Cis..[H-Cu-H] (dP=H) Cu 0.000000 0.000000 0.000000 O 0.000000 1.415408 1.322761 O 0.000000 1.415200 -1.272819 N 0.000000 4.930870 -0.597897 C 0.000000 4.949150 0.744163 C 0.000000 3.859511 -2.819069 C 0.000000 3.786655 1.455554 C 0.000000 3.773759 -1.332431 C 0.000000 2.573676 -0.674536 C 0.000000 2.558611 0.764266 H 0.000000 5.925789 1.212652 H 0.000000 5.807051 -1.099585 H 0.000000 4.894215 -3.170380 H 0.000000 3.793855 2.537955 H 0.875970 3.351497 -3.228240 H -0.875970 3.351497 -3.228240 O 0.000000 -1.415408 1.322761 O 0.000000 -1.415200 -1.272819 N 0.000000 -4.930870 -0.597897 C 0.000000 -4.949150 0.744163 C 0.000000 -3.859511 -2.819069 C 0.000000 -3.786655 1.455554 C 0.000000 -3.773759 -1.332431 C 0.000000 -2.573676 -0.674536 C 0.000000 -2.558611 0.764266 H 0.000000 -5.925789 1.212652 H 0.000000 -5.807051 -1.099585 H 0.000000 -4.894215 -3.170380 H 0.000000 -3.793855 2.537955 H 0.875970 -3.351497 -3.228240 H -0.875970 -3.351497 -3.228240 Cis..[H-Cu-H] (dP=CH3) Cu 0.000000 0.000000 0.399439 O 0.000000 1.416082 1.719234 O 0.000000 1.414879 -0.876620 N 0.000000 4.950604 -0.250059 C 0.000000 6.227165 -0.947568 C 0.000000 4.944942 1.093898 C 0.000000 3.791684 1.823548 C 0.000000 3.767181 -0.957735 C 0.000000 3.737059 -2.450665 C 0.000000 2.574632 -0.280147 C 0.000000 2.558137 1.154963 H 0.000000 7.028939 -0.212120 H 0.889397 6.329303 -1.570780 H -0.889397 6.329303 -1.570780 H 0.000000 5.916298 1.572396 H 0.000000 4.720024 -2.916138 H 0.000000 3.823798 2.905588 H 0.872302 3.182187 -2.804143 H -0.872302 3.182187 -2.804143 O 0.000000 -1.416082 1.719234 O 0.000000 -1.414879 -0.876620 N 0.000000 -4.950604 -0.250059 C 0.000000 -6.227165 -0.947568 C 0.000000 -4.944942 1.093898 C 0.000000 -3.791684 1.823548 C 0.000000 -3.767181 -0.957735 C 0.000000 -3.737059 -2.450665 C 0.000000 -2.574632 -0.280147 C 0.000000 -2.558137 1.154963 H 0.000000 -7.028939 -0.212120 H 0.889397 -6.329303 -1.570780 H -0.889397 -6.329303 -1.570780 H 0.000000 -5.916298 1.572396 H 0.000000 -4.720024 -2.916138 H 0.000000 -3.823798 2.905588 H 0.872302 -3.182187 -2.804143 H -0.872302 -3.182187 -2.804143 Cis..[H-Cu-H] (dP=deoxy-5'-ribose) Cu 0.000000 0.000000 0.000000 O -0.288414 8.821783 -2.684103 O 0.000000 8.341115 1.487218 O 1.337835 7.056098 -0.689129 O 0.108763 1.413977 1.318465 O 0.112930 1.409293 -1.270372 N 0.353083 4.943350 -0.620412 C 0.996256 8.967137 0.704668 C -0.460966 8.449369 -1.329401 C 0.931091 8.415882 -0.698260 C -0.931053 7.015806 -1.180445 C 0.369948 6.235873 -1.292502 C 0.348477 4.935444 0.723789 C 0.274209 3.784584 -2.840435 C 0.274868 3.778459 1.439474 C 0.273889 3.768499 -1.347352 C 0.193204 2.573511 -0.681076 C 0.190013 2.553422 0.757862 H 0.839444 10.052384 0.666523 H -1.116517 9.159021 -0.815815 H 1.613849 8.988570 -1.333629 H -1.143672 8.872892 -3.123797 H 1.994626 8.768665 1.109130 H 0.052933 8.638935 2.400356 H -1.361626 6.869177 -0.188495 H -1.664757 6.723141 -1.933957 H 0.637550 6.061872 -2.333342 H 0.415066 5.908795 1.194132 H -0.550541 4.368356 -3.259250 H 1.211923 4.166572 -3.254650 H 0.279176 3.795690 2.521854 H 0.158756 2.751657 -3.166923 O 