM 75 Ag -3.03796 0.99210 -4.74381 0 1 0 0.00000 HETATM 76 Ag -3.18449 3.34682 -3.05483 0 1 0 0.00000 HETATM 77 Ag -1.27962 1.30172 -2.57888 0 1 0 0.00000 HETATM 78 Ag 0.83535 3.22197 -2.57594 0 1 0 0.00000 HETATM 79 Ag 1.20555 4.86948 -4.77786 0 1 0 0.00000 HETATM 80 Ag -1.02940 5.27041 -3.05469 0 1 0 0.00000 HETATM 81 Ag 1.68244 5.86071 -2.15711 0 1 0 0.00000 HETATM 82 Ag 0.46375 1.56533 -0.35260 0 1 0 0.00000 HETATM 83 Ag -3.24936 5.56720 -1.26600 0 1 0 0.00000 HETATM 84 Ag -1.40750 3.60112 -0.78965 0 1 0 0.00000 HETATM 85 Ag -0.54887 6.23894 -0.40896 0 1 0 0.00000 HETATM 86 Ag 5.65012 2.80144 -1.83932 0 1 0 0.00000 HETATM 87 Ag 3.92352 4.84904 -0.69714 0 1 0 0.00000 HETATM 88 Ag 5.33426 1.18003 0.45557 0 1 0 0.00000 HETATM 89 Ag 2.71408 0.56178 1.18054 0 1 0 0.00000 HETATM 90 Ag 3.71645 -0.58110 -1.19277 0 1 0 0.00000 HETATM 91 Ag 6.27246 0.03177 -1.95201 0 1 0 0.00000 HETATM 92 Ag 3.61016 3.20567 1.64299 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 46 68 47 91 90 2 ORDER 1 1 1 1 1 1 1 CONECT 2 1 26 90 3 28 5 ORDER 2 1 1 1 1 1 1 CONECT 3 26 2 21 4 28 17 ORDER 3 1 1 1 1 1 1 CONECT 4 47 90 25 82 3 16 ORDER 4 1 1 1 1 1 1 CONECT 5 2 88 89 17 27 ORDER 5 1 1 1 1 1 CONECT 6 17 27 62 63 19 61 ORDER 6 1 1 1 1 1 1 CONECT 7 63 13 61 14 54 ORDER 7 1 1 1 1 1 CONECT 8 11 15 57 58 9 56 ORDER 8 1 1 1 1 1 1 CONECT 9 11 23 13 8 14 ORDER 9 1 1 1 1 1 CONECT 10 30 20 29 15 ORDER 10 1 1 1 1 CONECT 11 34 39 15 9 8 ORDER 11 1 1 1 1 1 CONECT 12 13 58 14 56 ORDER 12 1 1 1 1 CONECT 13 16 19 9 14 7 12 ORDER 13 1 1 1 1 1 1 CONECT 14 23 13 19 9 7 12 ORDER 14 1 1 1 1 1 1 CONECT 15 35 10 39 11 8 ORDER 15 1 1 1 1 1 CONECT 16 4 82 32 63 13 58 ORDER 16 1 1 1 1 1 1 CONECT 17 3 5 18 27 6 19 ORDER 17 1 1 1 1 1 1 CONECT 18 21 29 17 27 ORDER 18 1 1 1 1 CONECT 19 17 27 23 13 6 14 ORDER 19 1 1 1 1 1 1 CONECT 20 24 22 29 10 ORDER 20 1 1 1 1 CONECT 21 43 26 25 3 28 18 ORDER 21 1 1 1 1 1 1 CONECT 22 48 40 24 31 20 ORDER 22 1 1 1 1 1 CONECT 23 29 19 9 14 ORDER 23 1 1 1 1 CONECT 24 43 48 22 25 20 ORDER 24 1 1 1 1 1 CONECT 25 43 24 31 21 4 29 ORDER 25 1 1 1 1 1 1 CONECT 26 46 47 2 21 3 28 ORDER 26 1 1 1 1 1 1 CONECT 27 28 5 18 17 6 19 ORDER 27 1 1 1 1 1 1 CONECT 28 26 2 21 3 27 ORDER 28 1 1 1 1 1 CONECT 29 25 31 20 18 10 23 ORDER 29 1 1 1 1 1 1 CONECT 30 40 37 31 34 35 10 ORDER 30 1 1 1 1 1 1 CONECT 31 40 22 25 30 32 29 ORDER 31 1 1 1 1 1 1 CONECT 32 42 31 49 34 16 ORDER 32 1 1 1 1 1 CONECT 33 75 41 45 42 ORDER 33 1 1 1 1 CONECT 34 37 30 32 36 35 11 ORDER 34 1 1 1 1 1 1 CONECT 35 37 30 36 34 15 ORDER 35 1 1 1 1 1 CONECT 36 38 37 49 34 35 39 ORDER 36 1 1 1 1 1 1 CONECT 37 41 42 30 36 34 35 ORDER 37 1 1 1 1 1 1 CONECT 38 41 76 42 50 49 36 ORDER 38 1 1 1 1 1 1 CONECT 39 36 51 55 11 15 ORDER 39 1 1 1 1 1 CONECT 40 41 48 42 22 31 30 ORDER 40 1 1 1 1 1 1 CONECT 41 33 75 40 38 42 37 ORDER 41 1 1 1 1 1 1 CONECT 42 33 41 40 38 37 32 ORDER 42 1 1 1 1 1 1 CONECT 43 46 48 47 24 25 21 ORDER 43 1 1 1 1 1 1 CONECT 44 46 70 48 45 ORDER 44 1 1 1 1 CONECT 45 44 71 33 48 ORDER 45 1 1 1 1 CONECT 46 70 44 1 43 47 26 ORDER 46 1 1 1 1 1 1 CONECT 47 46 70 1 43 26 4 ORDER 47 1 1 1 1 1 1 CONECT 48 44 43 40 45 24 22 ORDER 48 1 1 1 1 1 1 CONECT 49 38 50 84 32 36 55 ORDER 49 1 1 1 1 1 1 CONECT 50 76 38 83 49 51 ORDER 50 1 1 1 1 1 CONECT 51 83 50 55 52 39 ORDER 51 1 1 1 1 1 CONECT 52 85 51 55 59 60 ORDER 52 1 1 1 1 1 CONECT 53 59 60 57 58 64 56 ORDER 53 1 1 1 1 1 1 CONECT 54 63 58 64 61 7 56 ORDER 54 1 1 1 1 1 1 CONECT 55 84 49 51 52 39 57 ORDER 55 1 1 1 1 1 1 CONECT 56 57 58 53 8 54 12 ORDER 56 1 1 1 1 1 1 CONECT 57 55 53 8 56 ORDER 57 1 1 1 1 CONECT 58 16 53 8 54 12 56 ORDER 58 1 1 1 1 1 1 CONECT 59 66 92 52 60 64 53 ORDER 59 1 1 1 1 1 1 CONECT 60 65 92 52 59 53 ORDER 60 1 1 1 1 1 CONECT 61 62 63 6 64 7 54 ORDER 61 1 1 1 1 1 1 CONECT 62 89 6 64 61 ORDER 62 1 1 1 1 CONECT 63 16 6 64 61 7 54 ORDER 63 1 1 1 1 1 1 CONECT 64 59 62 63 53 61 54 ORDER 64 1 1 1 1 1 1 CONECT 65 81 87 85 66 60 ORDER 65 1 1 1 1 1 CONECT 66 81 87 85 82 65 59 ORDER 66 1 1 1 1 1 1 CONECT 67 79 68 78 86 69 87 ORDER 67 1 1 1 1 1 1 CONECT 68 1 67 74 91 86 ORDER 68 1 1 1 1 1 CONECT 69 67 86 90 87 82 89 ORDER 69 1 1 1 1 1 1 CONECT 70 46 44 72 47 74 ORDER 70 1 1 1 1 1 CONECT 71 72 73 75 74 45 77 ORDER 71 1 1 1 1 1 1 CONECT 72 70 71 73 79 74 ORDER 72 1 1 1 1 1 CONECT 73 71 72 79 77 78 ORDER 73 1 1 1 1 1 CONECT 74 70 71 72 68 ORDER 74 1 1 1 1 CONECT 75 71 33 41 77 ORDER 75 1 1 1 1 CONECT 76 80 38 77 83 50 ORDER 76 1 1 1 1 1 CONECT 77 71 73 75 76 ORDER 77 1 1 1 1 CONECT 78 73 79 67 80 81 82 ORDER 78 1 1 1 1 1 1 CONECT 79 72 73 67 80 78 81 ORDER 79 1 1 1 1 1 1 CONECT 80 79 76 78 83 84 85 ORDER 80 1 1 1 1 1 1 CONECT 81 79 78 87 85 66 65 ORDER 81 1 1 1 1 1 1 CONECT 82 78 69 84 4 66 16 ORDER 82 1 1 1 1 1 1 CONECT 83 76 80 50 84 51 ORDER 83 1 1 1 1 1 CONECT 84 80 83 49 85 82 55 ORDER 84 1 1 1 1 1 1 CONECT 85 80 81 84 66 65 52 ORDER 85 1 1 1 1 1 1 CONECT 86 68 67 91 69 88 ORDER 86 1 1 1 1 1 CONECT 87 67 81 69 66 65 92 ORDER 87 1 1 1 1 1 1 CONECT 88 91 86 89 5 92 ORDER 88 1 1 1 1 1 CONECT 89 90 69 88 5 92 62 ORDER 89 1 1 1 1 1 1 CONECT 90 1 91 69 2 4 89 ORDER 90 1 1 1 1 1 1 CONECT 91 1 68 86 90 88 ORDER 91 1 1 1 1 1 CONECT 92 87 88 89 59 60 ORDER 92 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -4209054.70 END BIOGRF 200 DESCRP S_13460 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 1.35286 -0.59050 -0.66109 0 1 0 0.00000 HETATM 2 Ag 4.97652 -2.34351 -3.29282 0 1 0 0.00000 HETATM 3 Ag -2.45480 -0.51178 5.42046 0 1 0 0.00000 HETATM 4 Ag 0.38202 0.28240 1.73502 0 1 0 0.00000 HETATM 5 Ag -0.62211 1.16361 4.11301 0 1 0 0.00000 HETATM 6 Ag 0.28124 -0.12745 6.42123 0 1 0 0.00000 HETATM 7 Ag -1.61453 2.03805 6.48123 0 1 0 0.00000 HETATM 8 Ag -0.51682 -2.71103 5.26802 0 1 0 0.00000 HETATM 9 Ag 2.18447 -2.27265 6.18440 0 1 0 0.00000 HETATM 10 Ag 1.76365 -3.76963 3.77184 0 1 0 0.00000 HETATM 11 Ag 1.28508 -1.00064 3.96360 0 1 0 0.00000 HETATM 12 Ag 6.59004 -2.32352 -0.95454 0 1 0 0.00000 HETATM 13 Ag 5.64985 -1.37371 1.60387 0 1 0 0.00000 HETATM 14 Ag 4.02087 -1.41365 -0.76756 0 1 0 0.00000 HETATM 15 Ag 3.00991 -0.52609 1.69118 0 1 0 0.00000 HETATM 16 Ag 3.05668 0.41190 5.59925 0 1 0 0.00000 HETATM 17 Ag 0.84283 -2.42817 1.52806 0 1 0 0.00000 HETATM 18 Ag 3.52258 -3.31872 1.41909 0 1 0 0.00000 HETATM 19 Ag 3.95716 -1.84316 3.95253 0 1 0 0.00000 HETATM 20 Ag 4.44419 -4.19312 -1.16703 0 1 0 0.00000 HETATM 21 Ag -5.77470 -1.76592 -1.61620 0 1 0 0.00000 HETATM 22 Ag -1.31917 -1.10711 0.11950 0 1 0 0.00000 HETATM 23 Ag -4.00983 -0.32372 0.07657 0 1 0 0.00000 HETATM 24 Ag -4.93640 -4.25569 -0.35332 0 1 0 0.00000 HETATM 25 Ag -3.06955 -2.53073 -1.53638 0 1 0 0.00000 HETATM 26 Ag -5.87847 -2.06517 1.22441 0 1 0 0.00000 HETATM 27 Ag -2.78180 -5.58047 0.98053 0 1 0 0.00000 HETATM 28 Ag -4.15346 -0.61076 3.00680 0 1 0 0.00000 HETATM 29 Ag -3.15130 -2.80163 1.33456 0 1 0 0.00000 HETATM 30 Ag -4.95700 -4.46951 2.46801 0 1 0 0.00000 HETATM 31 Ag -1.40784 -1.38000 2.99374 0 1 0 0.00000 HETATM 32 Ag -3.22680 -3.06692 4.19822 0 1 0 0.00000 HETATM 33 Ag 2.19862 -6.02194 -1.30214 0 1 0 0.00000 HETATM 34 Ag -0.47479 -6.54174 -0.50637 0 1 0 0.00000 HETATM 35 Ag -0.89478 -3.85877 -0.16916 0 1 0 0.00000 HETATM 36 Ag -0.99704 -4.19176 2.75782 0 1 0 0.00000 HETATM 37 Ag 1.28348 -5.16588 1.23163 0 1 0 0.00000 HETATM 38 Ag -0.38591 -2.03703 -2.39067 0 1 0 0.00000 HETATM 39 Ag -4.05523 -1.30422 -3.90168 0 1 0 0.00000 HETATM 40 Ag 0.59367 -2.93327 -4.86105 0 1 0 0.00000 HETATM 41 Ag -2.14615 -3.46584 -4.05075 0 1 0 0.00000 HETATM 42 Ag -2.66846 -5.29388 -1.86134 0 1 0 0.00000 HETATM 43 Ag -4.80659 -3.94558 -3.17565 0 1 0 0.00000 HETATM 44 Ag 0.04539 -4.81881 -2.72307 0 1 0 0.00000 HETATM 45 Ag 1.80016 -3.33158 -0.96461 0 1 0 0.00000 HETATM 46 Ag 2.32105 -1.48583 -3.12329 0 1 0 0.00000 HETATM 47 Ag 2.77025 -4.24016 -3.47687 0 1 0 0.00000 HETATM 48 Ag 3.28542 -2.37452 -5.57122 0 1 0 0.00000 HETATM 49 Ag 4.86423 1.17397 0.34422 0 1 0 0.00000 HETATM 50 Ag 7.37643 0.09573 0.03917 0 1 0 0.00000 HETATM 51 Ag 5.81247 0.19733 -2.24505 0 1 0 0.00000 HETATM 52 Ag 3.13748 1.06692 -2.03430 0 1 0 0.00000 HETATM 53 Ag 3.92611 3.41874 2.03113 0 1 0 0.00000 HETATM 54 Ag 2.15974 1.96056 0.46195 0 1 0 0.00000 HETATM 55 Ag -3.31361 1.99027 4.17061 0 1 0 0.00000 HETATM 56 Ag 1.64698 4.45538 3.53030 0 1 0 0.00000 HETATM 57 Ag 2.10436 1.69334 3.30637 0 1 0 0.00000 HETATM 58 Ag 1.11205 2.61448 5.75312 0 1 0 0.00000 HETATM 59 Ag -1.11896 3.91571 4.34674 0 1 0 0.00000 HETATM 60 Ag -0.09130 2.98240 1.93608 0 1 0 0.00000 HETATM 61 Ag 3.81251 3.09527 4.87697 0 1 0 0.00000 HETATM 62 Ag 4.79756 0.90090 3.27643 0 1 0 0.00000 HETATM 63 Ag -1.34342 -0.77993 -4.78388 0 1 0 0.00000 HETATM 64 Ag -5.83093 3.10310 -0.66310 0 1 0 0.00000 HETATM 65 Ag -4.14620 3.61650 -2.92418 0 1 0 0.00000 HETATM 66 Ag -0.52665 1.52051 -0.51921 0 1 0 0.00000 HETATM 67 Ag -1.45971 2.79151 -2.83087 0 1 0 0.00000 HETATM 68 Ag -2.38567 4.05622 -5.12178 0 1 0 0.00000 HETATM 69 Ag -3.23549 1.40527 -4.56073 0 1 0 0.00000 HETATM 70 Ag -4.92959 1.88458 1.72346 0 1 0 0.00000 HETATM 71 Ag -2.25700 1.08830 1.77088 0 1 0 0.00000 HETATM 72 Ag -3.20509 2.33867 -0.56995 0 1 0 0.00000 HETATM 73 Ag -2.30172 0.12750 -2.24260 0 1 0 0.00000 HETATM 74 Ag -5.01975 0.93053 -2.32344 0 1 0 0.00000 HETATM 75 Ag -6.63236 0.45443 -0.02079 0 1 0 0.00000 HETATM 76 Ag -3.71156 5.09267 -0.51538 0 1 0 0.00000 HETATM 77 Ag -2.80286 3.86171 1.91972 0 1 0 0.00000 HETATM 78 Ag -0.58332 5.69253 2.07253 0 1 0 0.00000 HETATM 79 Ag 1.40971 -0.24390 -5.51476 0 1 0 0.00000 HETATM 80 Ag 4.10602 0.15530 -4.54360 0 1 0 0.00000 HETATM 81 Ag 4.84207 2.69484 -3.41782 0 1 0 0.00000 HETATM 82 Ag 0.28998 4.48073 -4.24205 0 1 0 0.00000 HETATM 83 Ag 2.96431 4.82057 -3.27888 0 1 0 0.00000 HETATM 84 Ag 1.24182 3.20589 -1.89068 0 1 0 0.00000 HETATM 85 Ag -1.01859 4.24745 -0.37863 0 1 0 0.00000 HETATM 86 Ag 1.69841 4.74842 0.58852 0 1 0 0.00000 HETATM 87 Ag 3.93054 3.63182 -0.90563 0 1 0 0.00000 HETATM 88 Ag 0.71008 5.95327 -1.82793 0 1 0 0.00000 HETATM 89 Ag -1.96949 5.54628 -2.73686 0 1 0 0.00000 HETATM 90 Ag -0.51105 1.93310 -5.36383 0 1 0 0.00000 HETATM 91 Ag 0.43047 0.65614 -3.04550 0 1 0 0.00000 HETATM 92 Ag 2.21685 2.33758 -4.46587 0 1 0 0.00000 HETATM 93 Ag -1.51033 6.90719 -0.29864 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 46 52 45 14 4 ORDER 1 1 1 1 1 1 CONECT 2 48 46 51 20 12 14 ORDER 2 1 1 1 1 1 1 CONECT 3 31 5 55 32 8 7 ORDER 3 1 1 1 1 1 1 CONECT 4 1 66 22 57 11 5 ORDER 4 1 1 1 1 1 1 CONECT 5 4 59 3 58 6 7 ORDER 5 1 1 1 1 1 1 CONECT 6 11 5 9 7 ORDER 6 1 1 1 1 CONECT 7 5 55 59 3 58 6 ORDER 7 1 1 1 1 1 1 CONECT 8 31 10 11 32 3 9 ORDER 8 1 1 1 1 1 1 CONECT 9 10 19 11 8 16 6 ORDER 9 1 1 1 1 1 1 CONECT 10 17 19 8 9 ORDER 10 1 1 1 1 CONECT 11 4 19 8 16 9 6 ORDER 11 1 1 1 1 1 1 CONECT 12 2 20 14 50 13 ORDER 12 1 1 1 1 1 CONECT 13 12 50 18 15 19 ORDER 13 1 1 1 1 1 CONECT 14 2 51 20 12 1 15 ORDER 14 1 1 1 1 1 1 CONECT 15 14 49 18 13 62 19 ORDER 15 1 1 1 1 1 1 CONECT 16 57 19 11 61 9 ORDER 16 1 1 1 1 1 CONECT 17 45 35 37 18 36 10 ORDER 17 1 1 1 1 1 1 CONECT 18 20 37 17 13 15 ORDER 18 1 1 1 1 1 CONECT 19 13 15 10 11 16 9 ORDER 19 1 1 1 1 1 1 CONECT 20 47 2 45 12 14 18 ORDER 20 1 1 1 1 1 1 CONECT 21 43 74 25 75 23 26 ORDER 21 1 1 1 1 1 1 CONECT 22 25 66 35 23 29 4 ORDER 22 1 1 1 1 1 1 CONECT 23 21 72 75 22 26 71 ORDER 23 1 1 1 1 1 1 CONECT 24 43 25 27 26 29 30 ORDER 24 1 1 1 1 1 1 CONECT 25 41 43 42 21 24 22 ORDER 25 1 1 1 1 1 1 CONECT 26 21 24 23 29 30 28 ORDER 26 1 1 1 1 1 1 CONECT 27 42 24 35 29 30 36 ORDER 27 1 1 1 1 1 1 CONECT 28 26 70 71 31 32 ORDER 28 1 1 1 1 1 CONECT 29 24 22 27 26 30 31 ORDER 29 1 1 1 1 1 1 CONECT 30 24 27 26 29 32 ORDER 30 1 1 1 1 1 CONECT 31 29 36 28 32 8 3 ORDER 31 1 1 1 1 1 1 CONECT 32 30 36 31 28 8 3 ORDER 32 1 1 1 1 1 1 CONECT 33 47 44 45 34 37 ORDER 33 1 1 1 1 1 CONECT 34 44 42 33 35 37 ORDER 34 1 1 1 1 1 CONECT 35 42 45 34 22 27 17 ORDER 35 1 1 1 1 1 1 CONECT 36 27 37 17 31 32 ORDER 36 1 1 1 1 1 CONECT 37 33 34 18 17 36 ORDER 37 1 1 1 1 1 CONECT 38 40 63 41 91 44 ORDER 38 1 1 1 1 1 CONECT 39 69 41 43 73 ORDER 39 1 1 1 1 CONECT 40 48 79 63 38 ORDER 40 1 1 1 1 CONECT 41 63 39 43 38 25 ORDER 41 1 1 1 1 1 CONECT 42 43 44 25 34 35 27 ORDER 42 1 1 1 1 1 1 CONECT 43 41 39 42 21 25 24 ORDER 43 1 1 1 1 1 1 CONECT 44 47 38 42 33 34 ORDER 44 1 1 1 1 1 CONECT 45 47 33 20 1 35 17 ORDER 45 1 1 1 1 1 1 CONECT 46 48 79 80 47 2 1 ORDER 46 1 1 1 1 1 1 CONECT 47 48 46 44 33 20 45 ORDER 47 1 1 1 1 1 1 CONECT 48 79 40 80 47 2 46 ORDER 48 1 1 1 1 1 1 CONECT 49 87 50 54 15 ORDER 49 1 1 1 1 CONECT 50 51 12 49 13 ORDER 50 1 1 1 1 CONECT 51 80 81 2 52 14 50 ORDER 51 1 1 1 1 1 1 CONECT 52 80 81 51 84 1 54 ORDER 52 1 1 1 1 1 1 CONECT 53 87 54 62 56 61 ORDER 53 1 1 1 1 1 CONECT 54 52 84 87 49 86 53 ORDER 54 1 1 1 1 1 1 CONECT 55 71 59 3 7 ORDER 55 1 1 1 1 CONECT 56 60 53 57 59 61 58 ORDER 56 1 1 1 1 1 1 CONECT 57 4 62 56 61 16 58 ORDER 57 1 1 1 1 1 1 CONECT 58 57 56 5 61 7 ORDER 58 1 1 1 1 1 CONECT 59 60 78 56 5 55 7 ORDER 59 1 1 1 1 1 1 CONECT 60 85 86 77 78 56 59 ORDER 60 1 1 1 1 1 1 CONECT 61 53 62 57 56 16 58 ORDER 61 1 1 1 1 1 1 CONECT 62 15 53 57 61 ORDER 62 1 1 1 1 CONECT 63 90 40 41 91 38 73 ORDER 63 1 1 1 1 1 1 CONECT 64 65 74 72 75 70 ORDER 64 1 1 1 1 1 CONECT 65 68 67 74 64 72 76 ORDER 65 1 1 1 1 1 1 CONECT 66 67 84 72 85 22 4 ORDER 66 1 1 1 1 1 1 CONECT 67 90 68 82 65 89 66 ORDER 67 1 1 1 1 1 1 CONECT 68 90 69 82 65 67 89 ORDER 68 1 1 1 1 1 1 CONECT 69 90 68 39 74 73 ORDER 69 1 1 1 1 1 CONECT 70 64 75 71 77 28 ORDER 70 1 1 1 1 1 CONECT 71 72 23 70 77 28 55 ORDER 71 1 1 1 1 1 1 CONECT 72 65 64 66 76 23 71 ORDER 72 1 1 1 1 1 1 CONECT 73 63 69 39 91 74 ORDER 73 1 1 1 1 1 CONECT 74 69 65 73 21 64 75 ORDER 74 1 1 1 1 1 1 CONECT 75 74 21 64 23 70 ORDER 75 1 1 1 1 1 CONECT 76 65 89 72 85 93 77 ORDER 76 1 1 1 1 1 1 CONECT 77 76 70 71 60 78 ORDER 77 1 1 1 1 1 CONECT 78 93 86 77 60 59 ORDER 78 1 1 1 1 1 CONECT 79 48 40 46 91 ORDER 79 1 1 1 1 CONECT 80 48 92 81 46 51 52 ORDER 80 1 1 1 1 1 1 CONECT 81 80 92 83 51 52 87 ORDER 81 1 1 1 1 1 1 CONECT 82 68 92 83 67 84 88 ORDER 82 1 1 1 1 1 1 CONECT 83 92 82 81 84 87 ORDER 83 1 1 1 1 1 CONECT 84 82 83 52 88 66 54 ORDER 84 1 1 1 1 1 1 CONECT 85 89 88 66 76 93 60 ORDER 85 1 1 1 1 1 1 CONECT 86 88 87 54 60 78 ORDER 86 1 1 1 1 1 CONECT 87 81 83 49 54 86 53 ORDER 87 1 1 1 1 1 1 CONECT 88 82 89 84 85 93 86 ORDER 88 1 1 1 1 1 1 CONECT 89 68 67 88 76 85 93 ORDER 89 1 1 1 1 1 1 CONECT 90 68 63 69 92 91 67 ORDER 90 1 1 1 1 1 1 CONECT 91 79 90 63 92 38 73 ORDER 91 1 1 1 1 1 1 CONECT 92 90 80 82 81 83 91 ORDER 92 1 1 1 1 1 1 CONECT 93 89 88 76 85 78 ORDER 93 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -4254800.18 END BIOGRF 200 DESCRP S_13745 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.86092 1.73641 5.63910 0 1 0 0.00000 HETATM 2 Ag -4.01671 5.03330 -0.77329 0 1 0 0.00000 HETATM 3 Ag -1.88457 5.84874 1.03127 0 1 0 0.00000 HETATM 4 Ag -0.19824 1.76459 3.06814 0 1 0 0.00000 HETATM 5 Ag -0.20096 4.17753 4.40341 0 1 0 0.00000 HETATM 6 Ag -1.90838 3.36348 -0.25449 0 1 0 0.00000 HETATM 7 Ag -5.51244 2.86531 -1.86895 0 1 0 0.00000 HETATM 8 Ag -3.41197 1.17245 -1.33222 0 1 0 0.00000 HETATM 9 Ag -2.22292 -0.42363 -3.45384 0 1 0 0.00000 HETATM 10 Ag -2.94148 3.53094 -2.94630 0 1 0 0.00000 HETATM 11 Ag -2.40049 3.53559 2.66052 0 1 0 0.00000 HETATM 12 Ag -2.02257 1.99593 5.15311 0 1 0 0.00000 HETATM 13 Ag -2.34806 1.06267 1.29690 0 1 0 0.00000 HETATM 14 Ag -4.54146 2.75954 0.83152 0 1 0 0.00000 HETATM 15 Ag 0.85656 -0.67220 4.19704 0 1 0 0.00000 HETATM 16 Ag 1.89079 -0.73936 6.70432 0 1 0 0.00000 HETATM 17 Ag -3.21767 -0.33541 -6.04763 0 1 0 0.00000 HETATM 18 Ag -4.66357 -1.67324 -4.00693 0 1 0 0.00000 HETATM 19 Ag -0.11969 -5.34140 -1.20876 0 1 0 0.00000 HETATM 20 Ag -2.17772 -2.77861 -5.00184 0 1 0 0.00000 HETATM 21 Ag -1.16842 -2.87863 -2.34920 0 1 0 0.00000 HETATM 22 Ag -3.61846 -4.09555 -2.91010 0 1 0 0.00000 HETATM 23 Ag -0.18826 -0.60763 1.67782 0 1 0 0.00000 HETATM 24 Ag 0.42963 -2.99994 5.68525 0 1 0 0.00000 HETATM 25 Ag -0.62488 -2.89489 3.09950 0 1 0 0.00000 HETATM 26 Ag -0.16067 -2.98431 0.27830 0 1 0 0.00000 HETATM 27 Ag -1.06275 -5.16646 4.51586 0 1 0 0.00000 HETATM 28 Ag 1.57419 -4.59121 3.49440 0 1 0 0.00000 HETATM 29 Ag -0.60638 -5.33012 1.68671 0 1 0 0.00000 HETATM 30 Ag -5.86005 -0.07102 -1.97755 0 1 0 0.00000 HETATM 31 Ag -2.60460 -1.85453 1.28388 0 1 0 0.00000 HETATM 32 Ag -6.92102 1.45176 0.08497 0 1 0 0.00000 HETATM 33 Ag -4.38598 1.27217 -4.01005 0 1 0 0.00000 HETATM 34 Ag -6.04547 -2.97351 -1.86860 0 1 0 0.00000 HETATM 35 Ag -4.46946 -1.66794 3.35330 0 1 0 0.00000 HETATM 36 Ag -7.18263 -1.37073 0.09359 0 1 0 0.00000 HETATM 37 Ag -5.06489 -3.07180 0.82660 0 1 0 0.00000 HETATM 38 Ag -3.76306 -0.23076 5.75499 0 1 0 0.00000 HETATM 39 Ag -4.82475 -0.16756 0.85759 0 1 0 0.00000 HETATM 40 Ag -4.20763 1.27377 3.35433 0 1 0 0.00000 HETATM 41 Ag -3.66894 -1.75048 -1.31894 0 1 0 0.00000 HETATM 42 Ag -1.21387 -0.51408 -0.85098 0 1 0 0.00000 HETATM 43 Ag -1.98536 -0.41689 3.71614 0 1 0 0.00000 HETATM 44 Ag -0.95125 -0.47762 6.31554 0 1 0 0.00000 HETATM 45 Ag -2.63577 -4.27223 -0.21048 0 1 0 0.00000 HETATM 46 Ag -3.08986 -4.18369 2.71703 0 1 0 0.00000 HETATM 47 Ag -2.45996 -2.74051 5.19961 0 1 0 0.00000 HETATM 48 Ag -0.42127 -0.57879 -5.65688 0 1 0 0.00000 HETATM 49 Ag 0.59660 -0.67197 -3.04759 0 1 0 0.00000 HETATM 50 Ag 0.66112 -3.05187 -4.58964 0 1 0 0.00000 HETATM 51 Ag -1.09436 -5.16974 -3.85335 0 1 0 0.00000 HETATM 52 Ag 1.98617 -2.24557 2.05553 0 1 0 0.00000 HETATM 53 Ag 3.79627 -2.40270 -0.06749 0 1 0 0.00000 HETATM 54 Ag 5.97704 -3.98586 0.19628 0 1 0 0.00000 HETATM 55 Ag 4.18902 -3.87426 2.37349 0 1 0 0.00000 HETATM 56 Ag 6.32001 -1.14795 0.15950 0 1 0 0.00000 HETATM 57 Ag 2.07794 -4.68777 0.58644 0 1 0 0.00000 HETATM 58 Ag 3.91322 -4.75650 -1.62635 0 1 0 0.00000 HETATM 59 Ag 1.64223 -3.13573 -1.88099 0 1 0 0.00000 HETATM 60 Ag 1.69265 -5.42365 -3.38068 0 1 0 0.00000 HETATM 61 Ag 3.48371 -3.28562 -4.03880 0 1 0 0.00000 HETATM 62 Ag 5.65203 -2.56814 -2.23022 0 1 0 0.00000 HETATM 63 Ag 5.20324 -1.08817 -4.61448 0 1 0 0.00000 HETATM 64 Ag 2.42985 -0.83393 -5.17510 0 1 0 0.00000 HETATM 65 Ag 1.57603 -0.76580 -0.39255 0 1 0 0.00000 HETATM 66 Ag 3.39646 -0.92576 -2.51235 0 1 0 0.00000 HETATM 67 Ag 3.08062 -2.33287 4.61182 0 1 0 0.00000 HETATM 68 Ag 4.53320 -1.01235 2.40704 0 1 0 0.00000 HETATM 69 Ag 6.47845 1.75693 0.17278 0 1 0 0.00000 HETATM 70 Ag 2.09144 1.55194 -1.95212 0 1 0 0.00000 HETATM 71 Ag 3.91624 1.38664 -4.07890 0 1 0 0.00000 HETATM 72 Ag -1.76941 1.89556 -5.04362 0 1 0 0.00000 HETATM 73 Ag 5.89671 0.33580 -2.24617 0 1 0 0.00000 HETATM 74 Ag 1.08432 1.67238 -4.62607 0 1 0 0.00000 HETATM 75 Ag -0.28150 4.12955 -3.93109 0 1 0 0.00000 HETATM 76 Ag 4.06330 0.49266 -0.08442 0 1 0 0.00000 HETATM 77 Ag 2.72830 2.94070 0.53248 0 1 0 0.00000 HETATM 78 Ag -0.76011 1.80374 -2.42699 0 1 0 0.00000 HETATM 79 Ag 2.55615 3.87789 -3.45356 0 1 0 0.00000 HETATM 80 Ag 0.26317 1.65139 0.21536 0 1 0 0.00000 HETATM 81 Ag 3.19380 5.28358 -1.00139 0 1 0 0.00000 HETATM 82 Ag 1.18579 6.26818 -2.76705 0 1 0 0.00000 HETATM 83 Ag 4.59713 2.84975 -1.66892 0 1 0 0.00000 HETATM 84 Ag 0.72452 3.96720 -1.28385 0 1 0 0.00000 HETATM 85 Ag -1.42809 5.70439 -1.78768 0 1 0 0.00000 HETATM 86 Ag 3.34405 0.58107 4.61375 0 1 0 0.00000 HETATM 87 Ag 4.71475 1.89293 2.37574 0 1 0 0.00000 HETATM 88 Ag 5.14853 4.19127 0.78738 0 1 0 0.00000 HETATM 89 Ag 2.25002 0.62485 2.06610 0 1 0 0.00000 HETATM 90 Ag 2.72277 5.43100 1.81407 0 1 0 0.00000 HETATM 91 Ag 0.25550 4.07636 1.56187 0 1 0 0.00000 HETATM 92 Ag 2.29095 3.09960 3.44090 0 1 0 0.00000 HETATM 93 Ag 0.25520 6.46980 2.82375 0 1 0 0.00000 HETATM 94 Ag 0.72738 6.44159 0.03342 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 4 15 5 86 12 16 ORDER 1 1 1 1 1 1 1 CONECT 2 10 7 85 6 14 ORDER 2 1 1 1 1 1 CONECT 3 85 6 94 91 11 93 ORDER 3 1 1 1 1 1 1 CONECT 4 91 92 5 12 1 ORDER 4 1 1 1 1 1 CONECT 5 11 93 4 92 1 ORDER 5 1 1 1 1 1 CONECT 6 85 8 2 80 3 13 ORDER 6 1 1 1 1 1 1 CONECT 7 10 8 2 32 14 ORDER 7 1 1 1 1 1 CONECT 8 33 30 7 42 6 ORDER 8 1 1 1 1 1 CONECT 9 17 72 20 33 18 42 ORDER 9 1 1 1 1 1 1 CONECT 10 33 78 7 85 2 ORDER 