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7.509122 H 3.556321 1.130513 7.253181 H 5.076807 1.947217 7.665456 C 3.780689 3.081920 6.347596 H 4.327300 4.020246 6.510159 H 2.712340 3.318882 6.243253 N 4.235811 2.577586 5.029413 H 4.115729 3.272305 4.267058 H 3.752701 1.710460 4.739195 H 5.256678 2.408055 5.021927 C 7.092276 7.773214 -2.784847 H 7.112155 8.190439 -3.798542 H 8.111803 7.876498 -2.379676 C 6.145808 8.572549 -1.950240 N 5.948588 8.309130 -0.611438 H 6.404959 7.500229 -0.114388 C 5.049165 9.144272 -0.109678 H 4.659724 9.155615 0.904626 N 4.658296 9.957957 -1.081080 H 3.907128 10.652454 -0.952912 C 5.314838 9.625191 -2.244823 H 5.145446 10.149204 -3.181664 H 5.008201 8.851365 5.886348 O 4.530342 8.055903 5.599430 C 4.262615 8.120817 4.221300 H 3.421058 8.797060 3.986841 H 5.146743 8.473509 3.660326 C 3.960570 6.734665 3.724372 H 4.684194 6.038577 4.181298 O 2.634430 6.323816 4.052784 C 2.166108 5.399271 3.107035 H 1.918500 4.439940 3.574770 N 0.922125 5.881787 2.496178 C 0.664240 7.216502 2.288883 H 1.378332 7.905821 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12.672279 5.475042 5.226524 C 11.622501 3.872565 6.094001 117 energy= -3919.5613851602466 C 3.118929 -0.219823 -2.499565 H 2.391726 0.089390 -3.266698 H 4.081241 -0.355878 -3.003167 C 3.252221 0.832591 -1.447604 N 2.232473 1.214879 -0.612744 H 1.301545 0.794849 -0.573698 C 2.684255 2.164293 0.220541 H 2.056081 2.637666 0.973959 N 3.944418 2.442161 -0.036729 C 4.309622 1.619597 -1.067338 H 5.311296 1.636023 -1.478745 C 3.325355 2.700192 8.771077 H 3.760173 3.681587 9.016530 H 2.269695 2.874388 8.502939 C 4.008772 2.136381 7.517696 H 3.567587 1.162733 7.241363 H 5.086253 1.968527 7.682578 C 3.808207 3.131839 6.374664 H 4.360477 4.062796 6.558460 H 2.742588 3.377622 6.263586 N 4.273188 2.651251 5.050417 H 4.213545 3.387843 4.326340 H 3.760733 1.815512 4.716116 H 5.285230 2.433086 5.060219 C 7.090716 7.773016 -2.795883 H 7.096960 8.186650 -3.811118 H 8.113842 7.878722 -2.402210 C 6.157306 8.572045 -1.948890 N 5.966007 8.297533 -0.611421 H 6.400605 7.465426 -0.117683 C 5.079939 9.141562 -0.100202 H 4.701792 9.152567 0.917296 N 4.690303 9.967554 -1.062350 H 3.943174 10.665100 -0.926857 C 5.336502 9.635879 -2.232055 H 5.168435 10.168449 -3.164292 H 4.976927 8.917328 6.007289 O 4.475237 8.144404 5.699983 C 4.204348 8.265847 4.326473 H 3.339337 8.921655 4.121459 H 5.073874 8.680640 3.782791 C 3.962832 6.894224 3.758814 H 4.730004 6.212783 4.165889 O 2.670049 6.381221 4.091816 C 2.253934 5.458671 3.118118 H 2.070649 4.467103 3.552084 N 0.977058 5.886897 2.531834 C 0.675344 7.215309 2.333678 H 1.360639 7.923291 2.798439 C -0.407019 7.618059 1.635689 H -0.609251 8.674309 1.479484 C -1.328690 6.642661 1.082034 O -2.319150 6.867258 0.422020 N -0.957301 5.318665 1.380122 H -1.594421 4.581317 1.047508 C 