0.288414 -8.821783 -2.684103 O 0.000000 -8.341115 1.487218 O -1.337835 -7.056098 -0.689129 O -0.108763 -1.413977 1.318465 O -0.112930 -1.409293 -1.270372 N -0.353083 -4.943350 -0.620412 C -0.996256 -8.967137 0.704668 C 0.460966 -8.449369 -1.329401 C -0.931091 -8.415882 -0.698260 C 0.931053 -7.015806 -1.180445 C -0.369948 -6.235873 -1.292502 C -0.348477 -4.935444 0.723789 C -0.274209 -3.784584 -2.840435 C -0.274868 -3.778459 1.439474 C -0.273889 -3.768499 -1.347352 C -0.193204 -2.573511 -0.681076 C -0.190013 -2.553422 0.757862 H -0.839444 -10.052384 0.666523 H 1.116517 -9.159021 -0.815815 H -1.613849 -8.988570 -1.333629 H 1.143672 -8.872892 -3.123797 H -1.994626 -8.768665 1.109130 H -0.052933 -8.638935 2.400356 H 1.361626 -6.869177 -0.188495 H 1.664757 -6.723141 -1.933957 H -0.637550 -6.061872 -2.333342 H -0.415066 -5.908795 1.194132 H 0.550541 -4.368356 -3.259250 H -1.211923 -4.166572 -3.254650 H -0.279176 -3.795690 2.521854 H -0.158756 -2.751657 -3.166923 Trans..[H-Cu-H] (dP=H) Cu 0.000000 0.000000 0.000000 O 0.000000 1.936155 -0.167829 O 0.000000 0.000000 1.897570 N 0.000000 2.846173 -4.069329 C 0.000000 3.859139 -3.188226 C 0.000000 3.615366 -1.847712 C 0.000000 2.281037 -1.391660 C 0.000000 1.527495 -3.695477 C 0.000000 1.219066 -2.362652 C 0.000000 0.475642 -4.749694 H 0.000000 4.859289 -3.604284 H 0.000000 4.427329 -1.131897 H 0.000000 3.055844 -5.056924 H 0.000000 0.902774 -5.755443 H 0.875933 0.167983 4.643370 H -0.875933 0.167983 4.643370 O 0.000000 -1.936155 0.167829 O 0.000000 0.000000 -1.897570 N 0.000000 -2.846173 4.069329 C 0.000000 -3.859139 3.188226 C 0.000000 -3.615366 1.847712 C 0.000000 -2.281037 1.391660 C 0.000000 -1.527495 3.695477 C 0.000000 -1.219066 2.362652 C 0.000000 -0.475642 4.749694 H 0.000000 -4.859289 3.604284 H 0.000000 -4.427329 1.131897 H 0.000000 -3.055844 5.056924 H 0.000000 -0.902774 5.755443 H 0.875933 -0.167983 -4.643370 H -0.875933 -0.167983 -4.643370 Trans..[H-Cu-H] (dP=CH3) Cu 0.000000 0.000000 0.000000 O 0.000000 1.935039 -0.168403 O 0.000000 0.000000 1.899452 N 0.000000 2.825456 -4.115599 C 0.000000 3.822889 -3.214557 C 0.000000 3.597571 -1.868879 C 0.000000 3.157232 -5.531891 C 0.000000 2.276233 -1.394943 C 0.000000 1.508769 -3.705633 C 0.000000 1.218827 -2.365572 C 0.000000 0.376303 -4.678984 H 0.000000 4.827311 -3.619139 H 0.000000 4.425362 -1.171314 H 0.000000 4.239985 -5.638652 H 0.889383 2.761099 -6.023777 H -0.889383 2.761099 -6.023777 H 0.000000 0.685316 -5.721753 H 0.872271 0.257217 4.501517 H -0.872271 0.257217 4.501517 O 0.000000 -1.935039 0.168403 O 0.000000 0.000000 -1.899452 N 0.000000 -2.825456 4.115599 C 0.000000 -3.822889 3.214557 C 0.000000 -3.597571 1.868879 C 0.000000 -3.157232 5.531891 C 0.000000 -2.276233 1.394943 C 0.000000 -1.508769 3.705633 C 0.000000 -1.218827 2.365572 C 0.000000 -0.376303 4.678984 H 0.000000 -4.827311 3.619139 H 0.000000 -4.425362 1.171314 H 0.000000 -4.239985 5.638652 H 0.889383 -2.761099 6.023777 H -0.889383 -2.761099 6.023777 H 0.000000 -0.685316 5.721753 H 0.872271 -0.257217 -4.501517 H -0.872271 -0.257217 -4.501517 Trans..