@MOLECULE 9h-purin-6-amine, 9-(3-azido-2,3-dideoxy-b-d-erythro-pentofuranosyl)- 20 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.6972 0.1657 -0.0017 C.3 1 UNL1 0.3059 2 C -1.7401 1.1509 -0.0090 C.2 1 UNL1 -0.4894 3 C -0.5261 0.5451 0.0055 C.2 1 UNL1 0.4205 4 O -0.6237 -0.8635 0.0224 O.2 1 UNL1 -0.1969 5 C -2.0037 -1.1173 0.0186 C.2 1 UNL1 -0.2468 6 C -2.4266 -2.3798 0.0318 C.1 1 UNL1 0.5420 7 O -2.8230 -3.4590 0.0438 O.2 1 UNL1 -0.1200 8 N 0.7756 1.0216 0.0105 N.ar 1 UNL1 -0.5128 9 N 2.5688 2.4378 0.0292 N.ar 1 UNL1 -0.4565 10 C 1.0914 2.4107 0.0298 C.ar 1 UNL1 0.6206 11 C 3.0745 1.2535 0.0118 C.ar 1 UNL1 0.1973 12 C 1.9479 0.1864 -0.0041 C.ar 1 UNL1 0.2893 13 N 1.8989 -1.0879 -0.0250 N.pl3 1 UNL1 -0.2958 14 C 2.9543 -1.9312 -0.0409 C.1 1 UNL1 0.1987 15 N 3.7497 -2.7768 -0.0569 N.1 1 UNL1 -0.1589 16 C 4.4459 0.9001 0.0079 C.1 1 UNL1 0.0520 17 N 5.5688 0.6263 0.0057 N.1 1 UNL1 -0.0814 18 N -4.0772 0.2048 -0.0101 N.2 1 UNL1 -0.4271 19 N -4.6770 1.3167 -0.0284 N.2 1 UNL1 0.4699 20 N -5.4036 2.1796 -0.0431 N.2 1 UNL1 -0.1104 @BOND 1 15 14 3 2 20 19 2 3 14 13 1 4 19 18 2 5 13 12 1 6 18 1 1 7 2 1 1 8 2 3 2 9 12 8 ar 10 12 11 ar 11 1 5 1 12 3 8 1 13 3 4 1 14 17 16 3 15 16 11 1 16 8 10 ar 17 11 9 ar 18 5 4 1 19 5 6 2 20 9 10 ar 21 6 7 2