0.174914 4.890675 2.002981 O 0.486771 3.708419 2.089684 C 3.995077 6.783241 2.244485 H 3.433676 7.594714 1.756275 C 3.348931 5.420282 2.049161 H 2.911243 5.282753 1.046802 O 4.369351 4.523306 2.305195 H 4.754448 3.674306 0.383854 O 5.288075 6.743940 1.727402 P 6.001905 5.269179 1.433588 O 5.590413 4.536904 0.081892 O 6.927900 4.607681 2.448231 O 7.177225 6.194304 0.536911 C 8.158843 6.916660 1.245157 H 7.848638 7.972313 1.370349 H 8.278475 6.511210 2.259077 C 9.512351 6.891747 0.576293 H 9.790828 5.844410 0.358410 O 9.569560 7.650881 -0.621013 C 10.763705 8.410510 -0.702972 H 11.235961 8.226805 -1.677234 N 10.411855 9.831382 -0.646643 C 10.497928 10.601474 0.493275 H 11.186456 10.253118 1.263028 C 9.808988 11.747235 0.670519 H 9.923463 12.364951 1.560504 C 8.889050 12.187365 -0.359285 O 8.097341 13.103314 -0.270923 N 8.966273 11.428472 -1.528571 H 8.437955 11.769236 -2.326091 C 9.681385 10.277147 -1.751705 O 9.640511 9.671535 -2.800416 C 10.567050 7.542317 1.469216 H 10.130573 8.459919 1.901069 C 11.644474 7.925666 0.458696 H 12.326999 8.705712 0.833646 O 12.347050 6.766319 0.115362 H 13.173335 7.017166 -0.318500 O 11.021970 6.692466 2.470600 P 10.555581 6.879525 4.037885 O 9.125311 7.340393 4.085672 O 11.634153 7.566182 4.819797 O 10.571462 5.270680 4.380736 C 11.718618 4.716531 4.890274 O 8.207588 3.121201 -0.242752 H 7.386640 3.629052 -0.153603 H 8.649455 3.608259 -0.970832 O 7.241881 7.116513 5.935326 H 6.364772 7.195008 5.530308 H 7.918375 7.217868 5.209396 O 6.545743 9.527885 6.873367 H 6.957879 8.656193 6.627219 H 7.293901 10.132581 6.951789 O 6.247393 4.505502 5.062243 H 6.755947 5.183656 5.537724 H 6.544401 4.581891 4.124616 C 2.665692 -1.580586 -1.913081 C 3.389667 1.798187 10.029121 C 6.771002 6.305918 -2.861472 H 12.520593 4.039520 4.168747 H 12.672279 5.475042 5.226524 C 11.622501 3.872565 6.094001 117 energy= -3919.5647073274336 C 3.123560 -0.229344 -2.518006 H 2.386812 0.079892 -3.276711 H 4.077741 -0.378636 -3.035718 C 3.285944 0.832081 -1.476970 N 2.290012 1.228000 -0.614326 H 1.357904 0.805364 -0.539612 C 2.770085 2.195275 0.190019 H 2.163047 2.680768 0.956252 N 4.026251 2.469703 -0.113142 C 4.358860 1.625769 -1.141236 H 5.351138 1.631280 -1.581050 C 3.325493 2.703793 8.773994 H 3.758256 3.685231 9.023069 H 2.269899 2.876678 8.504764 C 4.012606 2.145263 7.520554 H 3.571342 1.173473 7.237424 H 5.089402 1.975630 7.688286 C 3.817380 3.148478 6.383687 H 4.371536 4.076980 6.574560 H 2.752670 3.397202 6.270364 N 4.285647 2.675806 5.057418 H 4.246150 3.426356 4.346101 H 3.763410 1.850529 4.708423 H 5.294747 2.441429 5.072983 C 7.090197 7.772950 -2.799562 H 7.091894 8.185387 -3.815311 H 8.114521 7.879463 -2.409721 C 6.161138 8.571877 -1.948441 N 5.971814 8.293667 -0.611416 H 6.399154 7.453825 -0.118781 C 5.090197 9.140658 -0.097043 H 4.715815 9.151551 0.921519 N 