[H-Cu-H] (dP=deoxy-5'-ribose) Cu 0.000000 0.000000 0.000000 O 1.896715 8.983963 -0.904628 O -2.218408 8.161511 -0.584411 O 0.054520 7.161252 0.834833 O 1.132019 1.518274 0.005208 O -1.447671 1.297257 -0.007178 N 0.175750 4.990643 -0.008261 C -1.498738 8.916670 0.368868 C -0.052749 8.486956 0.339631 C 0.580625 8.484215 -1.051864 C 0.559697 7.015397 -1.426676 C 0.732272 6.335041 -0.077230 C -1.162864 4.864867 -0.016866 C 2.488428 4.026669 0.003718 C 1.002410 3.880520 -0.001453 C -1.775091 3.648198 -0.011287 C 0.442637 2.630249 0.000239 C -0.989235 2.483157 -0.006110 H -1.554491 9.988639 0.141721 H 0.526481 9.156548 0.983048 H 0.010673 9.101870 -1.752445 H 2.334964 9.017234 -1.761494 H -1.889816 8.748785 1.378114 H -3.154639 8.379470 -0.548709 H -0.413266 6.754951 -1.846629 H 1.339972 6.742243 -2.139663 H 1.782945 6.270760 0.200551 H -1.716497 5.795831 -0.019782 H 2.863174 4.585786 -0.858462 H 2.858098 4.508134 0.913817 H -2.854897 3.571591 -0.011192 H 2.904996 3.020874 -0.036905 O -1.896715 -8.983963 -0.904628 O 2.218408 -8.161511 -0.584411 O -0.054520 -7.161252 0.834833 O -1.132019 -1.518274 0.005208 O 1.447671 -1.297257 -0.007178 N -0.175750 -4.990643 -0.008261 C 1.498738 -8.916670 0.368868 C 0.052749 -8.486956 0.339631 C -0.580625 -8.484215 -1.051864 C -0.559697 -7.015397 -1.426676 C -0.732272 -6.335041 -0.077230 C 1.162864 -4.864867 -0.016866 C -2.488428 -4.026669 0.003718 C -1.002410 -3.880520 -0.001453 C 1.775091 -3.648198 -0.011287 C -0.442637 -2.630249 0.000239 C 0.989235 -2.483157 -0.006110 H 1.554491 -9.988639 0.141721 H -0.526481 -9.156548 0.983048 H -0.010673 -9.101870 -1.752445 H -2.334964 -9.017234 -1.761494 H 1.889816 -8.748785 1.378114 H 3.154639 -8.379470 -0.548709 H 0.413266 -6.754951 -1.846629 H -1.339972 -6.742243 -2.139663 H -1.782945 -6.270760 0.200551 H 1.716497 -5.795831 -0.019782 H -2.863174 -4.585786 -0.858462 H -2.858098 -4.508134 0.913817 H 2.854897 -3.571591 -0.011192 H -2.904996 -3.020874 -0.036905 [H-2H-H] (dP=CH3) O 0.000000 0.936773 1.308568 O 0.000000 -1.848236 1.006726 N 0.000000 -0.155218 4.703019 C 0.000000 0.399596 6.050112 C 0.000000 -1.487006 4.559288 C 0.000000 2.151841 3.748029 C 0.000000 0.667254 3.613317 C 0.000000 -2.060552 3.317280 C 0.000000 0.155218 2.310835 C 0.000000 -1.270812 2.174207 H 0.000000 -0.419519 6.765616 H 0.889494 1.007782 6.214757 H -0.889494 1.007782 6.214757 H 0.000000 -2.076112 5.466315 H 0.000000 2.510290 4.774736 H 0.869478 2.561183 3.227916 H -0.869478 2.561183 3.227916 H 0.000000 -3.138084 3.212974 H 0.000000 -1.253532 0.179828 H 0.000000 1.253532 -0.179828 O 0.000000 -0.936773 -1.308568 O 0.000000 1.848236 -1.006726 N 0.000000 0.155218 -4.703019 C 0.000000 -0.399596 -6.050112 C 0.000000 1.487006 -4.559288 C 0.000000 -2.151841 -3.748029 C 0.000000 -0.667254 -3.613317 C 0.000000 2.060552 -3.317280 C 0.000000 -0.155218 -2.310835 C 0.000000 1.270812 -2.174207 H 0.000000 0.419519 -6.765616 H 0.889494 -1.007782 -6.214757 H -0.889494 -1.007782 -6.214757 H 0.000000 2.076112 -5.466315 H 0.000000 -2.510290 -4.774736 H 0.869478 -2.561183 -3.227916 H -0.869478 -2.561183 -3.227916 H 0.000000 3.138084 -3.212974