@MOLECULE 2'-deoxy-8-(2-pyrenylamino)guanosine 36 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 4.3686 -3.8163 0.3318 N.ar 1 UNL1 -0.3967 2 C 5.1031 -2.6153 -0.1707 C.ar 1 UNL1 0.2875 3 N 4.7625 -1.2870 -0.0818 N.ar 1 UNL1 -0.4107 4 C 2.9273 -3.7292 0.0033 C.ar 1 UNL1 0.5620 5 C 2.4868 -2.3311 0.0460 C.ar 1 UNL1 -0.3208 6 C 3.4388 -1.2523 0.0458 C.ar 1 UNL1 0.3091 7 N 2.6568 -0.0455 0.1668 N.ar 1 UNL1 -0.1973 8 C 1.2362 -0.5232 0.1941 C.ar 1 UNL1 0.2558 9 N 1.2060 -1.8379 0.1297 N.ar 1 UNL1 -0.1625 10 C3* 3.4004 3.4942 0.0587 C.2 1 UNL1 0.2429 11 C2* 2.3533 2.4813 0.5701 C.3 1 UNL1 0.4608 12 C1* 3.0997 1.1814 0.2349 C.3 1 UNL1 0.1802 13 O4* 4.4470 1.3518 0.1021 O.2 1 UNL1 -0.0641 14 C4* 4.6593 2.7512 0.0132 C.2 1 UNL1 -0.4066 15 C5* 5.9098 3.1702 -0.1642 C.1 1 UNL1 0.5547 16 O5* 6.9768 3.5744 -0.2955 O.2 1 UNL1 -0.1096 17 O3* 3.2288 4.6564 -0.1776 O.2 1 UNL1 -0.3097 18 O 2.2670 -4.7133 -0.1395 O.2 1 UNL1 -0.3401 19 N 5.4185 -3.7417 -0.7072 N.ar 1 UNL1 -0.0972 20 N 0.3270 0.5067 0.1682 N.2 1 UNL1 -0.4200 21 C -5.7350 0.1462 -0.0457 C.ar 1 UNL1 0.0017 22 C -4.3311 0.1984 0.0358 C.ar 1 UNL1 -0.0888 23 C -3.4833 1.4437 0.0127 C.3 1 UNL1 0.0271 24 C -6.5202 1.4394 -0.1700 C.ar 1 UNL1 0.0237 25 C -3.3975 -0.9796 0.1487 C.ar 1 UNL1 0.0388 26 C -6.4284 -1.2068 -0.0127 C.ar 1 UNL1 0.0346 27 C -5.6325 2.4826 -0.1729 C.2 1 UNL1 -0.1740 28 C -4.2232 -2.0785 0.1651 C.ar 1 UNL1 0.1512 29 C -5.4700 -2.1777 0.0996 C.ar 1 UNL1 -0.1864 30 C -4.3828 2.4763 -0.0956 C.2 1 UNL1 0.1120 31 C -0.9366 0.3315 0.1687 C.2 1 UNL1 0.3796 32 C -8.5190 0.0391 -0.2209 C.ar 1 UNL1 -0.1351 33 C -7.8457 1.1454 -0.2414 C.ar 1 UNL1 0.2399 34 C -7.7699 -1.0130 -0.1126 C.ar 1 UNL1 0.2419 35 C -2.1906 1.0031 0.1005 C.3 1 UNL1 -0.1458 36 C -2.1399 -0.4434 0.1806 C.3 1 UNL1 -0.1382 @BOND 1 19 2 ar 2 19 1 ar 3 16 15 2 4 33 32 ar 5 33 24 ar 6 32 34 ar 7 17 10 2 8 27 24 1 9 27 30 2 10 2 3 ar 11 2 1 ar 12 24 21 ar 13 15 14 2 14 18 4 2 15 34 26 ar 16 30 23 1 17 3 6 ar 18 21 26 ar 19 21 22 ar 20 26 29 ar 21 4 5 ar 22 4 1 ar 23 23 22 1 24 23 35 1 25 14 10 1 26 14 13 1 27 22 25 ar 28 6 5 ar 29 6 7 ar 30 5 9 ar 31 10 11 1 32 29 28 ar 33 35 31 1 34 35 36 1 35 13 12 1 36 9 8 ar 37 25 28 ar 38 25 36 1 39 7 8 ar 40 7 12 1 41 20 31 2 42 20 8 1 43 31 36 1 44 12 11 1