4.700973 9.970752 -1.056107 H 3.955190 10.669316 -0.918172 C 5.343723 9.639442 -2.227799 H 5.176098 10.174864 -3.158501 H 4.966503 8.939315 6.047603 O 4.456869 8.173905 5.733500 C 4.184926 8.314190 4.361530 H 3.312097 8.963186 4.166332 H 5.049585 8.749683 3.823613 C 3.963586 6.947410 3.770295 H 4.745275 6.270852 4.160752 O 2.681923 6.400357 4.104827 C 2.283209 5.478471 3.121812 H 2.121366 4.476157 3.544522 N 0.995369 5.888600 2.543720 C 0.679045 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O 10.574232 5.279885 4.378718 C 11.717912 4.718328 4.889696 O 8.162416 3.131333 -0.213266 H 7.374324 3.683196 -0.080216 H 8.605141 3.614746 -0.944715 O 7.207104 7.191728 5.932793 H 6.345960 7.333116 5.516392 H 7.903017 7.273958 5.220929 O 6.577328 9.609231 6.910069 H 6.963725 8.732955 6.646102 H 7.343878 10.181490 7.030041 O 6.210754 4.605015 5.178924 H 6.689975 5.323727 5.625721 H 6.541408 4.635742 4.255204 C 2.665692 -1.580586 -1.913081 C 3.389667 1.798187 10.029121 C 6.771002 6.305918 -2.861472 H 12.520593 4.039520 4.168747 H 12.672279 5.475042 5.226524 C 11.622501 3.872565 6.094001 117 energy= -3919.576673463449 C 3.116487 -0.239212 -2.539678 H 2.380959 0.054865 -3.305162 H 4.075173 -0.388985 -3.048437 C 3.261943 0.832322 -1.511990 N 2.252378 1.233375 -0.663965 H 1.321667 0.803878 -0.592163 C 2.703900 2.200138 0.144995 H 2.092826 2.697593 0.902007 N 3.967547 2.458360 -0.152568 C 4.332978 1.620093 -1.171781 H 5.335363 1.638600 -1.584453 C 3.321998 2.704857 8.776433 H 3.747913 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8.777652 H 3.742742 3.689916 9.030716 H 2.263909 2.867650 8.504603 C 4.018632 2.154762 7.529226 H 3.592455 1.176423 7.245566 H 5.097456 2.002166 7.699859 C 3.810740 3.157101 6.396696 H 4.348432 4.093391 6.593972 H 2.741825 3.384440 6.276366 N 4.297311 2.700627 5.072952 H 4.241620 3.450648 4.358734 H 3.788772 1.870915 4.715953 H 5.304877 2.465877 5.096214 C 7.128793 7.764446 -2.774537 H 7.163222 8.186785 -3.787019 H 8.152041 7.834828 -2.372455 C 6.205494 8.571922 -1.914263 N 6.051246 8.280542 -0.578627 H 6.847334 6.982206 0.017264 C 5.162627 9.128188 -0.098535 H 4.798204 9.180413 0.924523 N 4.726338 9.956565 -1.058795 H 3.983536 10.651816 -0.917056 C 5.367848 9.621428 -2.226827 H 5.183612 10.139953 -3.165081 H 4.944462 9.176229 5.846945 O 4.536974 8.341604 5.574006 C 4.160822 8.394093 4.219619 H 3.277544 9.032944 4.046540 H 4.983794 8.782232 3.591069 C 3.888623 6.985260 3.760638 H 4.615798 6.321433 4.261585 O 2.563752 6.538528 4.086277 C 2.147701 5.551378 3.184668 H 1.938578 4.598768 3.693266 N 0.896767 5.954193 2.527774 C 0.563268 7.277554 2.327077 H 1.221672 8.004321 2.803653 C -0.515164 7.645794 1.604803 H -0.744206 8.695652 1.443581 C -1.390922 6.644637 1.025359 O -2.375375 6.835720 0.346106 N -0.978217 5.328690 1.318220 H -1.588874 4.576295 0.970623 C 