10 1 1 1 1 1 CONECT 11 14 3 13 5 ORDER 11 1 1 1 1 CONECT 12 4 40 43 1 38 44 ORDER 12 1 1 1 1 1 1 CONECT 13 6 14 39 11 40 ORDER 13 1 1 1 1 1 CONECT 14 7 2 32 13 11 ORDER 14 1 1 1 1 1 CONECT 15 23 67 1 24 44 16 ORDER 15 1 1 1 1 1 1 CONECT 16 15 67 86 1 24 44 ORDER 16 1 1 1 1 1 1 CONECT 17 48 72 20 33 18 9 ORDER 17 1 1 1 1 1 1 CONECT 18 17 9 22 30 34 41 ORDER 18 1 1 1 1 1 1 CONECT 19 51 60 45 26 ORDER 19 1 1 1 1 CONECT 20 17 50 51 9 22 21 ORDER 20 1 1 1 1 1 1 CONECT 21 20 51 22 59 42 26 ORDER 21 1 1 1 1 1 1 CONECT 22 20 18 21 34 41 45 ORDER 22 1 1 1 1 1 1 CONECT 23 42 65 80 25 43 15 ORDER 23 1 1 1 1 1 1 CONECT 24 25 15 27 16 ORDER 24 1 1 1 1 CONECT 25 23 46 28 27 47 24 ORDER 25 1 1 1 1 1 1 CONECT 26 21 59 19 45 57 29 ORDER 26 1 1 1 1 1 1 CONECT 27 29 46 25 28 47 24 ORDER 27 1 1 1 1 1 1 CONECT 28 29 52 55 25 27 67 ORDER 28 1 1 1 1 1 1 CONECT 29 26 57 46 28 27 ORDER 29 1 1 1 1 1 CONECT 30 33 18 8 41 32 36 ORDER 30 1 1 1 1 1 1 CONECT 31 41 45 37 39 46 35 ORDER 31 1 1 1 1 1 1 CONECT 32 30 7 36 14 39 ORDER 32 1 1 1 1 1 CONECT 33 17 72 9 10 30 8 ORDER 33 1 1 1 1 1 1 CONECT 34 18 22 41 36 37 ORDER 34 1 1 1 1 1 CONECT 35 31 46 43 47 38 ORDER 35 1 1 1 1 1 CONECT 36 30 34 32 37 39 ORDER 36 1 1 1 1 1 CONECT 37 34 45 36 39 31 ORDER 37 1 1 1 1 1 CONECT 38 35 40 43 12 47 44 ORDER 38 1 1 1 1 1 1 CONECT 39 32 36 37 31 13 ORDER 39 1 1 1 1 1 CONECT 40 13 12 38 ORDER 40 1 1 1 CONECT 41 18 22 30 34 42 31 ORDER 41 1 1 1 1 1 1 CONECT 42 9 21 8 41 23 ORDER 42 1 1 1 1 1 CONECT 43 23 35 12 47 38 44 ORDER 43 1 1 1 1 1 1 CONECT 44 43 15 12 47 38 16 ORDER 44 1 1 1 1 1 1 CONECT 45 22 19 26 37 31 ORDER 45 1 1 1 1 1 CONECT 46 31 29 25 35 27 ORDER 46 1 1 1 1 1 CONECT 47 25 35 43 27 38 44 ORDER 47 1 1 1 1 1 1 CONECT 48 17 64 72 49 ORDER 48 1 1 1 1 CONECT 49 48 64 74 50 ORDER 49 1 1 1 1 CONECT 50 20 61 51 60 49 ORDER 50 1 1 1 1 1 CONECT 51 20 50 60 21 19 ORDER 51 1 1 1 1 1 CONECT 52 53 57 55 68 28 67 ORDER 52 1 1 1 1 1 1 CONECT 53 62 58 65 56 54 52 ORDER 53 1 1 1 1 1 1 CONECT 54 62 58 53 56 55 ORDER 54 1 1 1 1 1 CONECT 55 54 57 52 68 28 67 ORDER 55 1 1 1 1 1 1 CONECT 56 73 62 76 53 54 68 ORDER 56 1 1 1 1 1 1 CONECT 57 58 26 29 52 55 ORDER 57 1 1 1 1 1 CONECT 58 61 62 59 53 54 57 ORDER 58 1 1 1 1 1 1 CONECT 59 61 60 21 58 65 26 ORDER 59 1 1 1 1 1 1 CONECT 60 50 61 51 59 19 ORDER 60 1 1 1 1 1 CONECT 61 63 50 60 66 59 58 ORDER 61 1 1 1 1 1 1 CONECT 62 63 66 58 53 56 54 ORDER 62 1 1 1 1 1 1 CONECT 63 64 71 61 66 73 62 ORDER 63 1 1 1 1 1 1 CONECT 64 48 74 63 71 49 66 ORDER 64 1 1 1 1 1 1 CONECT 65 66 59 76 53 80 23 ORDER 65 1 1 1 1 1 1 CONECT 66 64 63 61 73 62 65 ORDER 66 1 1 1 1 1 1 CONECT 67 52 55 28 15 86 16 ORDER 67 1 1 1 1 1 1 CONECT 68 56 52 89 55 87 ORDER 68 1 1 1 1 1 CONECT 69 73 83 76 88 87 ORDER 69 1 1 1 1 1 CONECT 70 74 71 79 83 ORDER 70 1 1 1 1 CONECT 71 64 63 70 ORDER 71 1 1 1 CONECT 72 17 48 74 33 9 78 ORDER 72 1 1 1 1 1 1 CONECT 73 63 66 83 76 56 69 ORDER 73 1 1 1 1 1 1 CONECT 74 64 72 75 49 78 70 ORDER 74 1 1 1 1 1 1 CONECT 75 74 79 82 78 84 ORDER 75 1 1 1 1 1 CONECT 76 73 65 56 69 77 89 ORDER 76 1 1 1 1 1 1 CONECT 77 81 76 80 88 90 89 ORDER 77 1 1 1 1 1 1 CONECT 78 72 74 75 10 ORDER 78 1 1 1 1 CONECT 79 75 82 70 83 ORDER 79 1 1 1 1 CONECT 80 84 65 6 77 91 23 ORDER 80 1 1 1 1 1 1 CONECT 81 82 83 84 77 88 90 ORDER 81 1 1 1 1 1 1 CONECT 82 75 79 85 84 81 94 ORDER 82 1 1 1 1 1 1 CONECT 83 79 73 70 81 69 88 ORDER 83 1 1 1 1 1 1 CONECT 84 75 82 85 81 94 80 ORDER 84 1 1 1 1 1 1 CONECT 85 10 82 84 2 6 3 ORDER 85 1 1 1 1 1 1 CONECT 86 89 87 92 67 1 16 ORDER 86 1 1 1 1 1 1 CONECT 87 69 88 89 68 92 86 ORDER 87 1 1 1 1 1 1 CONECT 88 83 81 69 77 87 ORDER 88 1 1 1 1 1 CONECT 89 76 77 87 68 92 86 ORDER 89 1 1 1 1 1 1 CONECT 90 81 94 77 91 93 92 ORDER 90 1 1 1 1 1 1 CONECT 91 94 80 3 90 93 4 ORDER 91 1 1 1 1 1 1 CONECT 92 90 89 87 4 5 86 ORDER 92 1 1 1 1 1 1 CONECT 93 94 3 91 90 5 ORDER 93 1 1 1 1 1 CONECT 94 82 84 3 91 90 93 ORDER 94 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -4300555.07 END BIOGRF 200 DESCRP S_14033 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 4.23391 -0.89583 3.02822 0 1 0 0.00000 HETATM 2 Ag 6.22442 0.28162 -1.44406 0 1 0 0.00000 HETATM 3 Ag 0.43094 -0.79275 -5.65716 0 1 0 0.00000 HETATM 4 Ag 2.41834 1.48769 -1.72429 0 1 0 0.00000 HETATM 5 Ag 1.78323 1.50317 -4.51618 0 1 0 0.00000 HETATM 6 Ag 1.69354 -0.77315 -0.16223 0 1 0 0.00000 HETATM 7 Ag 5.97978 -2.62146 -1.35324 0 1 0 0.00000 HETATM 8 Ag 6.31226 -1.11027 1.05160 0 1 0 0.00000 HETATM 9 Ag 4.51511 1.25271 -3.57297 0 1 0 0.00000 HETATM 10 Ag 5.86373 -1.23297 -3.83122 0 1 0 0.00000 HETATM 11 Ag 3.19219 -1.01465 -4.77796 0 1 0 0.00000 HETATM 12 Ag 1.08744 -0.78377 -2.92978 0 1 0 0.00000 HETATM 13 Ag 3.78639 -1.00216 -2.00493 0 1 0 0.00000 HETATM 14 Ag -0.99481 1.69630 -5.32295 0 1 0 0.00000 HETATM 15 Ag 4.11175 0.50984 0.43855 0 1 0 0.00000 HETATM 16 Ag 4.85916 2.80882 -1.14758 0 1 0 0.00000 HETATM 17 Ag -1.00409 -0.55402 -1.00784 0 1 0 0.00000 HETATM 18 Ag -2.49546 -4.30648 -0.43253 0 1 0 0.00000 HETATM 19 Ag -3.35012 -1.83757 -1.77901 0 1 0 0.00000 HETATM 20 Ag -5.04417 -3.07309 0.22574 0 1 0 0.00000 HETATM 21 Ag -5.67280 -3.03817 -2.55396 0 1 0 0.00000 HETATM 22 Ag -3.12107 -4.22465 -3.24575 0 1 0 0.00000 HETATM 23 Ag 0.13509 -5.38901 -1.02984 0 1 0 0.00000 HETATM 24 Ag 2.21663 -5.53636 -2.93723 0 1 0 0.00000 HETATM 25 Ag -0.75372 -2.97782 -2.39712 0 1 0 0.00000 HETATM 26 Ag 1.96500 -3.19640 -1.54003 0 1 0 0.00000 HETATM 27 Ag 1.35626 -3.21841 -4.36049 0 1 0 0.00000 HETATM 28 Ag -0.48458 -5.31931 -3.78760 0 1 0 0.00000 HETATM 29 Ag -1.40630 -2.97571 -5.16007 0 1 0 0.00000 HETATM 30 Ag -4.00948 -1.83446 -4.54860 0 1 0 0.00000 HETATM 31 Ag -1.64632 -0.56525 -3.73029 0 1 0 0.00000 HETATM 32 Ag -2.29282 -0.57844 -6.42868 0 1 0 0.00000 HETATM 33 Ag -3.35486 -4.10777 2.40329 0 1 0 0.00000 HETATM 34 Ag 3.84536 -2.38500 0.52777 0 1 0 0.00000 HETATM 35 Ag 4.17548 -4.79489 -0.91587 0 1 0 0.00000 HETATM 36 Ag 4.08089 -3.41556 -3.41874 0 1 0 0.00000 HETATM 37 Ag -2.66242 -1.84098 0.96493 0 1 0 0.00000 HETATM 38 Ag 2.06089 -4.65302 1.02821 0 1 0 0.00000 HETATM 39 Ag -0.75004 -5.26857 1.77030 0 1 0 0.00000 HETATM 40 Ag -0.11193 -2.97749 0.34636 0 1 0 0.00000 HETATM 41 Ag -1.59867 -5.00042 4.50152 0 1 0 0.00000 HETATM 42 Ag 1.76202 -2.15643 2.37622 0 1 0 0.00000 HETATM 43 Ag -0.96581 -2.78305 3.07418 0 1 0 0.00000 HETATM 44 Ag 2.48306 -2.13801 5.06154 0 1 0 0.00000 HETATM 45 Ag 3.90061 -3.75678 3.05861 0 1 0 0.00000 HETATM 46 Ag 5.96589 -3.94807 1.14675 0 1 0 0.00000 HETATM 47 Ag 1.15622 -4.44826 3.83485 0 1 0 0.00000 HETATM 48 Ag -5.47433 -0.16812 -2.72934 0 1 0 0.00000 HETATM 49 Ag -2.40827 1.11299 0.90600 0 1 0 0.00000 HETATM 50 Ag -6.81952 1.41750 -0.81480 0 1 0 0.00000 HETATM 51 Ag -3.79889 4.97497 -1.52722 0 1 0 0.00000 HETATM 52 Ag -4.72571 -0.17437 0.09365 0 1 0 0.00000 HETATM 53 Ag -4.52800 2.76479 0.08702 0 1 0 0.00000 HETATM 54 Ag -2.65315 2.17024 4.70766 0 1 0 0.00000 HETATM 55 Ag -4.60026 1.36887 2.64019 0 1 0 0.00000 HETATM 56 Ag -0.73227 4.33715 4.15637 0 1 0 0.00000 HETATM 57 Ag -2.66517 3.62945 2.15212 0 1 0 0.00000 HETATM 58 Ag -0.53979 1.87670 2.92671 0 1 0 0.00000 HETATM 59 Ag -1.93187 5.87739 0.51865 0 1 0 0.00000 HETATM 60 Ag -0.06084 6.56988 2.56691 0 1 0 0.00000 HETATM 61 Ag -5.14425 2.74096 -2.69549 0 1 0 0.00000 HETATM 62 Ag -3.08973 1.11417 -1.86842 0 1 0 0.00000 HETATM 63 Ag -1.77207 3.34871 -0.66339 0 1 0 0.00000 HETATM 64 Ag -2.44218 3.40574 -3.47671 0 1 0 0.00000 HETATM 65 Ag -3.73518 1.09136 -4.62667 0 1 0 0.00000 HETATM 66 Ag -7.07731 -1.39546 -0.73855 0 1 0 0.00000 HETATM 67 Ag -0.33841 -0.54706 1.63931 0 1 0 0.00000 HETATM 68 Ag -6.92793 0.07463 1.67068 0 1 0 0.00000 HETATM 69 Ag -4.85634 -1.56085 2.71102 0 1 0 0.00000 HETATM 70 Ag -2.42065 -0.29150 3.38315 0 1 0 0.00000 HETATM 71 Ag -3.08975 -2.55712 4.87400 0 1 0 0.00000 HETATM 72 Ag -0.29349 -2.78121 5.78287 0 1 0 0.00000 HETATM 73 Ag 0.13712 1.95085 5.61835 0 1 0 0.00000 HETATM 74 Ag -4.47312 -0.03897 5.13678 0 1 0 0.00000 HETATM 75 Ag -1.75903 -0.24660 6.10224 0 1 0 0.00000 HETATM 76 Ag 0.33559 -0.50956 4.27838 0 1 0 0.00000 HETATM 77 Ag 2.52344 5.50885 1.94503 0 1 0 0.00000 HETATM 78 Ag 1.87004 3.23931 3.58717 0 1 0 0.00000 HETATM 79 Ag 0.31324 1.65945 0.16647 0 1 0 0.00000 HETATM 80 Ag 0.11464 4.13220 1.40838 0 1 0 0.00000 HETATM 81 Ag -1.09329 5.62771 -2.20408 0 1 0 0.00000 HETATM 82 Ag 3.37886 5.25891 -0.77182 0 1 0 0.00000 HETATM 83 Ag 1.63145 6.16622 -2.83330 0 1 0 0.00000 HETATM 84 Ag 0.97326 3.92140 -1.34113 0 1 0 0.00000 HETATM 85 Ag 3.08134 3.75800 -3.23529 0 1 0 0.00000 HETATM 86 Ag 0.33396 3.97915 -4.10637 0 1 0 0.00000 HETATM 87 Ag -0.33653 1.71036 -2.59639 0 1 0 0.00000 HETATM 88 Ag 0.79219 6.44129 -0.13014 0 1 0 0.00000 HETATM 89 Ag 5.06841 4.24424 1.30969 0 1 0 0.00000 HETATM 90 Ag 2.02024 0.71335 2.31341 0 1 0 0.00000 HETATM 91 Ag 2.74089 0.77236 4.98861 0 1 0 0.00000 HETATM 92 Ag 4.41694 2.00589 2.91183 0 1 0 0.00000 HETATM 93 Ag 6.46727 1.79468 0.97775 0 1 0 0.00000 HETATM 94 Ag 1.00536 -0.47554 6.90556 0 1 0 0.00000 HETATM 95 Ag 2.70697 2.97293 0.77267 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 8 90 42 92 45 ORDER 1 1 1 1 1 1 CONECT 2 10 13 16 15 93 8 ORDER 2 1 1 1 1 1 1 CONECT 3 32 14 5 12 ORDER 3 1 1 1 1 CONECT 4 9 85 16 ORDER 4 1 1 1 CONECT 5 3 14 11 86 87 ORDER 5 1 1 1 1 1 CONECT 6 13 26 79 15 34 67 ORDER 6 1 1 1 1 1 1 CONECT 7 10 13 35 34 8 46 ORDER 7 1 1 1 1 1 1 CONECT 8 2 7 15 34 46 1 ORDER 8 1 1 1 1 1 1 CONECT 9 11 10 85 4 ORDER 9 1 1 1 1 CONECT 10 11 9 36 13 2 7 ORDER 10 1 1 1 1 1 1 CONECT 11 5 27 10 9 12 13 ORDER 11 1 1 1 1 1 1 CONECT 12 3 11 27 ORDER 12 1 1 1 CONECT 13 11 10 36 2 7 6 ORDER 13 1 1 1 1 1 1 CONECT 14 32 3 65 5 31 87 ORDER 14 1 1 1 1 1 1 CONECT 15 2 6 95 93 8 90 ORDER 15 1 1 1 1 1 1 CONECT 16 4 2 82 93 89 ORDER 16 1 1 1 1 1 CONECT 17 31 25 62 19 67 ORDER 17 1 1 1 1 1 CONECT 18 22 23 20 ORDER 18 1 1 1 CONECT 19 30 22 21 17 52 37 ORDER 19 1 1 1 1 1 1 CONECT 20 21 66 18 37 69 ORDER 20 1 1 1 1 1 CONECT 21 30 22 48 19 66 20 ORDER 21 1 1 1 1 1 1 CONECT 22 29 30 21 25 19 18 ORDER 22 1 1 1 1 1 1 CONECT 23 28 24 18 40 ORDER 23 1 1 1 1 CONECT 24 27 28 36 26 23 ORDER 24 1 1 1 1 1 CONECT 25 29 28 22 26 17 40 ORDER 25 1 1 1 1 1 1 CONECT 26 36 24 25 35 6 40 ORDER 26 1 1 1 1 1 1 CONECT 27 29 11 28 36 24 12 ORDER 27 1 1 1 1 1 1 CONECT 28 29 27 24 25 23 ORDER 28 1 1 1 1 1 CONECT 29 32 27 28 31 22 25 ORDER 29 1 1 1 1 1 1 CONECT 30 32 31 22 48 21 19 ORDER 30 1 1 1 1 1 1 CONECT 31 32 14 29 65 30 17 ORDER 31 1 1 1 1 1 1 CONECT 32 3 14 29 65 30 31 ORDER 32 1 1 1 1 1 1 CONECT 33 37 39 43 41 71 ORDER 33 1 1 1 1 1 CONECT 34 7 35 6 8 46 42 ORDER 34 1 1 1 1 1 1 CONECT 35 36 26 7 34 38 46 ORDER 35 1 1 1 1 1 1 CONECT 36 27 10 24 13 26 35 ORDER 36 1 1 1 1 1 1 CONECT 37 19 52 20 33 69 ORDER 37 1 1 1 1 1 CONECT 38 35 40 39 45 ORDER 38 1 1 1 1 CONECT 39 40 38 33 47 41 ORDER 39 1 1 1 1 1 CONECT 40 25 26 23 38 39 ORDER 40 1 1 1 1 1 CONECT 41 39 33 43 47 71 72 ORDER 41 1 1 1 1 1 1 CONECT 42 34 1 45 47 44 ORDER 42 1 1 1 1 1 CONECT 43 67 33 47 41 71 72 ORDER 43 1 1 1 1 1 1 CONECT 44 42 45 47 76 91 94 ORDER 44 1 1 1 1 1 1 CONECT 45 38 46 42 1 47 44 ORDER 45 1 1 1 1 1 1 CONECT 46 7 35 34 8 45 ORDER 46 1 1 1 1 1 CONECT 47 39 42 45 43 41 44 ORDER 47 1 1 1 1 1 1 CONECT 48 65 30 21 62 50 66 ORDER 48 1 1 1 1 1 1 CONECT 49 63 53 52 57 55 ORDER 49 1 1 1 1 1 CONECT 50 48 61 66 53 52 68 ORDER 50 1 1 1 1 1 1 CONECT 51 64 61 81 63 53 ORDER 51 1 1 1 1 1 CONECT 52 19 50 66 49 37 68 ORDER 52 1 1 1 1 1 1 CONECT 53 61 51 50 49 57 55 ORDER 53 1 1 1 1 1 1 CONECT 54 58 70 74 75 ORDER 54 1 1 1 1 CONECT 55 53 49 68 69 74 ORDER 55 1 1 1 1 1 CONECT 56 57 60 58 78 73 ORDER 56 1 1 1 1 1 CONECT 57 53 59 49 56 ORDER 57 1 1 1 1 CONECT 58 80 78 56 54 73 ORDER 58 1 1 1 1 1 CONECT 59 81 63 88 80 57 60 ORDER 59 1 1 1 1 1 1 CONECT 60 88 59 80 77 56 ORDER 60 1 1 1 1 1 CONECT 61 64 62 51 50 53 ORDER 61 1 1 1 1 1 CONECT 62 65 64 48 61 17 63 ORDER 62 1 1 1 1 1 1 CONECT 63 81 62 51 79 59 49 ORDER 63 1 1 1 1 1 1 CONECT 64 65 61 87 62 51 ORDER 64 1 1 1 1 1 CONECT 65 32 14 31 64 48 62 ORDER 65 1 1 1 1 1 1 CONECT 66 48 21 50 52 20 68 ORDER 66 1 1 1 1 1 1 CONECT 67 17 6 79 43 70 76 ORDER 67 1 1 1 1 1 1 CONECT 68 50 66 52 55 69 ORDER 68 1 1 1 1 1 CONECT 69 20 37 68 55 70 74 ORDER 69 1 1 1 1 1 1 CONECT 70 67 69 54 71 74 75 ORDER 70 1 1 1 1 1 1 CONECT 71 33 43 70 41 74 75 ORDER 71 1 1 1 1 1 1 CONECT 72 43 76 41 94 ORDER 72 1 1 1 1 CONECT 73 58 56 76 91 94 ORDER 73 1 1 1 1 1 CONECT 74 55 69 70 54 71 75 ORDER 74 1 1 1 1 1 1 CONECT 75 70 76 54 71 74 94 ORDER 75 1 1 1 1 1 1 CONECT 76 67 44 73 72 75 94 ORDER 76 1 1 1 1 1 1 CONECT 77 82 88 95 80 60 78 ORDER 77 1 1 1 1 1 1 CONECT 78 77 90 92 58 56 ORDER 78 1 1 1 1 1 CONECT 79 84 63 6 95 80 67 ORDER 79 1 1 1 1 1 1 CONECT 80 88 79 59 77 60 58 ORDER 80 1 1 1 1 1 1 CONECT 81 86 83 51 84 63 59 ORDER 81 1 1 1 1 1 1 CONECT 82 83 84 16 95 89 77 ORDER 82 1 1 1 1 1 1 CONECT 83 86 85 81 84 82 88 ORDER 83 1 1 1 1 1 1 CONECT 84 85 83 81 82 88 79 ORDER 84 1 1 1 1 1 1 CONECT 85 86 9 83 4 84 ORDER 85 1 1 1 1 1 CONECT 86 5 85 83 87 81 ORDER 86 1 1 1 1 1 CONECT 87 14 5 86 64 ORDER 87 1 1 1 1 CONECT 88 83 84 59 80 77 60 ORDER 88 1 1 1 1 1 1 CONECT 89 16 82 95 93 92 ORDER 89 1 1 1 1 1 CONECT 90 15 95 92 1 78 91 ORDER 90 1 1 1 1 1 1 CONECT 91 90 44 73 94 ORDER 91 1 1 1 1 CONECT 92 93 89 90 1 78 ORDER 92 1 1 1 1 1 CONECT 93 2 16 15 89 92 ORDER 93 1 1 1 1 1 CONECT 94 76 91 44 73 72 75 ORDER 94 1 1 1 1 1 1 CONECT 95 82 79 15 89 77 90 ORDER 95 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -4346303.69 END BIOGRF 200 DESCRP S_14324 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.31041 -5.20071 -3.64312 0 1 0 0.00000 HETATM 2 Ag 0.21789 -1.42162 -2.44749 0 1 0 0.00000 HETATM 3 Ag -2.51407 -5.17831 -3.83776 0 1 0 0.00000 HETATM 4 Ag -1.37784 -0.00007 -0.54101 0 1 0 0.00000 HETATM 5 Ag -2.51451 5.17851 -3.83718 0 1 0 0.00000 HETATM 6 Ag -4.16764 3.79308 -2.00826 0 1 0 0.00000 HETATM 7 Ag -2.72847 6.06423 -1.16515 0 1 0 0.00000 HETATM 8 Ag -1.27869 3.76044 -1.78496 0 1 0 0.00000 HETATM 9 Ag -1.47671 4.70947 0.97194 0 1 0 0.00000 HETATM 10 Ag -4.30066 4.65841 0.74198 0 1 0 0.00000 HETATM 11 Ag -5.73689 2.33034 -0.13065 0 1 0 0.00000 HETATM 12 Ag -2.88670 2.34500 0.09850 0 1 0 0.00000 HETATM 13 Ag -1.05160 2.86348 -4.53725 0 1 0 0.00000 HETATM 14 Ag -5.51156 1.43230 -2.87223 0 1 0 0.00000 HETATM 15 Ag -3.86193 2.85758 -4.69018 0 1 0 0.00000 HETATM 16 Ag -2.65352 1.43271 -2.64323 0 1 0 0.00000 HETATM 17 Ag -3.90286 0.00015 -4.73863 0 1 0 0.00000 HETATM 18 Ag -5.51140 -1.43248 -2.87250 0 1 0 0.00000 HETATM 19 Ag -1.05119 -2.86320 -4.53747 0 1 0 0.00000 HETATM 20 Ag -1.06502 0.00019 -4.57401 0 1 0 0.00000 HETATM 21 Ag -3.86160 -2.85723 -4.69054 0 1 0 0.00000 HETATM 22 Ag -2.65339 -1.43269 -2.64333 0 1 0 0.00000 HETATM 23 Ag 5.74676 2.33084 0.75443 0 1 0 0.00000 HETATM 24 Ag 5.94381 1.43160 -1.98711 0 1 0 0.00000 HETATM 25 Ag 7.20423 0.00033 0.10232 0 1 0 0.00000 HETATM 26 Ag 4.48294 -3.79222 -1.34258 0 1 0 0.00000 HETATM 27 Ag 5.94390 -1.43101 -1.98708 0 1 0 0.00000 HETATM 28 Ag 4.64164 0.00015 -4.07979 0 1 0 0.00000 HETATM 29 Ag 4.39243 0.00016 -0.10254 0 1 0 0.00000 HETATM 30 Ag 1.50411 0.00003 -0.32031 0 1 0 0.00000 HETATM 31 Ag 1.79287 -2.86260 -4.31839 0 1 0 0.00000 HETATM 32 Ag 4.59390 -2.85611 -4.03871 0 1 0 0.00000 HETATM 33 Ag 1.59481 -3.75978 -1.56447 0 1 0 0.00000 HETATM 34 Ag 3.08593 -1.43230 -2.20023 0 1 0 0.00000 HETATM 35 Ag 0.30989 5.20097 -3.64285 0 1 0 0.00000 HETATM 36 Ag 1.79249 2.86279 -4.31839 0 1 0 0.00000 HETATM 37 Ag 3.13086 5.17771 -3.40417 0 1 0 0.00000 HETATM 38 Ag 0.10288 6.09957 -0.97765 0 1 0 0.00000 HETATM 39 Ag 0.21772 1.42177 -2.44743 0 1 0 0.00000 HETATM 40 Ag 0.00389 2.34512 0.31511 0 1 0 0.00000 HETATM 41 Ag 2.89303 2.34443 0.54623 0 1 0 0.00000 HETATM 42 Ag 3.08570 1.43251 -2.20025 0 1 0 0.00000 HETATM 43 Ag 4.59351 2.85651 -4.03872 0 1 0 0.00000 HETATM 44 Ag 2.92976 6.06528 -0.73257 0 1 0 0.00000 HETATM 45 Ag 4.48259 3.79262 -1.34256 0 1 0 0.00000 HETATM 46 Ag 1.59445 3.75991 -1.56434 0 1 0 0.00000 HETATM 47 Ag 1.36582 4.70775 1.18720 0 1 0 0.00000 HETATM 48 Ag 4.19534 4.66018 1.38968 0 1 0 0.00000 HETATM 49 Ag 1.81217 0.00017 -4.35178 0 1 0 0.00000 HETATM 50 Ag -4.26782 -0.00020 -0.77540 0 1 0 0.00000 HETATM 51 Ag 2.89331 -2.34424 0.54625 0 1 0 0.00000 HETATM 52 Ag -1.47625 -4.70965 0.97156 0 1 0 0.00000 HETATM 53 Ag -4.51700 -2.35234 2.45431 0 1 0 0.00000 HETATM 54 Ag -4.16732 -3.79313 -2.00870 0 1 0 0.00000 HETATM 55 Ag 0.00405 -2.34515 0.31503 0 1 0 0.00000 HETATM 56 Ag -2.88638 -2.34525 0.09828 0 1 0 0.00000 HETATM 57 Ag -3.07379 -4.62041 3.30661 0 1 0 0.00000 HETATM 58 Ag -5.73669 -2.33096 -0.13094 0 1 0 0.00000 HETATM 59 Ag -7.07802 -0.00031 -1.00384 0 1 0 0.00000 HETATM 60 Ag -1.27838 -3.76045 -1.78517 0 1 0 0.00000 HETATM 61 Ag -4.30029 -4.65888 0.74144 0 1 0 0.00000 HETATM 62 Ag -2.72787 -6.06437 -1.16592 0 1 0 0.00000 HETATM 63 Ag 2.93038 -6.06500 -0.73255 0 1 0 0.00000 HETATM 64 Ag 0.10348 -6.09943 -0.97801 0 1 0 0.00000 HETATM 65 Ag 3.13125 -5.17746 -3.40418 0 1 0 0.00000 HETATM 66 Ag 5.74693 -2.33030 0.75448 0 1 0 0.00000 HETATM 67 Ag -1.62631 -2.33971 2.65233 0 1 0 0.00000 HETATM 68 Ag -0.24368 -4.64148 3.56011 0 1 0 0.00000 HETATM 69 Ag 1.36624 -4.70769 1.18713 0 1 0 0.00000 HETATM 70 Ag 2.59135 -4.62773 3.73062 0 1 0 0.00000 HETATM 71 Ag 4.19574 -4.65978 1.38975 0 1 0 0.00000 HETATM 72 Ag 4.14694 -2.35165 3.11990 0 1 0 0.00000 HETATM 73 Ag 1.25250 -2.33413 2.87760 0 1 0 0.00000 HETATM 74 Ag 5.62200 0.00021 2.44701 0 1 0 0.00000 HETATM 75 Ag -4.59242 -0.00048 4.12523 0 1 0 0.00000 HETATM 76 Ag 2.77027 0.00005 2.24586 0 1 0 0.00000 HETATM 77 Ag -0.11554 -0.00003 2.00624 0 1 0 0.00000 HETATM 78 Ag -3.02710 -0.00024 1.78936 0 1 0 0.00000 HETATM 79 Ag -5.87567 -0.00031 1.55325 0 1 0 0.00000 HETATM 80 Ag -3.25397 -0.00057 6.55877 0 1 0 0.00000 HETATM 81 Ag -3.21033 2.32720 4.99136 0 1 0 0.00000 HETATM 82 Ag -0.37941 2.36020 5.21526 0 1 0 0.00000 HETATM 83 Ag -4.51716 2.35169 2.45459 0 1 0 0.00000 HETATM 84 Ag -1.62656 2.33940 2.65245 0 1 0 0.00000 HETATM 85 Ag 1.25230 2.33414 2.87763 0 1 0 0.00000 HETATM 86 Ag -3.07417 4.61989 3.30712 0 1 0 0.00000 HETATM 87 Ag 2.59101 4.62789 3.73071 0 1 0 0.00000 HETATM 88 Ag -0.24400 4.64127 3.56027 0 1 0 0.00000 HETATM 89 Ag -0.37927 -2.36043 5.21516 0 1 0 0.00000 HETATM 90 Ag 2.46330 2.35274 5.38789 0 1 0 0.00000 HETATM 91 Ag 3.94530 0.00015 4.77551 0 1 0 0.00000 HETATM 92 Ag 2.46352 -2.35262 5.38789 0 1 0 0.00000 HETATM 93 Ag 1.12048 -0.00007 4.60753 0 1 0 0.00000 HETATM 94 Ag 4.14682 2.35201 3.11983 0 1 0 0.00000 HETATM 95 Ag -3.21009 -2.32808 4.99114 0 1 0 0.00000 HETATM 96 Ag -1.71116 -0.00030 4.32873 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 19 3 65 60 33 64 ORDER 1 1 1 1 1 1 1 CONECT 2 19 49 31 39 ORDER 2 1 1 1 1 CONECT 3 21 19 1 54 60 62 ORDER 3 1 1 1 1 1 1 CONECT 4 22 16 55 40 78 77 ORDER 4 1 1 1 1 1 1 CONECT 5 15 13 35 6 8 7 ORDER 5 1 1 1 1 1 1 CONECT 6 15 5 14 7 11 12 ORDER 6 1 1 1 1 1 1 CONECT 7 5 6 8 38 10 9 ORDER 7 1 1 1 1 1 1 CONECT 8 5 35 16 7 38 40 ORDER 8 1 1 1 1 1 1 CONECT 9 7 10 47 86 88 ORDER 9 1 1 1 1 1 CONECT 10 7 11 12 9 83 86 ORDER 10 1 1 1 1 1 1 CONECT 11 6 59 50 12 10 83 ORDER 11 1 1 1 1 1 1 CONECT 12 6 11 10 83 84 ORDER 12 1 1 1 1 1 CONECT 13 15 20 36 5 35 39 ORDER 13 1 1 1 1 1 1 CONECT 14 17 15 18 6 59 50 ORDER 14 1 1 1 1 1 1 CONECT 15 13 5 14 16 6 ORDER 15 1 1 1 1 1 CONECT 16 17 15 22 8 4 ORDER 16 1 1 1 1 1 CONECT 17 21 20 18 14 22 16 ORDER 17 1 1 1 1 1 1 CONECT 18 17 21 14 54 59 50 ORDER 18 1 1 1 1 1 1 CONECT 19 21 20 31 3 1 2 ORDER 19 1 1 1 1 1 1 CONECT 20 17 19 13 49 39 ORDER 20 1 1 1 1 1 CONECT 21 17 19 3 18 22 54 ORDER 21 1 1 1 1 1 1 CONECT 22 17 21 16 60 4 ORDER 22 1 1 1 1 1 CONECT 23 45 29 25 41 48 94 ORDER 23 1 1 1 1 1 1 CONECT 24 28 43 27 45 29 25 ORDER 24 1 1 1 1 1 1 CONECT 25 24 27 29 23 66 74 ORDER 25 1 1 1 1 1 1 CONECT 26 32 65 27 63 51 66 ORDER 26 1 1 1 1 1 1 CONECT 27 28 32 24 26 29 25 ORDER 27 1 1 1 1 1 1 CONECT 28 49 32 42 34 24 27 ORDER 28 1 1 1 1 1 1 CONECT 29 24 27 25 23 66 74 ORDER 29 1 1 1 1 1 1 CONECT 30 42 34 55 40 41 77 ORDER 30 1 1 1 1 1 1 CONECT 31 19 49 32 65 2 34 ORDER 31 1 1 1 1 