0.153144 4.936562 1.959790 O 0.516446 3.762297 2.032707 C 3.989331 6.740046 2.263330 H 3.529536 7.535924 1.662751 C 3.260066 5.407912 2.147238 H 2.853432 5.211699 1.144104 O 4.248533 4.460967 2.497228 H 4.612768 3.331352 0.171943 O 5.315097 6.537761 1.856763 P 5.721406 4.955043 1.730225 O 5.533797 4.365487 0.328774 O 6.820951 4.463503 2.633366 O 7.456584 6.206225 0.467832 C 8.362370 6.930371 1.250597 H 8.031994 7.980211 1.354590 H 8.389107 6.517210 2.269297 C 9.776610 6.930920 0.715531 H 10.119701 5.887725 0.580399 O 9.886176 7.608899 -0.526969 C 11.011741 8.456312 -0.568312 H 11.543890 8.291180 -1.514512 N 10.559053 9.852130 -0.556676 C 10.598305 10.670469 0.548804 H 11.297680 10.388955 1.335507 C 9.851636 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10.029121 C 6.771002 6.305918 -2.861472 H 12.520593 4.039520 4.168747 H 12.672279 5.475042 5.226524 C 11.622501 3.872565 6.094001 117 energy= -3919.6283659725909 C 3.111182 -0.246613 -2.555932 H 2.376568 0.036095 -3.326501 H 4.073247 -0.396746 -3.057975 C 3.243941 0.832502 -1.538254 N 2.224153 1.237407 -0.701195 H 1.294489 0.802763 -0.631576 C 2.654261 2.203785 0.111227 H 2.040159 2.710212 0.861323 N 3.923519 2.449853 -0.182138 C 4.313567 1.615836 -1.194691 H 5.323531 1.644090 -1.587006 C 3.319377 2.705655 8.778262 H 3.740156 3.690697 9.031991 H 2.262911 2.866145 8.504576 C 4.019637 2.156346 7.530671 H 3.595974 1.176915 7.246923 H 5.098798 2.006588 7.701788 C 3.809633 3.158539 6.398864 H 4.344582 4.096126 6.597208 H 2.740017 3.382313 6.277366 N 4.299255 2.704764 5.075541 H 4.240865 3.454697 4.360839 H 3.793000 1.874313 4.717209 H 5.306565 2.469951 5.100085 C 7.135226 7.763029 -2.770366 H 7.175110 8.187018 -3.782304 H 8.158294 7.827389 -2.366245 C 6.212886 8.571930 -1.908567 N 6.064485 8.278354 -0.573163 H 6.922031 6.903602 0.039938 C 5.174699 9.126110 -0.098783 H 4.811936 9.185223 0.925024 N 4.730566 9.954201 -1.059243 H 3.988260 10.648899 -0.916870 C 5.371869 9.618425 -2.226665 H 5.184864 10.134135 -3.166178 H 4.940789 9.215715 5.813503 O 4.550324 8.369554 5.547424 C 4.156805 8.407410 4.195968 H 3.271785 9.044570 4.026574 H 4.972829 8.787657 3.552312 C 3.876129 6.991569 3.759029 H 4.594219 6.329863 4.278390 O 2.544057 6.561557 4.083185 C 2.125116 5.563529 3.195144 H 1.908113 4.619204 3.718057 N 0.880334 5.965125 2.525117 C 0.543972 7.287994 2.323488 H 1.199493 8.016856 2.801149 C -0.533563 7.652039 1.597680 H -0.765280 8.701092 1.435403 C -1.403858 6.648087 1.015053 O -2.387377 6.835044 0.333230 N -0.986512 5.333032 1.307378 H -1.593864 4.578829 0.957930 C 0.144046 4.945330 1.952033 O 0.513472 3.771982 2.023936 C 3.988974 6.719720 2.265092 H 3.545813 7.512280 1.644844 C 3.241252 5.394673 2.164584 H 2.840574 5.188682 1.161143 O 4.216022 4.432846 2.533820 H 4.565458 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