1 1 CONECT 32 31 28 65 34 27 26 ORDER 32 1 1 1 1 1 1 CONECT 33 1 65 34 64 63 55 ORDER 33 1 1 1 1 1 1 CONECT 34 31 28 32 42 33 30 ORDER 34 1 1 1 1 1 1 CONECT 35 13 5 37 8 46 38 ORDER 35 1 1 1 1 1 1 CONECT 36 13 49 43 37 39 42 ORDER 36 1 1 1 1 1 1 CONECT 37 36 43 35 46 45 44 ORDER 37 1 1 1 1 1 1 CONECT 38 35 8 46 7 44 47 ORDER 38 1 1 1 1 1 1 CONECT 39 20 13 49 36 2 ORDER 39 1 1 1 1 1 CONECT 40 8 46 4 30 84 85 ORDER 40 1 1 1 1 1 1 CONECT 41 45 30 23 48 85 ORDER 41 1 1 1 1 1 CONECT 42 36 28 43 34 46 30 ORDER 42 1 1 1 1 1 1 CONECT 43 36 37 42 24 45 ORDER 43 1 1 1 1 1 CONECT 44 37 46 45 38 47 48 ORDER 44 1 1 1 1 1 1 CONECT 45 43 37 24 44 41 23 ORDER 45 1 1 1 1 1 1 CONECT 46 35 37 42 38 44 40 ORDER 46 1 1 1 1 1 1 CONECT 47 38 44 9 48 87 ORDER 47 1 1 1 1 1 CONECT 48 44 41 23 47 87 ORDER 48 1 1 1 1 1 CONECT 49 20 31 36 28 2 39 ORDER 49 1 1 1 1 1 1 CONECT 50 18 14 59 58 11 79 ORDER 50 1 1 1 1 1 1 CONECT 51 26 66 69 71 72 ORDER 51 1 1 1 1 1 CONECT 52 62 61 69 57 68 ORDER 52 1 1 1 1 1 CONECT 53 58 56 79 78 57 ORDER 53 1 1 1 1 1 CONECT 54 21 3 18 62 58 56 ORDER 54 1 1 1 1 1 1 CONECT 55 60 33 4 30 67 73 ORDER 55 1 1 1 1 1 1 CONECT 56 54 58 61 53 67 ORDER 56 1 1 1 1 1 CONECT 57 61 52 53 67 68 95 ORDER 57 1 1 1 1 1 1 CONECT 58 54 59 50 56 61 53 ORDER 58 1 1 1 1 1 1 CONECT 59 18 14 50 58 11 79 ORDER 59 1 1 1 1 1 1 CONECT 60 3 1 22 62 64 55 ORDER 60 1 1 1 1 1 1 CONECT 61 62 58 56 52 57 ORDER 61 1 1 1 1 1 CONECT 62 3 54 60 64 61 52 ORDER 62 1 1 1 1 1 1 CONECT 63 65 33 26 64 69 71 ORDER 63 1 1 1 1 1 1 CONECT 64 1 60 33 62 63 69 ORDER 64 1 1 1 1 1 1 CONECT 65 31 32 1 33 26 63 ORDER 65 1 1 1 1 1 1 CONECT 66 26 29 25 51 71 72 ORDER 66 1 1 1 1 1 1 CONECT 67 56 55 57 68 95 89 ORDER 67 1 1 1 1 1 1 CONECT 68 52 67 73 57 70 89 ORDER 68 1 1 1 1 1 1 CONECT 69 64 63 51 52 71 70 ORDER 69 1 1 1 1 1 1 CONECT 70 69 71 73 72 68 92 ORDER 70 1 1 1 1 1 1 CONECT 71 63 51 66 69 70 ORDER 71 1 1 1 1 1 CONECT 72 51 66 76 74 70 92 ORDER 72 1 1 1 1 1 1 CONECT 73 55 77 68 70 89 92 ORDER 73 1 1 1 1 1 1 CONECT 74 29 25 76 94 72 91 ORDER 74 1 1 1 1 1 1 CONECT 75 79 78 83 95 81 80 ORDER 75 1 1 1 1 1 1 CONECT 76 74 94 72 93 91 ORDER 76 1 1 1 1 1 CONECT 77 4 30 73 85 96 ORDER 77 1 1 1 1 1 CONECT 78 4 79 53 75 ORDER 78 1 1 1 1 CONECT 79 59 50 78 53 83 75 ORDER 79 1 1 1 1 1 1 CONECT 80 75 96 95 81 ORDER 80 1 1 1 1 CONECT 81 84 86 75 96 82 80 ORDER 81 1 1 1 1 1 1 CONECT 82 84 88 81 90 ORDER 82 1 1 1 1 CONECT 83 11 12 10 79 86 75 ORDER 83 1 1 1 1 1 1 CONECT 84 12 40 86 88 81 82 ORDER 84 1 1 1 1 1 1 CONECT 85 40 41 77 88 87 90 ORDER 85 1 1 1 1 1 1 CONECT 86 10 9 83 84 88 81 ORDER 86 1 1 1 1 1 1 CONECT 87 47 48 85 94 88 90 ORDER 87 1 1 1 1 1 1 CONECT 88 9 84 85 86 87 82 ORDER 88 1 1 1 1 1 1 CONECT 89 67 73 68 96 95 92 ORDER 89 1 1 1 1 1 1 CONECT 90 85 94 87 93 91 82 ORDER 90 1 1 1 1 1 1 CONECT 91 76 74 94 93 90 92 ORDER 91 1 1 1 1 1 1 CONECT 92 73 72 70 93 91 89 ORDER 92 1 1 1 1 1 1 CONECT 93 76 96 91 90 92 ORDER 93 1 1 1 1 1 CONECT 94 23 76 74 87 91 90 ORDER 94 1 1 1 1 1 1 CONECT 95 67 57 75 96 89 80 ORDER 95 1 1 1 1 1 1 CONECT 96 77 93 95 81 89 80 ORDER 96 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -4392039.75 END BIOGRF 200 DESCRP S_14618 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -7.17967 -1.92254 1.19535 0 1 0 0.00000 HETATM 2 Ag -4.11114 5.82793 -0.48989 0 1 0 0.00000 HETATM 3 Ag -5.36153 1.33906 -2.00631 0 1 0 0.00000 HETATM 4 Ag -5.19349 3.28673 0.08296 0 1 0 0.00000 HETATM 5 Ag -6.24223 0.67336 0.65279 0 1 0 0.00000 HETATM 6 Ag -4.35280 1.93319 -4.60637 0 1 0 0.00000 HETATM 7 Ag -0.81337 -0.67875 -2.52297 0 1 0 0.00000 HETATM 8 Ag -2.09528 3.68114 -4.41203 0 1 0 0.00000 HETATM 9 Ag -3.48775 0.99920 0.12397 0 1 0 0.00000 HETATM 10 Ag -4.25669 3.91144 -2.57118 0 1 0 0.00000 HETATM 11 Ag -0.39317 1.40470 -4.43399 0 1 0 0.00000 HETATM 12 Ag -2.54283 1.61707 -2.53085 0 1 0 0.00000 HETATM 13 Ag -3.60611 -0.95613 -1.97714 0 1 0 0.00000 HETATM 14 Ag -0.97253 -2.60364 -4.60410 0 1 0 0.00000 HETATM 15 Ag -6.36916 -1.26775 -1.42902 0 1 0 0.00000 HETATM 16 Ag -1.11205 -6.19036 0.75116 0 1 0 0.00000 HETATM 17 Ag -5.53812 -4.13528 1.21482 0 1 0 0.00000 HETATM 18 Ag -1.72856 -1.33151 0.14815 0 1 0 0.00000 HETATM 19 Ag 0.71349 -4.85308 -4.50760 0 1 0 0.00000 HETATM 20 Ag -2.03982 -5.14716 -3.98150 0 1 0 0.00000 HETATM 21 Ag -2.81059 -3.92971 0.71566 0 1 0 0.00000 HETATM 22 Ag -2.95674 -5.79242 -1.38437 0 1 0 0.00000 HETATM 23 Ag -0.18281 -5.60341 -1.90370 0 1 0 0.00000 HETATM 24 Ag 2.60369 -5.29015 -2.43393 0 1 0 0.00000 HETATM 25 Ag -4.48999 -1.60303 0.67196 0 1 0 0.00000 HETATM 26 Ag -4.69938 -3.55310 -1.42554 0 1 0 0.00000 HETATM 27 Ag -1.88792 -3.26300 -1.93778 0 1 0 0.00000 HETATM 28 Ag -3.75561 -2.89649 -4.03142 0 1 0 0.00000 HETATM 29 Ag -2.67630 -0.32250 -4.63908 0 1 0 0.00000 HETATM 30 Ag -5.42943 -0.61274 -4.04348 0 1 0 0.00000 HETATM 31 Ag 3.02815 -3.18764 -4.30815 0 1 0 0.00000 HETATM 32 Ag 0.89175 -2.99203 -2.46100 0 1 0 0.00000 HETATM 33 Ag 1.33260 -0.90865 -4.39857 0 1 0 0.00000 HETATM 34 Ag 0.20904 5.34858 -4.12369 0 1 0 0.00000 HETATM 35 Ag -1.97383 5.62620 -2.33063 0 1 0 0.00000 HETATM 36 Ag 1.90060 3.09764 -4.15326 0 1 0 0.00000 HETATM 37 Ag -0.25938 3.32738 -2.28834 0 1 0 0.00000 HETATM 38 Ag -2.42287 3.57166 -0.44327 0 1 0 0.00000 HETATM 39 Ag 0.69249 5.87343 -1.35577 0 1 0 0.00000 HETATM 40 Ag 2.84641 5.56982 -3.16311 0 1 0 0.00000 HETATM 41 Ag -0.68757 1.24871 -0.39658 0 1 0 0.00000 HETATM 42 Ag 3.60688 0.80987 -4.11815 0 1 0 0.00000 HETATM 43 Ag 4.89473 -3.58835 -2.19032 0 1 0 0.00000 HETATM 44 Ag 3.18223 -1.28908 -2.21816 0 1 0 0.00000 HETATM 45 Ag 4.55799 3.31431 -3.14912 0 1 0 0.00000 HETATM 46 Ag 1.45469 1.01404 -2.28053 0 1 0 0.00000 HETATM 47 Ag 5.28065 -1.45210 -4.01977 0 1 0 0.00000 HETATM 48 Ag 1.04188 -1.06906 -0.36211 0 1 0 0.00000 HETATM 49 Ag -2.18892 -1.59299 5.02326 0 1 0 0.00000 HETATM 50 Ag -3.90170 -2.88940 3.16349 0 1 0 0.00000 HETATM 51 Ag -2.76783 3.28480 4.43577 0 1 0 0.00000 HETATM 52 Ag -1.75757 2.30353 2.03484 0 1 0 0.00000 HETATM 53 Ag -2.81119 -0.28986 2.59004 0 1 0 0.00000 HETATM 54 Ag -3.85760 0.70848 4.96476 0 1 0 0.00000 HETATM 55 Ag -5.57306 -0.60340 3.10462 0 1 0 0.00000 HETATM 56 Ag -4.56106 2.01778 2.57084 0 1 0 0.00000 HETATM 57 Ag -3.46761 4.59407 1.97759 0 1 0 0.00000 HETATM 58 Ag 0.62853 -4.94321 2.67320 0 1 0 0.00000 HETATM 59 Ag -1.09039 -2.60501 2.61998 0 1 0 0.00000 HETATM 60 Ag -2.15467 -5.12942 3.17599 0 1 0 0.00000 HETATM 61 Ag 1.69359 -5.96037 0.22171 0 1 0 0.00000 HETATM 62 Ag -0.02363 -0.02133 2.07537 0 1 0 0.00000 HETATM 63 Ag -0.80708 4.83270 2.97951 0 1 0 0.00000 HETATM 64 Ag -1.47369 6.06320 0.48996 0 1 0 0.00000 HETATM 65 Ag 0.24813 3.77709 0.53701 0 1 0 0.00000 HETATM 66 Ag 1.22272 6.21645 1.45967 0 1 0 0.00000 HETATM 67 Ag 0.91739 2.49574 2.99056 0 1 0 0.00000 HETATM 68 Ag 3.34745 5.99383 -0.41784 0 1 0 0.00000 HETATM 69 Ag 1.85268 4.94866 3.92116 0 1 0 0.00000 HETATM 70 Ag -1.07955 1.00882 4.52892 0 1 0 0.00000 HETATM 71 Ag -0.45565 -3.84545 5.03316 0 1 0 0.00000 HETATM 72 Ag 1.62207 1.25573 5.44330 0 1 0 0.00000 HETATM 73 Ag -0.09695 3.51858 5.37498 0 1 0 0.00000 HETATM 74 Ag 5.07395 3.73985 -0.40940 0 1 0 0.00000 HETATM 75 Ag 2.95645 3.97053 1.51012 0 1 0 0.00000 HETATM 76 Ag 2.64446 0.17836 3.02501 0 1 0 0.00000 HETATM 77 Ag 3.56563 2.68199 3.99324 0 1 0 0.00000 HETATM 78 Ag 4.12117 1.21855 -1.28731 0 1 0 0.00000 HETATM 79 Ag 6.23139 1.03084 -3.09357 0 1 0 0.00000 HETATM 80 Ag 2.39830 3.52957 -1.32256 0 1 0 0.00000 HETATM 81 Ag 3.30011 -1.03830 5.44376 0 1 0 0.00000 HETATM 82 Ag 5.24894 0.39222 3.98981 0 1 0 0.00000 HETATM 83 Ag 1.98261 1.45058 0.56648 0 1 0 0.00000 HETATM 84 Ag 6.74065 1.44232 -0.34820 0 1 0 0.00000 HETATM 85 Ag 4.66190 1.68204 1.54467 0 1 0 0.00000 HETATM 86 Ag 6.31909 -0.62158 1.56301 0 1 0 0.00000 HETATM 87 Ag 3.71652 -0.87694 0.60720 0 1 0 0.00000 HETATM 88 Ag 5.88054 -1.08521 -1.25004 0 1 0 0.00000 HETATM 89 Ag 4.44785 -5.65961 -0.31686 0 1 0 0.00000 HETATM 90 Ag -0.01413 -3.67225 0.19475 0 1 0 0.00000 HETATM 91 Ag 5.41414 -3.18023 0.62885 0 1 0 0.00000 HETATM 92 Ag 2.76713 -3.39717 -0.33800 0 1 0 0.00000 HETATM 93 Ag 3.41648 -4.64222 2.11595 0 1 0 0.00000 HETATM 94 Ag 4.39041 -2.14115 3.08404 0 1 0 0.00000 HETATM 95 Ag 0.62718 -1.27938 4.56114 0 1 0 0.00000 HETATM 96 Ag 1.70708 -2.34863 2.10418 0 1 0 0.00000 HETATM 97 Ag 2.32926 -3.54900 4.53782 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 15 5 25 17 55 ORDER 1 1 1 1 1 1 CONECT 2 10 35 38 4 64 57 ORDER 2 1 1 1 1 1 1 CONECT 3 6 30 10 15 4 9 ORDER 3 1 1 1 1 1 1 CONECT 4 3 2 38 9 5 56 ORDER 4 1 1 1 1 1 1 CONECT 5 15 4 9 1 55 ORDER 5 1 1 1 1 1 CONECT 6 29 30 10 12 3 ORDER 6 1 1 1 1 1 CONECT 7 29 14 11 46 13 27 ORDER 7 1 1 1 1 1 1 CONECT 8 11 34 10 12 35 37 ORDER 8 1 1 1 1 1 1 CONECT 9 3 4 5 25 ORDER 9 1 1 1 1 CONECT 10 6 8 3 2 38 ORDER 10 1 1 1 1 1 CONECT 11 29 8 7 ORDER 11 1 1 1 CONECT 12 6 8 13 41 ORDER 12 1 1 1 1 CONECT 13 30 28 12 7 15 18 ORDER 13 1 1 1 1 1 1 CONECT 14 29 19 28 20 7 ORDER 14 1 1 1 1 1 CONECT 15 3 13 26 5 25 1 ORDER 15 1 1 1 1 1 1 CONECT 16 22 90 61 21 60 ORDER 16 1 1 1 1 1 CONECT 17 26 25 21 1 50 ORDER 17 1 1 1 1 1 CONECT 18 13 27 41 48 25 59 ORDER 18 1 1 1 1 1 1 CONECT 19 14 20 32 24 23 ORDER 19 1 1 1 1 1 CONECT 20 14 19 28 27 23 22 ORDER 20 1 1 1 1 1 1 CONECT 21 22 90 16 17 60 ORDER 21 1 1 1 1 1 CONECT 22 20 27 23 26 21 16 ORDER 22 1 1 1 1 1 1 CONECT 23 19 20 24 22 90 61 ORDER 23 1 1 1 1 1 1 CONECT 24 19 31 43 23 92 89 ORDER 24 1 1 1 1 1 1 CONECT 25 15 9 18 1 17 55 ORDER 25 1 1 1 1 1 1 CONECT 26 28 15 22 17 ORDER 26 1 1 1 1 CONECT 27 28 20 7 32 22 18 ORDER 27 1 1 1 1 1 1 CONECT 28 14 30 20 13 27 26 ORDER 28 1 1 1 1 1 1 CONECT 29 6 14 11 30 7 ORDER 29 1 1 1 1 1 CONECT 30 29 6 28 3 13 ORDER 30 1 1 1 1 1 CONECT 31 33 47 32 24 44 43 ORDER 31 1 1 1 1 1 1 CONECT 32 19 31 27 48 ORDER 32 1 1 1 1 CONECT 33 31 ORDER 33 1 CONECT 34 8 36 40 35 37 39 ORDER 34 1 1 1 1 1 1 CONECT 35 8 34 39 2 38 ORDER 35 1 1 1 1 1 CONECT 36 34 42 40 37 46 ORDER 36 1 1 1 1 1 CONECT 37 8 36 34 80 41 ORDER 37 1 1 1 1 1 CONECT 38 10 35 2 4 64 57 ORDER 38 1 1 1 1 1 1 CONECT 39 34 40 35 68 64 65 ORDER 39 1 1 1 1 1 1 CONECT 40 36 34 45 39 80 68 ORDER 40 1 1 1 1 1 1 CONECT 41 12 37 18 65 83 62 ORDER 41 1 1 1 1 1 1 CONECT 42 36 47 45 79 46 44 ORDER 42 1 1 1 1 1 1 CONECT 43 31 47 24 88 92 89 ORDER 43 1 1 1 1 1 1 CONECT 44 31 42 47 78 48 ORDER 44 1 1 1 1 1 CONECT 45 42 40 79 80 78 74 ORDER 45 1 1 1 1 1 1 CONECT 46 36 42 7 ORDER 46 1 1 1 CONECT 47 31 42 79 44 43 88 ORDER 47 1 1 1 1 1 1 CONECT 48 32 44 18 83 87 96 ORDER 48 1 1 1 1 1 1 CONECT 49 53 59 50 54 71 ORDER 49 1 1 1 1 1 CONECT 50 17 53 55 60 49 ORDER 50 1 1 1 1 1 CONECT 51 57 52 56 70 54 73 ORDER 51 1 1 1 1 1 1 CONECT 52 57 56 53 63 51 ORDER 52 1 1 1 1 1 CONECT 53 52 62 55 50 54 49 ORDER 53 1 1 1 1 1 1 CONECT 54 56 53 55 51 70 49 ORDER 54 1 1 1 1 1 1 CONECT 55 5 25 1 53 50 54 ORDER 55 1 1 1 1 1 1 CONECT 56 4 57 52 51 54 ORDER 56 1 1 1 1 1 CONECT 57 2 38 52 56 63 51 ORDER 57 1 1 1 1 1 1 CONECT 58 90 61 96 93 60 71 ORDER 58 1 1 1 1 1 1 CONECT 59 18 62 96 60 49 71 ORDER 59 1 1 1 1 1 1 CONECT 60 21 16 59 58 50 71 ORDER 60 1 1 1 1 1 1 CONECT 61 23 92 89 90 16 58 ORDER 61 1 1 1 1 1 1 CONECT 62 41 53 59 67 76 95 ORDER 62 1 1 1 1 1 1 CONECT 63 64 57 52 69 73 ORDER 63 1 1 1 1 1 CONECT 64 39 2 38 65 66 63 ORDER 64 1 1 1 1 1 1 CONECT 65 39 41 64 66 ORDER 65 1 1 1 1 CONECT 66 68 64 65 75 69 ORDER 66 1 1 1 1 1 CONECT 67 83 62 69 77 73 72 ORDER 67 1 1 1 1 1 1 CONECT 68 40 39 80 74 66 75 ORDER 68 1 1 1 1 1 1 CONECT 69 66 75 63 67 77 73 ORDER 69 1 1 1 1 1 1 CONECT 70 51 95 54 73 ORDER 70 1 1 1 1 CONECT 71 59 58 60 97 95 49 ORDER 71 1 1 1 1 1 1 CONECT 72 67 76 77 95 73 81 ORDER 72 1 1 1 1 1 1 CONECT 73 63 67 69 51 70 72 ORDER 73 1 1 1 1 1 1 CONECT 74 45 80 78 68 84 ORDER 74 1 1 1 1 1 CONECT 75 68 66 85 69 ORDER 75 1 1 1 1 CONECT 76 83 62 82 77 72 81 ORDER 76 1 1 1 1 1 1 CONECT 77 85 67 76 69 82 72 ORDER 77 1 1 1 1 1 1 CONECT 78 45 79 44 74 84 83 ORDER 78 1 1 1 1 1 1 CONECT 79 42 47 45 78 88 84 ORDER 79 1 1 1 1 1 1 CONECT 80 40 45 37 68 74 83 ORDER 80 1 1 1 1 1 1 CONECT 81 76 94 82 97 95 72 ORDER 81 1 1 1 1 1 1 CONECT 82 85 86 76 94 77 81 ORDER 82 1 1 1 1 1 1 CONECT 83 80 78 41 48 67 76 ORDER 83 1 1 1 1 1 1 CONECT 84 79 78 88 74 85 86 ORDER 84 1 1 1 1 1 1 CONECT 85 84 75 86 82 77 ORDER 85 1 1 1 1 1 CONECT 86 84 87 91 85 82 ORDER 86 1 1 1 1 1 CONECT 87 88 48 91 86 94 ORDER 87 1 1 1 1 1 CONECT 88 47 79 43 84 87 91 ORDER 88 1 1 1 1 1 1 CONECT 89 24 43 92 61 91 93 ORDER 89 1 1 1 1 1 1 CONECT 90 23 61 21 16 58 ORDER 90 1 1 1 1 1 CONECT 91 88 92 89 87 86 94 ORDER 91 1 1 1 1 1 1 CONECT 92 24 43 89 61 91 93 ORDER 92 1 1 1 1 1 1 CONECT 93 92 89 96 58 94 97 ORDER 93 1 1 1 1 1 1 CONECT 94 87 91 96 93 82 81 ORDER 94 1 1 1 1 1 1 CONECT 95 62 70 97 71 72 81 ORDER 95 1 1 1 1 1 1 CONECT 96 48 93 59 58 94 97 ORDER 96 1 1 1 1 1 1 CONECT 97 96 93 95 71 81 ORDER 97 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -4437788.37 END BIOGRF 200 DESCRP S_14915 FORCEFIELD DREIDING FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 5.23883 -4.69227 0.54507 0 1 0 0.00000 HETATM 2 Ag 2.32715 0.00001 0.58029 0 1 0 0.00000 HETATM 3 Ag 6.13028 -2.40103 2.01427 0 1 0 0.00000 HETATM 4 Ag 7.08075 0.00005 0.73106 0 1 0 0.00000 HETATM 5 Ag 6.13029 2.40095 2.01436 0 1 0 0.00000 HETATM 6 Ag 4.66412 -0.00002 2.15949 0 1 0 0.00000 HETATM 7 Ag 0.29476 -2.86282 -2.90508 0 1 0 0.00000 HETATM 8 Ag -1.15116 -5.25526 -3.15068 0 1 0 0.00000 HETATM 9 Ag 4.05982 -3.84856 -1.89540 0 1 0 0.00000 HETATM 10 Ag 0.10021 -1.41678 -0.50844 0 1 0 0.00000 HETATM 11 Ag 0.49019 -4.29956 -5.27222 0 1 0 0.00000 HETATM 12 Ag 2.79636 0.00015 -4.36138 0 1 0 0.00000 HETATM 13 Ag -1.90831 -2.89837 -4.68142 0 1 0 0.00000 HETATM 14 Ag 0.49867 -1.45514 -5.36403 0 1 0 0.00000 HETATM 15 Ag -2.10702 -1.44348 -2.27926 0 1 0 0.00000 HETATM 16 Ag 0.30041 0.00010 -2.97256 0 1 0 0.00000 HETATM 17 Ag -1.93272 0.00010 -4.75572 0 1 0 0.00000 HETATM 18 Ag 2.75907 2.89825 -4.29221 0 1 0 0.00000 HETATM 19 Ag 0.49861 1.45542 -5.36391 0 1 0 0.00000 HETATM 20 Ag -4.32356 -1.44141 -3.99525 0 1 0 0.00000 HETATM 21 Ag 2.75908 -2.89797 -4.29228 0 1 0 0.00000 HETATM 22 Ag 4.05975 3.84868 -1.89517 0 1 0 0.00000 HETATM 23 Ag 6.28225 2.36489 -0.79504 0 1 0 0.00000 HETATM 24 Ag 2.56146 1.44229 -1.88831 0 1 0 0.00000 HETATM 25 Ag 5.02853 -1.44133 -3.21595 0 1 0 0.00000 HETATM 26 Ag 5.02853 1.44153 -3.21583 0 1 0 0.00000 HETATM 27 Ag 2.56144 -1.44219 -1.88840 0 1 0 0.00000 HETATM 28 Ag 4.75861 0.00003 -0.76758 0 1 0 0.00000 HETATM 29 Ag 3.78602 -2.36434 0.57604 0 1 0 0.00000 HETATM 30 Ag 6.28230 -2.36484 -0.79518 0 1 0 0.00000 HETATM 31 Ag 7.20242 0.00003 -2.09103 0 1 0 0.00000 HETATM 32 Ag 1.75527 -5.25746 -2.91005 0 1 0 0.00000 HETATM 33 Ag 1.54916 -3.80265 -0.47482 0 1 0 0.00000 HETATM 34 Ag -1.34887 -3.79847 -0.71755 0 1 0 0.00000 HETATM 35 Ag -2.99931 -4.70912 1.49166 0 1 0 0.00000 HETATM 36 Ag -1.76227 -3.84877 4.01642 0 1 0 0.00000 HETATM 37 Ag 3.01100 -6.11197 -0.48811 0 1 0 0.00000 HETATM 38 Ag 0.11268 -6.19671 -0.76579 0 1 0 0.00000 HETATM 39 Ag -0.10103 -4.80255 1.74694 0 1 0 0.00000 HETATM 40 Ag -6.28454 -2.39417 0.98694 0 1 0 0.00000 HETATM 41 Ag -2.79198 -6.10465 -0.96448 0 1 0 0.00000 HETATM 42 Ag -3.73110 -2.35824 -0.04857 0 1 0 0.00000 HETATM 43 Ag -1.52555 -2.35154 1.69955 0 1 0 0.00000 HETATM 44 Ag -3.59115 -3.84508 -2.53083 0 1 0 0.00000 HETATM 45 Ag 3.63910 -2.43172 3.49375 0 1 0 0.00000 HETATM 46 Ag 1.32596 -2.35420 1.94530 0 1 0 0.00000 HETATM 47 Ag 1.15149 -3.85247 4.26602 0 1 0 0.00000 HETATM 48 Ag 2.79615 -4.72542 1.97143 0 1 0 0.00000 HETATM 49 Ag -5.16457 -4.68581 -0.32337 0 1 0 0.00000 HETATM 50 Ag -4.45976 0.00003 -1.53801 0 1 0 0.00000 HETATM 51 Ag -0.30024 1.44162 4.12170 0 1 0 0.00000 HETATM 52 Ag 3.63911 2.43155 3.49379 0 1 0 0.00000 HETATM 53 Ag -0.07767 -0.00008 1.83514 0 1 0 0.00000 HETATM 54 Ag -7.00185 -0.00001 -0.44481 0 1 0 0.00000 HETATM 55 Ag -2.26733 -0.00002 0.18220 0 1 0 0.00000 HETATM 56 Ag -4.09154 -2.39316 2.87577 0 1 0 0.00000 HETATM 57 Ag -4.85165 -0.00007 1.37010 0 1 0 0.00000 HETATM 58 Ag -4.09161 2.39294 2.87584 0 1 0 0.00000 HETATM 59 Ag -4.99686 -0.00012 4.22785 0 1 0 0.00000 HETATM 60 Ag -2.55666 -0.00005 3.01780 0 1 0 0.00000 HETATM 61 Ag -6.28462 2.39406 0.98709 0 1 0 0.00000 HETATM 62 Ag -0.51563 -0.00015 6.50589 0 1 0 0.00000 HETATM 63 Ag -0.30021 -1.44181 4.12166 0 1 0 0.00000 HETATM 64 Ag -2.80096 1.47102 5.37615 0 1 0 0.00000 HETATM 65 Ag -2.80094 -1.47130 5.37609 0 1 0 0.00000 HETATM 66 Ag -0.51507 2.88453 6.41335 0 1 0 0.00000 HETATM 67 Ag -1.76234 3.84848 4.01665 0 1 0 0.00000 HETATM 68 Ag 1.89455 1.49258 5.78805 0 1 0 0.00000 HETATM 69 Ag 2.18118 -0.00009 3.46905 0 1 0 0.00000 HETATM 70 Ag -0.51504 -2.88487 6.41328 0 1 0 0.00000 HETATM 71 Ag 1.89452 -1.49277 5.78799 0 1 0 0.00000 HETATM 72 Ag -5.96529 -2.36139 -1.81381 0 1 0 0.00000 HETATM 73 Ag 0.29468 2.86306 -2.90493 0 1 0 0.00000 HETATM 74 Ag 0.49018 4.29989 -5.27207 0 1 0 0.00000 HETATM 75 Ag 0.10023 1.41683 -0.50844 0 1 0 0.00000 HETATM 76 Ag -1.34889 3.79851 -0.71735 0 1 0 0.00000 HETATM 77 Ag -1.52553 2.35140 1.69969 0 1 0 0.00000 HETATM 78 Ag -1.15124 5.25537 -3.15036 0 1 0 0.00000 HETATM 79 Ag -2.79204 6.10466 -0.96417 0 1 0 0.00000 HETATM 80 Ag -5.16466 4.68568 -0.32312 0 1 0 0.00000 HETATM 81 Ag -2.99925 4.70901 1.49184 0 1 0 0.00000 HETATM 82 Ag -0.10106 4.80243 1.74716 0 1 0 0.00000 HETATM 83 Ag 1.54912 3.80265 -0.47463 0 1 0 0.00000 HETATM 84 Ag 2.79603 4.72536 1.97162 0 1 0 0.00000 HETATM 85 Ag 0.11260 6.19676 -0.76556 0 1 0 0.00000 HETATM 86 Ag 1.75520 5.25763 -2.90981 0 1 0 0.00000 HETATM 87 Ag 3.01091 6.11205 -0.48786 0 1 0 0.00000 HETATM 88 Ag 3.78600 2.36438 0.57615 0 1 0 0.00000 HETATM 89 Ag 1.32600 2.35414 1.94537 0 1 0 0.00000 HETATM 90 Ag 5.23881 4.69225 0.54539 0 1 0 0.00000 HETATM 91 Ag 1.15143 3.85233 4.26616 0 1 0 0.00000 HETATM 92 Ag -3.73113 2.35825 -0.04845 0 1 0 0.00000 HETATM 93 Ag -3.59125 3.84520 -2.53069 0 1 0 0.00000 HETATM 94 Ag -6.65352 0.00008 -3.24801 0 1 0 0.00000 HETATM 95 Ag -2.10710 1.44358 -2.27919 0 1 0 0.00000 HETATM 96 Ag -4.32359 1.44157 -3.99521 0 1 0 0.00000 HETATM 97 Ag -5.96529 2.36142 -1.81374 0 1 0 0.00000 HETATM 98 Ag -1.90831 2.89853 -4.68129 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 9 30 37 29 48 3 ORDER 1 1 1 1 1 1 1 CONECT 2 28 29 88 53 6 ORDER 2 1 1 1 1 1 CONECT 3 30 1 29 4 6 45 ORDER 3 1 1 1 1 1 1 CONECT 4 31 28 3 5 6 ORDER 4 1 1 1 1 1 CONECT 5 23 90 88 4 6 52 ORDER 5 1 1 1 1 1 1 CONECT 6 2 4 3 5 69 ORDER 6 1 1 1 1 1 CONECT 7 11 13 21 8 32 10 ORDER 7 1 1 1 1 1 1 CONECT 8 11 7 44 41 38 34 ORDER 8 1 1 1 1 1 1 CONECT 9 21 32 27 37 1 ORDER 9 1 1 1 1 1 CONECT 10 7 15 27 34 33 ORDER 10 1 1 1 1 1 CONECT 11 14 13 21 8 32 7 ORDER 11 1 1 1 1 1 1 CONECT 12 25 26 16 27 ORDER 12 1 1 1 1 CONECT 13 14 11 7 44 15 ORDER 13 1 1 1 1 1 CONECT 14 11 17 13 21 16 ORDER 14 1 1 1 1 1 CONECT 15 13 20 44 10 ORDER 15 1 1 1 1 CONECT 16 14 19 17 12 ORDER 16 1 1 1 1 CONECT 17 14 19 20 96 16 95 ORDER 17 1 1 1 1 1 1 CONECT 18 19 74 73 22 24 ORDER 18 1 1 1 1 1 CONECT 19 74 17 98 18 16 ORDER 19 1 1 1 1 1 CONECT 20 17 96 94 15 72 50 ORDER 20 1 1 1 1 1 1 CONECT 21 14 11 7 9 27 ORDER 21 1 1 1 1 1 CONECT 22 18 86 24 87 90 ORDER 22 1 1 1 1 1 CONECT 23 26 31 28 90 88 5 ORDER 23 1 1 1 1 1 1 CONECT 24 18 26 22 75 ORDER 24 1 1 1 1 CONECT 25 12 26 31 27 30 ORDER 25 1 1 1 1 1 CONECT 26 12 25 31 24 23 28 ORDER 26 1 1 1 1 1 1 CONECT 27 12 21 25 9 10 ORDER 27 1 1 1 1 1 CONECT 28 26 31 30 23 2 4 ORDER 28 1 1 1 1 1 1 CONECT 29 30 33 1 2 46 3 ORDER 29 1 1 1 1 1 1 CONECT 30 25 31 28 1 29 3 ORDER 30 1 1 1 1 1 1 CONECT 31 25 26 30 23 28 4 ORDER 31 1 1 1 1 1 1 CONECT 32 11 7 9 38 37 33 ORDER 32 1 1 1 1 1 1 CONECT 33 32 38 10 37 29 46 ORDER 33 1 1 1 1 1 1 CONECT 34 8 41 38 10 42 43 ORDER 34 1 1 1 1 1 1 CONECT 35 41 49 43 39 56 ORDER 35 1 1 1 1 1 CONECT 36 43 47 65 70 ORDER 36 1 1 1 1 CONECT 37 32 9 38 33 1 48 ORDER 37 1 1 1 1 1 1 CONECT 38 8 32 34 37 33 39 ORDER 38 1 1 1 1 1 1 CONECT 39 38 35 48 ORDER 39 1 1 1 CONECT 40 72 54 49 42 57 56 ORDER 40 1 1 1 1 1 1 CONECT 41 8 44 34 49 35 ORDER 41 1 1 1 1 1 CONECT 42 72 34 49 55 40 43 ORDER 42 1 1 1 1 1 1 CONECT 43 34 42 35 56 36 ORDER 43 1 1 1 1 1 CONECT 44 13 8 15 41 49 ORDER 44 1 1 1 1 1 CONECT 45 46 48 3 69 ORDER 45 1 1 1 1 CONECT 46 33 29 53 48 45 47 ORDER 46 1 1 1 1 1 1 CONECT 47 46 48 36 63 71 70 ORDER 47 1 1 1 1 1 1 CONECT 48 37 1 39 46 45 47 ORDER 48 1 1 1 1 1 1 CONECT 49 44 72 41 42 40 35 ORDER 49 1 1 1 1 1 1 CONECT 50 20 94 72 97 54 55 ORDER 50 1 1 1 1 1 1 CONECT 51 53 91 64 68 66 62 ORDER 51 1 1 1 1 1 1 CONECT 52 89 84 5 69 91 ORDER 52 1 1 1 1 1 CONECT 53 55 2 46 89 63 51 ORDER 53 1 1 1 1 1 1 CONECT 54 94 50 40 61 57 ORDER 54 1 1 1 1 1 CONECT 55 50 75 42 92 57 53 ORDER 55 1 1 1 1 1 1 CONECT 56 40 35 43 60 59 ORDER 56 1 1 1 1 1 CONECT 57 54 55 40 61 60 59 ORDER 57 1 1 1 1 1 1 CONECT 58 61 81 77 60 59 ORDER 58 1 1 1 1 1 CONECT 59 57 56 58 60 65 64 ORDER 59 1 1 1 1 1 1 CONECT 60 57 56 58 59 65 64 ORDER 60 1 1 1 1 1 1 CONECT 61 97 54 80 92 57 58 ORDER 61 1 1 1 1 1 1 CONECT 62 63 51 71 68 70 66 ORDER 62 1 1 1 1 1 1 CONECT 63 53 47 65 71 70 62 ORDER 63 1 1 1 1 1 1 CONECT 64 60 67 51 59 65 66 ORDER 64 1 1 1 1 1 1 CONECT 65 60 36 63 59 64 70 ORDER 65 1 1 1 1 1 1 CONECT 66 67 51 91 64 68 62 ORDER 66 1 1 1 1 1 1 CONECT 67 77 91 64 66 ORDER 67 1 1 1 1 CONECT 68 69 51 91 71 66 62 ORDER 68 1 1 1 1 1 1 CONECT 69 6 45 52 71 68 ORDER 69 1 1 1 1 1 CONECT 70 36 63 47 65 71 62 ORDER 70 1 1 1 1 1 1 CONECT 71 69 63 47 68 70 62 ORDER 71 1 1 1 1 1 1 CONECT 72 20 94 50 49 42 40 ORDER 72 1 1 1 1 1 1 CONECT 73 74 98 18 78 86 75 ORDER 73 1 1 1 1 1 1 CONECT 74 19 98 18 78 86 73 ORDER 74 1 1 1 1 1 1 CONECT 75 73 95 24 76 83 55 ORDER 75 1 1 1 1 1 1 CONECT 76 78 79 85 75 92 77 ORDER 76 1 1 1 1 1 1 CONECT 77 76 92 81 82 58 67 ORDER 77 1 1 1 1 1 1 CONECT 78 74 73 93 79 85 76 ORDER 78 1 1 1 1 1 1 CONECT 79 78 93 76 80 81 ORDER 79 1 1 1 1 1 CONECT 80 93 97 79 92 61 81 ORDER 80 1 1 1 1 1 1 CONECT 81 79 80 77 82 58 ORDER 81 1 1 1 1 1 CONECT 82 85 81 77 84 ORDER 82 1 1 1 1 CONECT 83 86 85 75 87 88 89 ORDER 83 1 1 1 1 1 1 CONECT 84 87 90 82 89 52 ORDER 84 1 1 1 1 1 CONECT 85 78 86 76 87 83 82 ORDER 85 1 1 1 1 1 1 CONECT 86 74 73 22 85 87 83 ORDER 86 1 1 1 1 1 1 CONECT 87 86 22 85 83 90 84 ORDER 87 1 1 1 1 1 1 CONECT 88 23 83 90 2 89 5 ORDER 88 1 1 1 1 1 1 CONECT 89 83 88 53 84 52 91 ORDER 89 1 1 1 1 1 1 CONECT 90 22 23 87 88 84 5 ORDER 90 1 1 1 1 1 1 CONECT 91 89 52 67 51 68 66 ORDER 91 1 1 1 1 1 1 CONECT 92 97 76 80 55 61 77 ORDER 92 1 1 1 1 1 1 CONECT 93 98 78 95 79 80 ORDER 93 1 1 1 1 1 CONECT 94 20 96 72 97 50 54 ORDER 94 1 1 1 1 1 1 CONECT 95 17 98 96 93 75 ORDER 95 1 1 1 1 1 CONECT 96 17 98 20 94 95 97 ORDER 96 1 1 1 1 1 1 CONECT 97 96 94 50 80 92 61 ORDER 97 1 1 1 1 1 1 CONECT 98 19 74 96 73 93 95 ORDER 98 1 1 1 1 1 1 UNIT ENERGY kcalmol ENERGY -4483552.67 END BIOGRF 200 DESCRP Ag20t_sp59 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.23284 12.97211 3.83578 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838283.72 END BIOGRF 200 DESCRP Ag20t_sp50 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.25417 12.07257 3.85487 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838283.89 END BIOGRF 200 DESCRP Ag20t_sp49 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.25654 11.97262 3.85699 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838283.91 END BIOGRF 200 DESCRP Ag20t_sp48 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.25891 11.87267 3.85911 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838283.94 END BIOGRF 200 DESCRP Ag20t_sp47 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.26128 11.77272 3.86123 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838283.98 END BIOGRF 200 DESCRP Ag20t_sp46 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.26365 11.67277 3.86336 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.01 END BIOGRF 200 DESCRP Ag20t_sp45 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.26602 11.57282 3.86548 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.05 END BIOGRF 200 DESCRP Ag20t_sp44 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.26838 11.47287 3.86760 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.09 END BIOGRF 200 DESCRP Ag20t_sp43 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.27075 11.37292 3.86972 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.13 END BIOGRF 200 DESCRP Ag20t_sp42 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.27312 11.27297 3.87184 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.18 END BIOGRF 200 DESCRP Ag20t_sp41 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.27549 11.17303 3.87396 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.23 END BIOGRF 200 DESCRP Ag20t_sp58 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.23521 12.87216 3.83790 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838283.74 END BIOGRF 200 DESCRP Ag20t_sp40 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.27786 11.07307 3.87608 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.28 END BIOGRF 200 DESCRP Ag20t_sp39 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.28023 10.97313 3.87821 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.34 END BIOGRF 200 DESCRP Ag20t_sp38 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.28260 10.87318 3.88033 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.39 END BIOGRF 200 DESCRP Ag20t_sp37 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.28497 10.77323 3.88245 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.45 END BIOGRF 200 DESCRP Ag20t_sp36 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.28734 10.67328 3.88457 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.52 END BIOGRF 200 DESCRP Ag20t_sp35 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.28971 10.57333 3.88669 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.58 END BIOGRF 200 DESCRP Ag20t_sp34 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.29208 10.47338 3.88881 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.65 END BIOGRF 200 DESCRP Ag20_sp99 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.25772 11.92264 3.85805 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.45 END BIOGRF 200 DESCRP Ag20_sp100 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.25654 11.97262 3.85699 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.39 END BIOGRF 200 DESCRP Ag20_sp101 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.25535 12.02260 3.85593 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.33 END BIOGRF 200 DESCRP Ag20_sp102 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.25417 12.07257 3.85487 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.27 END BIOGRF 200 DESCRP Ag20_sp103 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.25298 12.12254 3.85381 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.22 END BIOGRF 200 DESCRP Ag20_sp104 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.25180 12.17252 3.85275 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.17 END BIOGRF 200 DESCRP Ag20_sp105 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.25061 12.22249 3.85169 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.12 END BIOGRF 200 DESCRP Ag20_sp106 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.24943 12.27247 3.85063 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.07 END BIOGRF 200 DESCRP Ag20_sp107 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.24824 12.32244 3.84957 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.03 END BIOGRF 200 DESCRP Ag20_sp108 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.24706 12.37242 3.84850 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838278.99 END BIOGRF 200 DESCRP Ag20_sp9 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.36435 7.42492 3.95352 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838331.86 END BIOGRF 200 DESCRP Ag20_sp109 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.24587 12.42239 3.84745 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838278.95 END BIOGRF 200 DESCRP Ag20_sp110 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.24469 12.47237 3.84638 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838278.91 END BIOGRF 200 DESCRP Ag20_sp111 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.24350 12.52234 3.84532 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838278.87 END BIOGRF 200 DESCRP Ag20_sp112 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.24232 12.57232 3.84426 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838278.84 END BIOGRF 200 DESCRP Ag20_sp113 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.24113 12.62229 3.84320 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838278.80 END BIOGRF 200 DESCRP Ag20_sp114 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.23995 12.67227 3.84214 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838278.77 END BIOGRF 200 DESCRP Ag20_sp115 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.23876 12.72224 3.84108 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838278.74 END BIOGRF 200 DESCRP Ag20_sp116 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.23758 12.77221 3.84002 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838278.71 END BIOGRF 200 DESCRP Ag20_sp117 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.23640 12.82219 3.83896 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838278.69 END BIOGRF 200 DESCRP Ag20_sp118 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.23521 12.87216 3.83790 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838278.66 END BIOGRF 200 DESCRP Ag20_sp10 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.36317 7.47490 3.95246 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838330.45 END BIOGRF 200 DESCRP Ag20_sp119 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.23403 12.92214 3.83684 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838278.64 END BIOGRF 200 DESCRP Ag20_sp120 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.23284 12.97211 3.83578 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838278.61 END BIOGRF 200 DESCRP Ag20_sm1 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.37549 6.95516 3.96349 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838339.93 END BIOGRF 200 DESCRP Ag20_sm2 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.37596 6.93517 3.96392 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838339.85 END BIOGRF 200 DESCRP Ag20_sm3 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.37644 6.91518 3.96434 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838339.71 END BIOGRF 200 DESCRP Ag20_sm4 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.37691 6.89519 3.96476 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838339.50 END BIOGRF 200 DESCRP Ag20_sm5 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.37739 6.87520 3.96519 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838339.23 END BIOGRF 200 DESCRP Ag20_sm6 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.37786 6.85521 3.96561 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838338.90 END BIOGRF 200 DESCRP Ag20_sm7 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.37833 6.83522 3.96604 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838338.48 END BIOGRF 200 DESCRP Ag20_sm8 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.37881 6.81523 3.96646 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838337.99 END BIOGRF 200 DESCRP Ag20_sp11 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.36198 7.52487 3.95140 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838329.02 END BIOGRF 200 DESCRP Ag20_sm9 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.37928 6.79524 3.96689 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838337.41 END BIOGRF 200 DESCRP Ag20_sm10 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.37976 6.77525 3.96731 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838336.75 END BIOGRF 200 DESCRP Ag20_sm11 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38023 6.75526 3.96773 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838335.99 END BIOGRF 200 DESCRP Ag20_sm12 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38070 6.73527 3.96816 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838335.13 END BIOGRF 200 DESCRP Ag20_sm13 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38118 6.71528 3.96858 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838334.16 END BIOGRF 200 DESCRP Ag20_sm14 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38165 6.69529 3.96901 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838333.09 END BIOGRF 200 DESCRP Ag20_sm15 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38212 6.67530 3.96943 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838331.90 END BIOGRF 200 DESCRP Ag20_sm16 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38260 6.65531 3.96986 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838330.58 END BIOGRF 200 DESCRP Ag20_sm17 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38307 6.63532 3.97028 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838329.14 END BIOGRF 200 DESCRP Ag20_sm18 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38355 6.61533 3.97070 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838327.56 END BIOGRF 200 DESCRP Ag20_sp12 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.36080 7.57485 3.95034 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838327.57 END BIOGRF 200 DESCRP Ag20_sm19 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38402 6.59534 3.97113 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838325.84 END BIOGRF 200 DESCRP Ag20_sm20 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38449 6.57535 3.97155 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838323.97 END BIOGRF 200 DESCRP Ag20_sm21 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38497 6.55536 3.97198 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838321.94 END BIOGRF 200 DESCRP Ag20_sm22 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38544 6.53537 3.97240 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838319.75 END BIOGRF 200 DESCRP Ag20_sm23 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38592 6.51538 3.97283 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838317.38 END BIOGRF 200 DESCRP Ag20_sm24 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38639 6.49539 3.97325 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838314.84 END BIOGRF 200 DESCRP Ag20_sm25 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38686 6.47540 3.97367 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838312.10 END BIOGRF 200 DESCRP Ag20_sm26 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38734 6.45541 3.97410 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838309.17 END BIOGRF 200 DESCRP Ag20_sm27 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38781 6.43542 3.97452 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838306.03 END BIOGRF 200 DESCRP Ag20_sm28 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38829 6.41543 3.97495 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838302.68 END BIOGRF 200 DESCRP Ag20_sp13 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.35961 7.62482 3.94928 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838326.11 END BIOGRF 200 DESCRP Ag20_sm29 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38876 6.39544 3.97537 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838299.10 END BIOGRF 200 DESCRP Ag20_sm30 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38923 6.37545 3.97580 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838295.29 END BIOGRF 200 DESCRP Ag20_sm31 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.38971 6.35546 3.97622 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838291.24 END BIOGRF 200 DESCRP Ag20_sm32 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.39018 6.33547 3.97664 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838286.94 END BIOGRF 200 DESCRP Ag20_sm33 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.39066 6.31548 3.97707 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838282.37 END BIOGRF 200 DESCRP Ag20_sm34 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.39113 6.29549 3.97749 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838277.53 END BIOGRF 200 DESCRP Ag20_sm35 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.39160 6.27550 3.97792 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838272.41 END BIOGRF 200 DESCRP Ag20_sp14 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.35843 7.67479 3.94822 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838324.65 END BIOGRF 200 DESCRP Ag20_sp15 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.35724 7.72477 3.94716 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838323.20 END BIOGRF 200 DESCRP Ag20_sp16 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.35606 7.77475 3.94610 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838321.77 END BIOGRF 200 DESCRP Ag20_sp17 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.35487 7.82472 3.94503 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838320.35 END BIOGRF 200 DESCRP Ag20_sp18 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.35369 7.87469 3.94397 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838318.95 END BIOGRF 200 DESCRP Ag20_sp0 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.37502 6.97515 3.96307 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838339.95 END BIOGRF 200 DESCRP Ag20_sp19 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.35250 7.92467 3.94291 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838317.58 END BIOGRF 200 DESCRP Ag20_sp20 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.35132 7.97464 3.94185 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838316.24 END BIOGRF 200 DESCRP Ag20_sp21 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.35014 8.02462 3.94079 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838314.93 END BIOGRF 200 DESCRP Ag20_sp22 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.34895 8.07459 3.93973 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838313.65 END BIOGRF 200 DESCRP Ag20_sp23 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.34777 8.12457 3.93867 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838312.41 END BIOGRF 200 DESCRP Ag20_sp24 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.34658 8.17454 3.93761 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838311.19 END BIOGRF 200 DESCRP Ag20_sp25 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.34540 8.22452 3.93655 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838310.01 END BIOGRF 200 DESCRP Ag20_sp26 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.34421 8.27449 3.93549 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838308.86 END BIOGRF 200 DESCRP Ag20_sp27 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.34303 8.32447 3.93443 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838307.75 END BIOGRF 200 DESCRP Ag20_sp28 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.34184 8.37444 3.93337 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838306.67 END BIOGRF 200 DESCRP Ag20_sp1 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.37383 7.02512 3.96201 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838339.80 END BIOGRF 200 DESCRP Ag20_sp29 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.34066 8.42442 3.93230 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838305.62 END BIOGRF 200 DESCRP Ag20_sp30 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.33947 8.47439 3.93124 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838304.61 END BIOGRF 200 DESCRP Ag20_sp31 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.33829 8.52436 3.93018 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838303.63 END BIOGRF 200 DESCRP Ag20_sp32 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.33710 8.57434 3.92912 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838302.67 END BIOGRF 200 DESCRP Ag20_sp33 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.33592 8.62431 3.92806 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838301.75 END BIOGRF 200 DESCRP Ag20_sp34 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.33473 8.67429 3.92700 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838300.86 END BIOGRF 200 DESCRP Ag20_sp35 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.33355 8.72426 3.92594 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838300.01 END BIOGRF 200 DESCRP Ag20_sp36 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.33236 8.77424 3.92488 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838299.18 END BIOGRF 200 DESCRP Ag20_sp37 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.33118 8.82421 3.92382 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838298.37 END BIOGRF 200 DESCRP Ag20_sp38 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.32999 8.87419 3.92276 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838297.60 END BIOGRF 200 DESCRP Ag20_sp2 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.37265 7.07510 3.96095 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838339.37 END BIOGRF 200 DESCRP Ag20_sp39 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.32881 8.92416 3.92170 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838296.85 END BIOGRF 200 DESCRP Ag20_sp40 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.32762 8.97414 3.92064 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838296.12 END BIOGRF 200 DESCRP Ag20_sp41 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.32644 9.02411 3.91958 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838295.42 END BIOGRF 200 DESCRP Ag20_sp42 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.32525 9.07409 3.91852 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838294.75 END BIOGRF 200 DESCRP Ag20_sp43 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.32407 9.12406 3.91745 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838294.10 END BIOGRF 200 DESCRP Ag20_sp44 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.32289 9.17404 3.91639 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838293.47 END BIOGRF 200 DESCRP Ag20_sp45 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.32170 9.22401 3.91533 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838292.86 END BIOGRF 200 DESCRP Ag20_sp46 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.32052 9.27399 3.91427 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838292.28 END BIOGRF 200 DESCRP Ag20_sp47 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.31933 9.32396 3.91321 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838291.72 END BIOGRF 200 DESCRP Ag20_sp48 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.31815 9.37393 3.91215 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838291.17 END BIOGRF 200 DESCRP Ag20_sp3 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.37146 7.12507 3.95988 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838338.72 END BIOGRF 200 DESCRP Ag20_sp49 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.31696 9.42391 3.91109 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838290.65 END BIOGRF 200 DESCRP Ag20_sp50 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.31578 9.47388 3.91003 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838290.14 END BIOGRF 200 DESCRP Ag20_sp51 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.31459 9.52386 3.90897 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838289.66 END BIOGRF 200 DESCRP Ag20_sp52 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.31341 9.57383 3.90791 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838289.19 END BIOGRF 200 DESCRP Ag20_sp53 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.31222 9.62381 3.90685 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838288.74 END BIOGRF 200 DESCRP Ag20_sp54 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.31104 9.67378 3.90579 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838288.30 END BIOGRF 200 DESCRP Ag20_sp55 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.30985 9.72376 3.90473 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838287.88 END BIOGRF 200 DESCRP Ag20_sp56 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.30867 9.77373 3.90367 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838287.48 END BIOGRF 200 DESCRP Ag20_sp57 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.30748 9.82371 3.90260 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838287.09 END BIOGRF 200 DESCRP Ag20_sp58 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.30630 9.87368 3.90154 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838286.72 END BIOGRF 200 DESCRP Ag20_sp4 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.37028 7.17505 3.95882 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838337.88 END BIOGRF 200 DESCRP Ag20_sp59 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.30511 9.92366 3.90048 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838286.36 END BIOGRF 200 DESCRP Ag20_sp60 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.30393 9.97363 3.89942 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838286.01 END BIOGRF 200 DESCRP Ag20_sp61 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.30274 10.02361 3.89836 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838285.68 END BIOGRF 200 DESCRP Ag20_sp62 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.30156 10.07358 3.89730 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838285.36 END BIOGRF 200 DESCRP Ag20_sp63 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.30037 10.12356 3.89624 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838285.06 END BIOGRF 200 DESCRP Ag20_sp64 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.29919 10.17353 3.89518 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.76 END BIOGRF 200 DESCRP Ag20_sp65 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.29800 10.22350 3.89412 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.48 END BIOGRF 200 DESCRP Ag20_sp66 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.29682 10.27348 3.89306 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838284.20 END BIOGRF 200 DESCRP Ag20_sp67 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.29563 10.32345 3.89200 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838283.94 END BIOGRF 200 DESCRP Ag20_sp68 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.29445 10.37343 3.89094 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838283.69 END BIOGRF 200 DESCRP Ag20_sp5 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.36909 7.22502 3.95776 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838336.88 END BIOGRF 200 DESCRP Ag20_sp69 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.29327 10.42340 3.88987 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838283.45 END BIOGRF 200 DESCRP Ag20_sp70 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.29208 10.47338 3.88881 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838283.22 END BIOGRF 200 DESCRP Ag20_sp71 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.29090 10.52335 3.88775 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838283.00 END BIOGRF 200 DESCRP Ag20_sp72 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.28971 10.57333 3.88669 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838282.78 END BIOGRF 200 DESCRP Ag20_sp73 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.28853 10.62330 3.88563 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838282.58 END BIOGRF 200 DESCRP Ag20_sp74 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.28734 10.67328 3.88457 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838282.38 END BIOGRF 200 DESCRP Ag20_sp75 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.28616 10.72325 3.88351 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838282.20 END BIOGRF 200 DESCRP Ag20_sp76 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.28497 10.77323 3.88245 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838282.02 END BIOGRF 200 DESCRP Ag20_sp77 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.28379 10.82320 3.88139 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838281.84 END BIOGRF 200 DESCRP Ag20_sp78 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.28260 10.87318 3.88033 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838281.68 END BIOGRF 200 DESCRP Ag20_sp6 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.36791 7.27500 3.95670 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838335.75 END BIOGRF 200 DESCRP Ag20_sp79 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.28142 10.92315 3.87927 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838281.52 END BIOGRF 200 DESCRP Ag20_sp80 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.28023 10.97313 3.87821 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838281.37 END BIOGRF 200 DESCRP Ag20_sp81 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.27905 11.02310 3.87715 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838281.22 END BIOGRF 200 DESCRP Ag20_sp82 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.27786 11.07307 3.87608 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838281.08 END BIOGRF 200 DESCRP Ag20_sp83 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.27668 11.12305 3.87502 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838280.95 END BIOGRF 200 DESCRP Ag20_sp84 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.27549 11.17303 3.87396 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838280.82 END BIOGRF 200 DESCRP Ag20_sp85 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.27431 11.22300 3.87290 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838280.70 END BIOGRF 200 DESCRP Ag20_sp86 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.27312 11.27297 3.87184 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838280.58 END BIOGRF 200 DESCRP Ag20_sp87 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.27194 11.32295 3.87078 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838280.47 END BIOGRF 200 DESCRP Ag20_sp88 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.27075 11.37292 3.86972 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838280.36 END BIOGRF 200 DESCRP Ag20_sp7 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.36672 7.32497 3.95564 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838334.53 END BIOGRF 200 DESCRP Ag20_sp89 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.26957 11.42290 3.86866 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838280.26 END BIOGRF 200 DESCRP Ag20_sp90 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.26838 11.47287 3.86760 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838280.16 END BIOGRF 200 DESCRP Ag20_sp91 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.26720 11.52285 3.86654 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838280.07 END BIOGRF 200 DESCRP Ag20_sp92 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.26602 11.57282 3.86548 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.98 END BIOGRF 200 DESCRP Ag20_sp93 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.26483 11.62280 3.86442 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.89 END BIOGRF 200 DESCRP Ag20_sp94 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.26365 11.67277 3.86336 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.81 END BIOGRF 200 DESCRP Ag20_sp95 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.26246 11.72275 3.86230 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.73 END BIOGRF 200 DESCRP Ag20_sp96 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.26128 11.77272 3.86123 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.66 END BIOGRF 200 DESCRP Ag20_sp97 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.26009 11.82270 3.86017 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.58 END BIOGRF 200 DESCRP Ag20_sp98 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.25891 11.87267 3.85911 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838279.52 END BIOGRF 200 DESCRP Ag20_sp8 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.79161 0 1 0 0.00000 HETATM 3 Ag 2.54038 0.00000 4.11112 0 1 0 0.00000 HETATM 4 Ag 2.49651 0.02658 1.24892 0 1 0 0.00000 HETATM 5 Ag 4.94960 0.11261 2.56915 0 1 0 0.00000 HETATM 6 Ag 5.03616 0.17693 5.50197 0 1 0 0.00000 HETATM 7 Ag 7.36386 0.25875 3.96308 0 1 0 0.00000 HETATM 8 Ag 0.08222 0.06108 5.57683 0 1 0 0.00000 HETATM 9 Ag 2.66529 0.15178 6.96698 0 1 0 0.00000 HETATM 10 Ag 0.24680 0.18325 8.36089 0 1 0 0.00000 HETATM 11 Ag 0.74652 2.38242 1.24894 0 1 0 0.00000 HETATM 12 Ag 3.31102 2.45939 2.51861 0 1 0 0.00000 HETATM 13 Ag 5.78269 2.55939 3.95937 0 1 0 0.00000 HETATM 14 Ag 3.40037 2.52573 5.54619 0 1 0 0.00000 HETATM 15 Ag 0.73386 2.43201 4.11113 0 1 0 0.00000 HETATM 16 Ag 0.91528 2.50773 6.96699 0 1 0 0.00000 HETATM 17 Ag 1.53761 4.70607 2.56927 0 1 0 0.00000 HETATM 18 Ag 4.12074 4.79677 3.95933 0 1 0 0.00000 HETATM 19 Ag 1.62423 4.77029 5.50198 0 1 0 0.00000 HETATM 20 Ag 2.36554 7.37495 3.95458 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -1838333.22 END BIOGRF 200 DESCRP Ag20p RUTYPE NORMAL FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 4.92083 -0.66100 -1.26424 0 1 0 -0.21129 HETATM 2 Ag 2.89057 1.25300 -1.17638 0 1 0 -0.00531 HETATM 3 Ag 0.23377 0.38795 -1.79909 0 1 0 0.22712 HETATM 4 Ag 2.34050 -1.54950 -1.85207 0 1 0 -0.00525 HETATM 5 Ag -0.27204 -2.37141 -2.36894 0 1 0 -0.00530 HETATM 6 Ag -2.47294 -0.43448 -2.23722 0 1 0 -0.00527 HETATM 7 Ag -2.92170 -3.12845 -2.81535 0 1 0 -0.21127 HETATM 8 Ag 0.80042 3.09245 -1.05130 0 1 0 -0.00526 HETATM 9 Ag -1.95054 2.22694 -1.59545 0 1 0 -0.00530 HETATM 10 Ag -1.35353 4.86083 -0.88884 0 1 0 -0.21128 HETATM 11 Ag 3.13891 -0.82790 0.87818 0 1 0 -0.00528 HETATM 12 Ag 0.49014 -1.76018 0.32185 0 1 0 0.22710 HETATM 13 Ag -2.22466 -2.51535 -0.18261 0 1 0 -0.00529 HETATM 14 Ag -1.78186 0.23936 0.45778 0 1 0 0.22715 HETATM 15 Ag 1.05798 1.13284 1.01942 0 1 0 0.22719 HETATM 16 Ag -1.15212 2.94853 1.13491 0 1 0 -0.00527 HETATM 17 Ag 1.28455 -0.96448 2.95451 0 1 0 -0.00524 HETATM 18 Ag -1.46639 -1.83009 2.41034 0 1 0 -0.00529 HETATM 19 Ag -0.91630 0.97236 3.08611 0 1 0 -0.00532 HETATM 20 Ag -0.64560 -1.07143 4.96839 0 1 0 -0.21129 FORMAT CONECT (a6,12i6) CONECT 1 4 2 11 ORDER 1 1 1 1 CONECT 2 4 3 1 8 11 15 ORDER 2 1 1 1 1 1 1 CONECT 3 5 6 4 9 2 8 ORDER 3 1 1 1 1 1 1 CONECT 4 5 3 1 2 12 11 ORDER 4 1 1 1 1 1 1 CONECT 5 7 6 4 3 13 12 ORDER 5 1 1 1 1 1 1 CONECT 6 7 5 3 9 13 14 ORDER 6 1 1 1 1 1 1 CONECT 7 5 6 13 ORDER 7 1 1 1 CONECT 8 3 9 2 10 15 16 ORDER 8 1 1 1 1 1 1 CONECT 9 6 3 8 10 14 16 ORDER 9 1 1 1 1 1 1 CONECT 10 9 8 16 ORDER 10 1 1 1 CONECT 11 4 1 2 12 15 17 ORDER 11 1 1 1 1 1 1 CONECT 12 5 4 13 11 18 17 ORDER 12 1 1 1 1 1 1 CONECT 13 7 5 6 12 14 18 ORDER 13 1 1 1 1 1 1 CONECT 14 6 9 13 16 18 19 ORDER 14 1 1 1 1 1 1 CONECT 15 2 8 11 16 17 19 ORDER 15 1 1 1 1 1 1 CONECT 16 9 8 10 14 15 19 ORDER 16 1 1 1 1 1 1 CONECT 17 12 11 15 18 19 20 ORDER 17 1 1 1 1 1 1 CONECT 18 13 12 14 17 19 20 ORDER 18 1 1 1 1 1 1 CONECT 19 14 15 16 18 17 20 ORDER 19 1 1 1 1 1 1 CONECT 20 18 17 19 ORDER 20 1 1 1 UNIT ENERGY kcal ENERGY 0.00 END BIOGRF 200 DESCRP Ag2_sm9 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.13432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183756.02 END BIOGRF 200 DESCRP Ag2_sm10 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.08432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183743.66 END BIOGRF 200 DESCRP Ag2_sm11 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.03432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183727.93 END BIOGRF 200 DESCRP Ag2_sm12 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 1.98432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183708.08 END BIOGRF 200 DESCRP Ag2_sm13 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 1.93432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183683.18 END BIOGRF 200 DESCRP Ag2_sm14 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 1.88432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183652.07 END BIOGRF 200 DESCRP Ag2_sm0 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.58432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183790.18 END BIOGRF 200 DESCRP Ag2_sm1 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.53432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183789.97 END BIOGRF 200 DESCRP Ag2_sm2 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.48432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183789.27 END BIOGRF 200 DESCRP Ag2_sm3 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.43432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183787.97 END BIOGRF 200 DESCRP Ag2_sm4 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.38432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183785.91 END BIOGRF 200 DESCRP Ag2_sm5 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.33432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183782.90 END BIOGRF 200 DESCRP Ag2_sm6 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.28432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183778.72 END BIOGRF 200 DESCRP Ag2_sm7 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.23432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183773.09 END BIOGRF 200 DESCRP Ag2_sm8 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.18432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183765.66 END BIOGRF 200 DESCRP Ag2_sp9 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.48432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183770.08 END BIOGRF 200 DESCRP Ag2_sp10 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.58432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183767.76 END BIOGRF 200 DESCRP Ag2_sp11 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.68432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183765.58 END BIOGRF 200 DESCRP Ag2_sp12 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.78432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183763.53 END BIOGRF 200 DESCRP Ag2_sp13 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.88432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183761.62 END BIOGRF 200 DESCRP Ag2_sp14 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.98432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183759.83 END BIOGRF 200 DESCRP Ag2_sp15 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.08432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183758.18 END BIOGRF 200 DESCRP Ag2_sp16 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.18432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183756.64 END BIOGRF 200 DESCRP Ag2_sp17 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.28432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183755.21 END BIOGRF 200 DESCRP Ag2_sp18 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.38432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183753.89 END BIOGRF 200 DESCRP Ag2_sp0 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.58432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183790.18 END BIOGRF 200 DESCRP Ag2_sp19 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.48432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183752.68 END BIOGRF 200 DESCRP Ag2_sp20 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.58432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.56 END BIOGRF 200 DESCRP Ag2_sp21 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.68432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183750.53 END BIOGRF 200 DESCRP Ag2_sp22 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.78432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.58 END BIOGRF 200 DESCRP Ag2_sp23 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.88432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.72 END BIOGRF 200 DESCRP Ag2_sp24 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.98432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183747.92 END BIOGRF 200 DESCRP Ag2_sp25 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.08432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183747.20 END BIOGRF 200 DESCRP Ag2_sp26 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.18432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183746.54 END BIOGRF 200 DESCRP Ag2_sp27 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.28432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183745.94 END BIOGRF 200 DESCRP Ag2_sp28 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.38432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183745.39 END BIOGRF 200 DESCRP Ag2_sp1 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.68432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183789.51 END BIOGRF 200 DESCRP Ag2_sp29 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.48432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183744.89 END BIOGRF 200 DESCRP Ag2_sp30 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.58432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183744.44 END BIOGRF 200 DESCRP Ag2_sp31 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.68432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183744.03 END BIOGRF 200 DESCRP Ag2_sp32 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.78432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183743.65 END BIOGRF 200 DESCRP Ag2_sp33 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.88432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183743.31 END BIOGRF 200 DESCRP Ag2_sp34 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.98432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183743.01 END BIOGRF 200 DESCRP Ag2_sp35 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.08432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183742.73 END BIOGRF 200 DESCRP Ag2_sp36 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.18432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183742.47 END BIOGRF 200 DESCRP Ag2_sp37 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.28432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183742.24 END BIOGRF 200 DESCRP Ag2_sp38 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.38432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183742.03 END BIOGRF 200 DESCRP Ag2_sp2 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.78432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183787.88 END BIOGRF 200 DESCRP Ag2_sp39 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.48432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183741.85 END BIOGRF 200 DESCRP Ag2_sp40 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.58432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183741.67 END BIOGRF 200 DESCRP Ag2_sp41 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.68432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183741.52 END BIOGRF 200 DESCRP Ag2_sp42 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.78432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183741.38 END BIOGRF 200 DESCRP Ag2_sp43 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.88432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183741.25 END BIOGRF 200 DESCRP Ag2_sp44 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.98432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183741.14 END BIOGRF 200 DESCRP Ag2_sp45 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.08432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183741.04 END BIOGRF 200 DESCRP Ag2_sp46 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.18432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183740.94 END BIOGRF 200 DESCRP Ag2_sp47 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.28432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183740.86 END BIOGRF 200 DESCRP Ag2_sp48 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.38432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183740.78 END BIOGRF 200 DESCRP Ag2_sp3 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.88432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183785.66 END BIOGRF 200 DESCRP Ag2_sp49 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.48432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183740.71 END BIOGRF 200 DESCRP Ag2_sp50 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.58432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183740.65 END BIOGRF 200 DESCRP Ag2_sp4 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.98432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183783.13 END BIOGRF 200 DESCRP Ag2_sp5 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.08432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183780.45 END BIOGRF 200 DESCRP Ag2_sp6 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.18432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183777.75 END BIOGRF 200 DESCRP Ag2_sp7 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.28432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183775.10 END BIOGRF 200 DESCRP Ag2_sp8 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.38432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183772.53 END BIOGRF 200 DESCRP Ag2t_sp99 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.53432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.92 END BIOGRF 200 DESCRP Ag2t_sp100 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.58432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.92 END BIOGRF 200 DESCRP Ag2t_sp101 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.63432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.91 END BIOGRF 200 DESCRP Ag2t_sp102 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.68432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.91 END BIOGRF 200 DESCRP Ag2t_sp103 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.73432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.91 END BIOGRF 200 DESCRP Ag2t_sp104 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.78432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.91 END BIOGRF 200 DESCRP Ag2t_sp105 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.83432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.90 END BIOGRF 200 DESCRP Ag2t_sp106 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.88432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.90 END BIOGRF 200 DESCRP Ag2t_sp107 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.93432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.90 END BIOGRF 200 DESCRP Ag2t_sp108 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.98432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.90 END BIOGRF 200 DESCRP Ag2t_sp9 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.03432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.92 END BIOGRF 200 DESCRP Ag2t_sp109 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.03432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.90 END BIOGRF 200 DESCRP Ag2t_sp110 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.08432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.90 END BIOGRF 200 DESCRP Ag2t_sp111 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.13432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.90 END BIOGRF 200 DESCRP Ag2t_sp112 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.18432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.89 END BIOGRF 200 DESCRP Ag2t_sp113 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.23432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.89 END BIOGRF 200 DESCRP Ag2t_sp114 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.28432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.89 END BIOGRF 200 DESCRP Ag2t_sp115 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.33432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.89 END BIOGRF 200 DESCRP Ag2t_sp116 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.38432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.89 END BIOGRF 200 DESCRP Ag2t_sp117 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.43432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.89 END BIOGRF 200 DESCRP Ag2t_sp118 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.48432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.89 END BIOGRF 200 DESCRP Ag2t_sp10 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.08432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.89 END BIOGRF 200 DESCRP Ag2t_sp119 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.53432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.89 END BIOGRF 200 DESCRP Ag2t_sp120 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.58432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.89 END BIOGRF 200 DESCRP Ag2t_sp121 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.63432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.89 END BIOGRF 200 DESCRP Ag2t_sp122 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.68432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.88 END BIOGRF 200 DESCRP Ag2t_sp123 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.73432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.88 END BIOGRF 200 DESCRP Ag2t_sp124 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.78432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.88 END BIOGRF 200 DESCRP Ag2t_sp125 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.83432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.88 END BIOGRF 200 DESCRP Ag2t_sp126 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.88432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.88 END BIOGRF 200 DESCRP Ag2t_sp127 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.93432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.88 END BIOGRF 200 DESCRP Ag2t_sp128 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 8.98432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.88 END BIOGRF 200 DESCRP Ag2t_sp11 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.13432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.82 END BIOGRF 200 DESCRP Ag2t_sp129 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 9.03432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.88 END BIOGRF 200 DESCRP Ag2t_sp130 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 9.08432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.88 END BIOGRF 200 DESCRP Ag2t_sp12 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.18432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.74 END BIOGRF 200 DESCRP Ag2t_sp13 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.23432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.64 END BIOGRF 200 DESCRP Ag2t_sp14 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.28432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.53 END BIOGRF 200 DESCRP Ag2t_sp15 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.33432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.41 END BIOGRF 200 DESCRP Ag2t_sp16 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.38432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.29 END BIOGRF 200 DESCRP Ag2t_sp17 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.43432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.17 END BIOGRF 200 DESCRP Ag2t_sp18 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.48432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.06 END BIOGRF 200 DESCRP Ag2t_sp0 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.58432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183747.21 END BIOGRF 200 DESCRP Ag2t_sp19 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.53432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183750.95 END BIOGRF 200 DESCRP Ag2t_sp20 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.58432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183750.84 END BIOGRF 200 DESCRP Ag2t_sp21 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.63432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183750.73 END BIOGRF 200 DESCRP Ag2t_sp22 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.68432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183750.63 END BIOGRF 200 DESCRP Ag2t_sp23 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.73432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183750.54 END BIOGRF 200 DESCRP Ag2t_sp24 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.78432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183750.45 END BIOGRF 200 DESCRP Ag2t_sp25 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.83432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183750.37 END BIOGRF 200 DESCRP Ag2t_sp26 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.88432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183750.29 END BIOGRF 200 DESCRP Ag2t_sp27 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.93432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183750.21 END BIOGRF 200 DESCRP Ag2t_sp28 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 3.98432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183750.14 END BIOGRF 200 DESCRP Ag2t_sp1 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.63432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.61 END BIOGRF 200 DESCRP Ag2t_sp29 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.03432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183750.07 END BIOGRF 200 DESCRP Ag2t_sp30 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.08432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183750.01 END BIOGRF 200 DESCRP Ag2t_sp31 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.13432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.95 END BIOGRF 200 DESCRP Ag2t_sp32 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.18432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.89 END BIOGRF 200 DESCRP Ag2t_sp33 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.23432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.83 END BIOGRF 200 DESCRP Ag2t_sp34 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.28432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.78 END BIOGRF 200 DESCRP Ag2t_sp35 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.33432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.74 END BIOGRF 200 DESCRP Ag2t_sp36 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.38432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.69 END BIOGRF 200 DESCRP Ag2t_sp37 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.43432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.65 END BIOGRF 200 DESCRP Ag2t_sp38 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.48432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.61 END BIOGRF 200 DESCRP Ag2t_sp2 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.68432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.67 END BIOGRF 200 DESCRP Ag2t_sp39 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.53432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.57 END BIOGRF 200 DESCRP Ag2t_sp40 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.58432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.53 END BIOGRF 200 DESCRP Ag2t_sp41 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.63432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.50 END BIOGRF 200 DESCRP Ag2t_sp42 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.68432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.47 END BIOGRF 200 DESCRP Ag2t_sp43 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.73432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.44 END BIOGRF 200 DESCRP Ag2t_sp44 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.78432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.42 END BIOGRF 200 DESCRP Ag2t_sp45 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.83432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.39 END BIOGRF 200 DESCRP Ag2t_sp46 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.88432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.37 END BIOGRF 200 DESCRP Ag2t_sp47 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.93432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.34 END BIOGRF 200 DESCRP Ag2t_sp48 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 4.98432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.32 END BIOGRF 200 DESCRP Ag2t_sp3 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.73432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183750.46 END BIOGRF 200 DESCRP Ag2t_sp49 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.03432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.30 END BIOGRF 200 DESCRP Ag2t_sp50 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.08432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.29 END BIOGRF 200 DESCRP Ag2t_sp51 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.13432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.27 END BIOGRF 200 DESCRP Ag2t_sp52 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.18432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.25 END BIOGRF 200 DESCRP Ag2t_sp53 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.23432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.24 END BIOGRF 200 DESCRP Ag2t_sp54 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.28432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.23 END BIOGRF 200 DESCRP Ag2t_sp55 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.33432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.21 END BIOGRF 200 DESCRP Ag2t_sp56 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.38432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.20 END BIOGRF 200 DESCRP Ag2t_sp57 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.43432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.19 END BIOGRF 200 DESCRP Ag2t_sp58 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.48432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.18 END BIOGRF 200 DESCRP Ag2t_sp4 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.78432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.03 END BIOGRF 200 DESCRP Ag2t_sp59 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.53432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.16 END BIOGRF 200 DESCRP Ag2t_sp60 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.58432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.15 END BIOGRF 200 DESCRP Ag2t_sp61 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.63432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.14 END BIOGRF 200 DESCRP Ag2t_sp62 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.68432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.13 END BIOGRF 200 DESCRP Ag2t_sp63 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.73432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.13 END BIOGRF 200 DESCRP Ag2t_sp64 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.78432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.12 END BIOGRF 200 DESCRP Ag2t_sp65 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.83432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.11 END BIOGRF 200 DESCRP Ag2t_sp66 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.88432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.10 END BIOGRF 200 DESCRP Ag2t_sp67 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.93432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.09 END BIOGRF 200 DESCRP Ag2t_sp68 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 5.98432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.08 END BIOGRF 200 DESCRP Ag2t_sp5 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.83432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.42 END BIOGRF 200 DESCRP Ag2t_sp69 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.03432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.07 END BIOGRF 200 DESCRP Ag2t_sp70 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.08432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.07 END BIOGRF 200 DESCRP Ag2t_sp71 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.13432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.06 END BIOGRF 200 DESCRP Ag2t_sp72 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.18432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.05 END BIOGRF 200 DESCRP Ag2t_sp73 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.23432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.04 END BIOGRF 200 DESCRP Ag2t_sp74 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.28432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.04 END BIOGRF 200 DESCRP Ag2t_sp75 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.33432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.03 END BIOGRF 200 DESCRP Ag2t_sp76 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.38432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.02 END BIOGRF 200 DESCRP Ag2t_sp77 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.43432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.02 END BIOGRF 200 DESCRP Ag2t_sp78 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.48432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.01 END BIOGRF 200 DESCRP Ag2t_sp6 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.88432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.68 END BIOGRF 200 DESCRP Ag2t_sp79 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.53432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.00 END BIOGRF 200 DESCRP Ag2t_sp80 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.58432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183749.00 END BIOGRF 200 DESCRP Ag2t_sp81 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.63432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.99 END BIOGRF 200 DESCRP Ag2t_sp82 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.68432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.99 END BIOGRF 200 DESCRP Ag2t_sp83 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.73432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.98 END BIOGRF 200 DESCRP Ag2t_sp84 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.78432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.98 END BIOGRF 200 DESCRP Ag2t_sp85 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.83432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.97 END BIOGRF 200 DESCRP Ag2t_sp86 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.88432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.97 END BIOGRF 200 DESCRP Ag2t_sp87 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.93432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.96 END BIOGRF 200 DESCRP Ag2t_sp88 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 6.98432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.96 END BIOGRF 200 DESCRP Ag2t_sp7 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.93432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.83 END BIOGRF 200 DESCRP Ag2t_sp89 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.03432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.95 END BIOGRF 200 DESCRP Ag2t_sp90 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.08432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.95 END BIOGRF 200 DESCRP Ag2t_sp91 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.13432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.94 END BIOGRF 200 DESCRP Ag2t_sp92 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.18432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.94 END BIOGRF 200 DESCRP Ag2t_sp93 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.23432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.94 END BIOGRF 200 DESCRP Ag2t_sp94 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.28432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.93 END BIOGRF 200 DESCRP Ag2t_sp95 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.33432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.93 END BIOGRF 200 DESCRP Ag2t_sp96 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.38432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.93 END BIOGRF 200 DESCRP Ag2t_sp97 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.43432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.92 END BIOGRF 200 DESCRP Ag2t_sp98 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 7.48432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183748.92 END BIOGRF 200 DESCRP Ag2t_sp8 RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 0.00000 0.00000 2.98432 0 1 0 0.00000 UNIT ENERGY kcalmol ENERGY -183751.91 END XTLGRF 200 DESCRP Ag_atom REMARK .bgf-file generated by xtob-script RUTYPE SINGLE POINT FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 UNIT ENERGY kcal ENERGY -0.522482 END XTLGRF 200 DESCRP Agbccexp290 REMARK .bgf-file generated by xtob-script RUTYPE SINGLE POINT CRYSTX 2.90000 2.90000 2.90000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.45000 1.45000 1.45000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 1 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 2 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -81.001353 END XTLGRF 200 DESCRP Agbccexp300 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.00000 3.00000 3.00000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.50000 1.50000 1.50000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 1 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 2 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -110.167485 END XTLGRF 200 DESCRP Agbccexp310 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.10000 3.10000 3.10000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.55000 1.55000 1.55000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 1 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 2 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -128.331079 END XTLGRF 200 DESCRP Agbccexp315 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.15000 3.15000 3.15000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.57500 1.57500 1.57500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 1 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 2 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -134.116910 END XTLGRF 200 DESCRP Agbccexp320 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.20000 3.20000 3.20000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.60000 1.60000 1.60000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 1 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 2 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -138.105962 END XTLGRF 200 DESCRP Agbccexp325 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.25000 3.25000 3.25000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.62500 1.62500 1.62500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 CONECT 2 1 1 1 1 1 1 1 1 UNIT ENERGY kcal ENERGY -140.538534 END XTLGRF 200 DESCRP Agbccexp330 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.30000 3.30000 3.30000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.65000 1.65000 1.65000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 CONECT 2 1 1 1 1 1 1 1 1 UNIT ENERGY kcal ENERGY -141.647246 END XTLGRF 200 DESCRP Agbccexp333 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.33000 3.33000 3.33000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.66500 1.66500 1.66500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 CONECT 2 1 1 1 1 1 1 1 1 UNIT ENERGY kcal ENERGY -141.771281 END XTLGRF 200 DESCRP Agbccexp335 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.35000 3.35000 3.35000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.67500 1.67500 1.67500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 CONECT 2 1 1 1 1 1 1 1 1 UNIT ENERGY kcal ENERGY -141.656188 END XTLGRF 200 DESCRP Agbccexp340 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.40000 3.40000 3.40000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.70000 1.70000 1.70000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 CONECT 2 1 1 1 1 1 1 1 1 UNIT ENERGY kcal ENERGY -140.765069 END XTLGRF 200 DESCRP Agbccexp345 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.45000 3.45000 3.45000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.72500 1.72500 1.72500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 CONECT 2 1 1 1 1 1 1 1 1 UNIT ENERGY kcal ENERGY -139.151268 END XTLGRF 200 DESCRP Agbccexp350 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.50000 3.50000 3.50000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.75000 1.75000 1.75000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 CONECT 2 1 1 1 1 1 1 1 1 UNIT ENERGY kcal ENERGY -136.971704 END XTLGRF 200 DESCRP Agbccexp355 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.55000 3.55000 3.55000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.77500 1.77500 1.77500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 CONECT 2 1 1 1 1 1 1 1 1 UNIT ENERGY kcal ENERGY -134.364999 END XTLGRF 200 DESCRP Agbccexp360 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.60000 3.60000 3.60000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.80000 1.80000 1.80000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 CONECT 2 1 1 1 1 1 1 1 1 UNIT ENERGY kcal ENERGY -131.455490 END XTLGRF 200 DESCRP Agbccexp370 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.70000 3.70000 3.70000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.85000 1.85000 1.85000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 CONECT 2 1 1 1 1 1 1 1 1 UNIT ENERGY kcal ENERGY -125.238721 END XTLGRF 200 DESCRP Agfccexp_370 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.70000 3.70000 3.70000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.85000 1.85000 0.00000 0 1 0 0.00000 HETATM 3 Ag 1.85000 0.00000 1.85000 0 1 0 0.00000 HETATM 4 Ag 0.00000 1.85000 1.85000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -184.294370 END XTLGRF 200 DESCRP Agfccexp_380 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.80000 3.80000 3.80000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.90000 1.90000 0.00000 0 1 0 0.00000 HETATM 3 Ag 1.90000 0.00000 1.90000 0 1 0 0.00000 HETATM 4 Ag 0.00000 1.90000 1.90000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -226.370052 END XTLGRF 200 DESCRP Agfccexp_385 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.85000 3.85000 3.85000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.92500 1.92500 0.00000 0 1 0 0.00000 HETATM 3 Ag 1.92500 0.00000 1.92500 0 1 0 0.00000 HETATM 4 Ag 0.00000 1.92500 1.92500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -242.373803 END XTLGRF 200 DESCRP Agfccexp_390 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.90000 3.90000 3.90000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.95000 1.95000 0.00000 0 1 0 0.00000 HETATM 3 Ag 1.95000 0.00000 1.95000 0 1 0 0.00000 HETATM 4 Ag 0.00000 1.95000 1.95000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -255.475473 END XTLGRF 200 DESCRP Agfccexp_395 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.95000 3.95000 3.95000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.97500 1.97500 0.00000 0 1 0 0.00000 HETATM 3 Ag 1.97500 0.00000 1.97500 0 1 0 0.00000 HETATM 4 Ag 0.00000 1.97500 1.97500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -265.972408 END XTLGRF 200 DESCRP Agfccexp_400 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.00000 4.00000 4.00000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.00000 2.00000 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.00000 0.00000 2.00000 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.00000 2.00000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -274.133152 END XTLGRF 200 DESCRP Agfccexp_405 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.05000 4.05000 4.05000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.02500 2.02500 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.02500 0.00000 2.02500 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.02500 2.02500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -280.201629 END XTLGRF 200 DESCRP Agfccexp_410 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.10000 4.10000 4.10000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.05000 2.05000 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.05000 0.00000 2.05000 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.05000 2.05000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -284.400793 END XTLGRF 200 DESCRP Agfccexp_415 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.15000 4.15000 4.15000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.07500 2.07500 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.07500 0.00000 2.07500 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.07500 2.07500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -286.935751 END XTLGRF 200 DESCRP Agfccexp_417 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.17000 4.17000 4.17000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.08500 2.08500 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.08500 0.00000 2.08500 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.08500 2.08500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -287.526743 END XTLGRF 200 DESCRP Agfccexp_419 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.19000 4.19000 4.19000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.09500 2.09500 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.09500 0.00000 2.09500 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.09500 2.09500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -287.893518 END XTLGRF 200 DESCRP Agfccexp_420 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.20000 4.20000 4.20000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.10000 2.10000 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.10000 0.00000 2.10000 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.10000 2.10000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -287.996341 END XTLGRF 200 DESCRP Agfccexp_422 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.22000 4.22000 4.22000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.11000 2.11000 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.11000 0.00000 2.11000 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.11000 2.11000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -288.047727 END XTLGRF 200 DESCRP Agfccexp_425 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.25000 4.25000 4.25000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.12500 2.12500 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.12500 0.00000 2.12500 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.12500 2.12500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -287.759210 END XTLGRF 200 DESCRP Agfccexp_430 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.30000 4.30000 4.30000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.15000 2.15000 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.15000 0.00000 2.15000 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.15000 2.15000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -286.389427 END XTLGRF 200 DESCRP Agfccexp_435 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.35000 4.35000 4.35000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.17500 2.17500 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.17500 0.00000 2.17500 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.17500 2.17500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -284.041702 END XTLGRF 200 DESCRP Agfccexp_440 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.40000 4.40000 4.40000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.20000 2.20000 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.20000 0.00000 2.20000 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.20000 2.20000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -280.861359 END XTLGRF 200 DESCRP Agfccexp_445 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.45000 4.45000 4.45000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.22500 2.22500 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.22500 0.00000 2.22500 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.22500 2.22500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -276.985412 END XTLGRF 200 DESCRP Agfccexp_450 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.50000 4.50000 4.50000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.25000 2.25000 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.25000 0.00000 2.25000 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.25000 2.25000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -272.546946 END XTLGRF 200 DESCRP Aghcpexp_260 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.60000 2.60000 4.23800 90.00000 90.00000 120.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.11607 0.43327 4.23800 0 1 0 0.00000 HETATM 2 Ag 1.61726 0.43340 2.11900 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 1 1 1 1 1 CONECT 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 2 2 2 2 2 CONECT 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -85.687627 END XTLGRF 200 DESCRP Aghcpexp_270 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.70000 2.70000 4.40100 90.00000 90.00000 120.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.11981 0.45110 4.40100 0 1 0 0.00000 HETATM 2 Ag 1.68019 0.44890 2.20050 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 1 1 1 1 1 CONECT 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 2 2 2 2 2 CONECT 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -115.917593 END XTLGRF 200 DESCRP Aghcpexp_275 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.75000 2.75000 4.48250 90.00000 90.00000 120.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.12255 0.45881 4.48250 0 1 0 0.00000 HETATM 2 Ag 1.71078 0.45786 2.24125 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 1 1 1 1 1 CONECT 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 2 2 2 2 2 CONECT 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -126.118474 END XTLGRF 200 DESCRP Aghcpexp_280 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.80000 2.80000 4.56400 90.00000 90.00000 120.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.55044 -0.23189 0.03720 0 1 0 0.00000 HETATM 2 Ag 1.38289 1.19856 2.32630 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 1 1 1 1 1 CONECT 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 2 2 2 2 2 CONECT 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -133.604402 END XTLGRF 200 DESCRP Aghcpexp_285 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.85000 2.85000 4.64550 90.00000 90.00000 120.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.54556 -0.23399 0.01541 0 1 0 0.00000 HETATM 2 Ag 1.38777 1.20066 2.34809 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 1 1 1 1 1 CONECT 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 2 2 2 2 2 CONECT 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -138.857793 END XTLGRF 200 DESCRP Aghcpexp_290 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.90000 2.90000 4.72700 90.00000 90.00000 120.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.54540 -0.23570 0.00598 0 1 0 0.00000 HETATM 2 Ag 1.38793 1.20237 2.35752 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 1 1 1 1 1 CONECT 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 2 2 2 2 2 CONECT 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -142.130883 END XTLGRF 200 DESCRP Aghcpexp_295 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.95000 2.95000 4.80850 90.00000 90.00000 120.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.13776 0.47789 4.80198 0 1 0 0.00000 HETATM 2 Ag 1.82891 0.50544 2.41077 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 1 1 1 1 1 CONECT 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 2 2 2 2 2 CONECT 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -143.716472 END XTLGRF 200 DESCRP Aghcpexp_2965 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.96500 2.96500 4.83295 90.00000 90.00000 120.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.12654 0.49530 4.82989 0 1 0 0.00000 HETATM 2 Ag 1.84013 0.48803 2.40731 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 1 1 1 1 1 CONECT 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 2 2 2 2 2 CONECT 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -143.941877 END XTLGRF 200 DESCRP Aghcpexp_300 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.00000 3.00000 4.89000 90.00000 90.00000 120.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.14481 0.49954 4.88382 0 1 0 0.00000 HETATM 2 Ag 1.85519 0.50046 2.45118 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 1 1 1 1 1 CONECT 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 2 2 2 2 2 CONECT 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -143.926048 END XTLGRF 200 DESCRP Aghcpexp_305 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.05000 3.05000 4.97150 90.00000 90.00000 120.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.12020 0.49465 4.94127 0 1 0 0.00000 HETATM 2 Ag 1.87980 0.50535 2.47523 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 1 1 1 1 1 CONECT 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 2 2 2 2 2 CONECT 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -142.951108 END XTLGRF 200 DESCRP Aghcpexp_310 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.10000 3.10000 5.05300 90.00000 90.00000 120.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.10036 0.48551 5.00486 0 1 0 0.00000 HETATM 2 Ag 1.89964 0.51449 2.49314 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 1 1 1 1 1 CONECT 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 2 2 2 2 2 CONECT 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -141.039496 END XTLGRF 200 DESCRP Aghcpexp_315 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.15000 3.15000 5.13450 90.00000 90.00000 120.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.08135 0.47805 5.07205 0 1 0 0.00000 HETATM 2 Ag 1.91865 0.52195 2.50745 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 1 1 1 1 1 CONECT 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 2 2 2 2 2 CONECT 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -138.375748 END XTLGRF 200 DESCRP Aghcpexp_320 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.20000 3.20000 5.21600 90.00000 90.00000 120.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.06197 0.47079 5.13416 0 1 0 0.00000 HETATM 2 Ag 1.93803 0.52921 2.52684 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 1 1 1 1 1 CONECT 1 1 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 2 2 2 2 2 CONECT 2 2 2 2 2 2 2 UNIT ENERGY kcal ENERGY -135.140139 END XTLGRF 200 DESCRP Aghcpexp_325 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.25000 3.25000 5.29750 90.00000 90.00000 120.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.04068 0.46516 5.17758 0 1 0 0.00000 HETATM 2 Ag 1.95932 0.53484 2.56492 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 CONECT 2 1 1 1 UNIT ENERGY kcal ENERGY -131.490057 END XTLGRF 200 DESCRP Aghcpexp_330 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.30000 3.30000 5.37900 90.00000 90.00000 120.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.03953 0.49831 5.29027 0 1 0 0.00000 HETATM 2 Ag 1.96047 0.50169 2.53373 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 CONECT 2 1 1 UNIT ENERGY kcal ENERGY -127.710860 END XTLGRF 200 DESCRP Agscexp_255 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.55000 2.55000 2.55000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 1 1 1 1 1 1 1 1 1 1 1 CONECT 1 UNIT ENERGY kcal ENERGY -44.712376 END XTLGRF 200 DESCRP Agscexp_260 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.60000 2.60000 2.60000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 1 1 1 1 1 1 1 1 1 1 1 CONECT 1 UNIT ENERGY kcal ENERGY -48.450596 END XTLGRF 200 DESCRP Agscexp_265 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.65000 2.65000 2.65000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 1 1 1 1 1 1 1 1 1 1 1 CONECT 1 UNIT ENERGY kcal ENERGY -51.381609 END XTLGRF 200 DESCRP Agscexp_270 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.70000 2.70000 2.70000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 1 1 1 1 1 1 1 1 1 1 1 CONECT 1 UNIT ENERGY kcal ENERGY -53.634819 END XTLGRF 200 DESCRP Agscexp_275 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.75000 2.75000 2.75000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 1 1 1 1 1 1 1 1 1 1 1 CONECT 1 UNIT ENERGY kcal ENERGY -55.322885 END XTLGRF 200 DESCRP Agscexp_278 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.78000 2.78000 2.78000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 1 1 1 1 1 1 1 1 1 1 1 CONECT 1 UNIT ENERGY kcal ENERGY -56.101471 END XTLGRF 200 DESCRP Agscexp_280 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.80000 2.80000 2.80000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 1 1 1 1 1 1 1 1 1 1 1 CONECT 1 UNIT ENERGY kcal ENERGY -56.532864 END XTLGRF 200 DESCRP Agscexp_285 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.85000 2.85000 2.85000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 1 1 1 1 1 1 1 1 1 1 1 CONECT 1 UNIT ENERGY kcal ENERGY -57.335375 END XTLGRF 200 DESCRP Agscexp_290 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.90000 2.90000 2.90000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 1 1 1 1 1 1 1 1 1 1 1 CONECT 1 UNIT ENERGY kcal ENERGY -57.795519 END XTLGRF 200 DESCRP Agscexp_295 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.95000 2.95000 2.95000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 1 1 1 1 1 1 1 1 1 1 1 CONECT 1 UNIT ENERGY kcal ENERGY -57.986428 END XTLGRF 200 DESCRP Agbccdist_0 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.33000 3.33000 3.33000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.66500 1.66500 1.66500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 CONECT 2 1 1 1 1 1 1 1 1 UNIT ENERGY kcal ENERGY -141.771281 END XTLGRF 200 DESCRP Agbccdist_neg1 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.36330 3.36330 3.29670 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.68165 1.68165 1.64835 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 CONECT 2 1 1 1 1 1 1 1 1 UNIT ENERGY kcal ENERGY -141.726878 END XTLGRF 200 DESCRP Agbccdist_neg2 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.39660 3.39660 3.26340 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.69830 1.69830 1.63170 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 CONECT 2 1 1 1 1 1 1 1 1 UNIT ENERGY kcal ENERGY -141.638334 END XTLGRF 200 DESCRP Agbccdist_neg3 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.42990 3.42990 3.23010 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.71495 1.71495 1.61505 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 UNIT ENERGY kcal ENERGY -141.506207 END XTLGRF 200 DESCRP Agbccdist_neg4 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.46320 3.46320 3.19680 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.73160 1.73160 1.59840 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 UNIT ENERGY kcal ENERGY -141.329416 END XTLGRF 200 DESCRP Agbccdist_neg5 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.49650 3.49650 3.16350 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.74825 1.74825 1.58175 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 UNIT ENERGY kcal ENERGY -141.105263 END XTLGRF 200 DESCRP Agbccdist_neg6 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.52980 3.52980 3.13020 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.76490 1.76490 1.56510 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 UNIT ENERGY kcal ENERGY -140.829469 END XTLGRF 200 DESCRP Agbccdist_neg7 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.56310 3.56310 3.09690 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.78155 1.78155 1.54845 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 UNIT ENERGY kcal ENERGY -140.496194 END XTLGRF 200 DESCRP Agbccdist_neg8 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.59640 3.59640 3.06360 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.79820 1.79820 1.53180 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 UNIT ENERGY kcal ENERGY -140.098072 END XTLGRF 200 DESCRP Agbccdist_neg9 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.62970 3.62970 3.03030 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.81485 1.81485 1.51515 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 UNIT ENERGY kcal ENERGY -139.626229 END XTLGRF 200 DESCRP Agbccdist_neg10 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.66300 3.66300 2.99700 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.83150 1.83150 1.49850 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 UNIT ENERGY kcal ENERGY -139.070313 END XTLGRF 200 DESCRP Agbccdist_pos1 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.29670 3.29670 3.36330 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.64835 1.64835 1.68165 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 CONECT 2 1 1 1 1 1 1 1 1 UNIT ENERGY kcal ENERGY -141.769313 END XTLGRF 200 DESCRP Agbccdist_pos2 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.26340 3.26340 3.39660 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.63170 1.63170 1.69830 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 CONECT 2 1 1 1 1 1 1 1 1 UNIT ENERGY kcal ENERGY -141.717044 END XTLGRF 200 DESCRP Agbccdist_pos3 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.23010 3.23010 3.42990 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.61505 1.61505 1.71495 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 2 2 2 2 UNIT ENERGY kcal ENERGY -141.608809 END XTLGRF 200 DESCRP Agbccdist_pos4 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.19680 3.19680 3.46320 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.59840 1.59840 1.73160 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 2 2 2 2 UNIT ENERGY kcal ENERGY -141.437173 END XTLGRF 200 DESCRP Agbccdist_pos5 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.16350 3.16350 3.49650 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.58175 1.58175 1.74825 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 2 2 2 2 UNIT ENERGY kcal ENERGY -141.195298 END XTLGRF 200 DESCRP Agbccdist_pos6 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.13020 3.13020 3.52980 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.56510 1.56510 1.76490 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 2 2 2 2 UNIT ENERGY kcal ENERGY -140.878669 END XTLGRF 200 DESCRP Agbccdist_pos7 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.09690 3.09690 3.56310 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.54845 1.54845 1.78155 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 2 2 2 2 UNIT ENERGY kcal ENERGY -140.473984 END XTLGRF 200 DESCRP Agbccdist_pos8 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.06360 3.06360 3.59640 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.53180 1.53180 1.79820 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 2 2 2 2 UNIT ENERGY kcal ENERGY -139.968825 END XTLGRF 200 DESCRP Agbccdist_pos9 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.03030 3.03030 3.62970 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.51515 1.51515 1.81485 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 2 2 2 2 UNIT ENERGY kcal ENERGY -139.349835 END XTLGRF 200 DESCRP Agbccdist_pos10 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 2.99700 2.99700 3.66300 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.49850 1.49850 1.83150 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 2 2 2 2 1 1 1 CONECT 1 1 1 1 1 CONECT 2 1 1 1 1 1 1 1 1 2 2 2 CONECT 2 2 2 2 2 UNIT ENERGY kcal ENERGY -138.602511 END XTLGRF 200 DESCRP Agfcc_dist_0 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.19000 4.19000 4.19000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.09500 2.09500 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.09500 0.00000 2.09500 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.09500 2.09500 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -287.893518 END XTLGRF 200 DESCRP Agfcc_dist_neg1 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.23190 4.23190 4.14810 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.11595 2.11595 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.11595 0.00000 2.07405 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.11595 2.07405 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -287.948804 END XTLGRF 200 DESCRP Agfcc_dist_neg2 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.27380 4.27380 4.10620 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag -0.03739 -0.03737 0.03755 0 1 0 0.00000 HETATM 2 Ag 2.09073 2.09061 0.03763 0 1 0 0.00000 HETATM 3 Ag 2.09039 -0.03741 2.09920 0 1 0 0.00000 HETATM 4 Ag -0.03726 2.09065 2.09920 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -287.734177 END XTLGRF 200 DESCRP Agfcc_dist_neg3 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.31570 4.31570 4.06430 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.01643 0.01615 -0.01670 0 1 0 0.00000 HETATM 2 Ag 2.18357 2.18353 -0.01658 0 1 0 0.00000 HETATM 3 Ag 2.18357 0.01650 2.00669 0 1 0 0.00000 HETATM 4 Ag 0.01633 2.18323 2.00689 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -287.364573 END XTLGRF 200 DESCRP Agfcc_dist_neg4 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.35760 4.35760 4.02240 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00587 0.00541 -0.00580 0 1 0 0.00000 HETATM 2 Ag 2.19391 2.19428 -0.00579 0 1 0 0.00000 HETATM 3 Ag 2.19399 0.00587 1.99590 0 1 0 0.00000 HETATM 4 Ag 0.00604 2.19371 1.99608 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -286.830982 END XTLGRF 200 DESCRP Agfcc_dist_neg5 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.39950 4.39950 3.98050 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.19975 2.19975 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.19975 0.00000 1.99025 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.19975 1.99025 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -286.210007 END XTLGRF 200 DESCRP Agfcc_dist_neg6 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.44140 4.44140 3.98360 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00060 -0.00025 -0.00294 0 1 0 0.00000 HETATM 2 Ag 2.22018 2.22111 -0.00227 0 1 0 0.00000 HETATM 3 Ag 2.22072 -0.00006 1.97262 0 1 0 0.00000 HETATM 4 Ag -0.00035 2.22030 1.97137 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -285.216390 END XTLGRF 200 DESCRP Agfcc_dist_neg7 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.48330 4.48330 3.89670 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.24165 2.24165 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.24165 0.00000 1.94835 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.24165 1.94835 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -284.598288 END XTLGRF 200 DESCRP Agfcc_dist_neg8 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.52520 4.52520 3.85480 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.26260 2.26260 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.26260 0.00000 1.92740 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.26260 1.92740 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -283.712145 END XTLGRF 200 DESCRP Agfcc_dist_neg9 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.56710 4.56710 3.81290 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.28355 2.28355 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.28355 0.00000 1.90645 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.28355 1.90645 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -282.797617 END XTLGRF 200 DESCRP Agfcc_dist_neg10 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.60900 4.60900 3.77100 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.30450 2.30450 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.30450 0.00000 1.88550 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.30450 1.88550 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 3 3 3 3 4 4 4 4 CONECT 2 3 3 3 3 4 4 4 4 CONECT 3 1 1 1 1 2 2 2 2 CONECT 4 1 1 1 1 2 2 2 2 UNIT ENERGY kcal ENERGY -281.876945 END XTLGRF 200 DESCRP Agfcc_dist_pos1 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.14810 4.14810 4.23190 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.07405 2.07405 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.07405 0.00000 2.11595 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.07405 2.11595 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -287.576475 END XTLGRF 200 DESCRP Agfcc_dist_pos2 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.10620 4.10620 4.27380 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.05310 2.05310 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.05310 0.00000 2.13690 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.05310 2.13690 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -286.962894 END XTLGRF 200 DESCRP Agfcc_dist_pos3 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.06430 4.06430 4.31570 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.03215 2.03215 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.03215 0.00000 2.15785 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.03215 2.15785 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -286.016596 END XTLGRF 200 DESCRP Agfcc_dist_pos4 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 4.02240 4.02240 4.35760 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 2.01120 2.01120 0.00000 0 1 0 0.00000 HETATM 3 Ag 2.01120 0.00000 2.17880 0 1 0 0.00000 HETATM 4 Ag 0.00000 2.01120 2.17880 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -284.699652 END XTLGRF 200 DESCRP Agfcc_dist_pos5 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.98050 3.98050 4.39950 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.99025 1.99025 0.00000 0 1 0 0.00000 HETATM 3 Ag 1.99025 0.00000 2.19975 0 1 0 0.00000 HETATM 4 Ag 0.00000 1.99025 2.19975 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -282.971950 END XTLGRF 200 DESCRP Agfcc_dist_pos6 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.94000 3.94000 4.45000 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.96930 1.96930 0.00000 0 1 0 0.00000 HETATM 3 Ag 1.96930 0.00000 2.22070 0 1 0 0.00000 HETATM 4 Ag 0.00000 1.96930 2.22070 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -280.911915 END XTLGRF 200 DESCRP Agfcc_dist_pos7 REMARK .bgf-file generated by xtob-script RUTYPE NO CELL OPT CRYSTX 3.89670 3.89670 4.48330 90.00000 90.00000 90.00000 FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) HETATM 1 Ag 0.00000 0.00000 0.00000 0 1 0 0.00000 HETATM 2 Ag 1.94835 1.94835 0.00000 0 1 0 0.00000 HETATM 3 Ag 1.94835 0.00000 2.24165 0 1 0 0.00000 HETATM 4 Ag 0.00000 1.94835 2.24165 0 1 0 0.00000 FORMAT CONECT (a6,12i6) CONECT 1 2 2 2 2 3 3 3 3 4 4 4 CONECT 4 CONECT 2 1 1 1 1 3 3 3 3 4 4 4 CONECT 4 CONECT 3 1 1 1 1 2 2 2 2 4 4 4 CONECT 4 CONECT 4 1 1 1 1 2 2 2 2 3 3 3 CONECT 3 UNIT ENERGY kcal ENERGY -278.109970 END