@MOLECULE 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine 26 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.8917 -0.0145 0.3054 S.3 1 UNL1 1.7096 2 N 4.0153 2.8996 0.4782 N.1 2 UNL2 -0.5859 3 C 3.6010 3.9364 0.0632 C.1 2 UNL2 0.4517 4 N 1.8499 0.1651 0.0978 N.2 2 UNL2 -0.1039 5 C 3.0719 -0.0984 -0.2116 C.2 2 UNL2 -0.0511 6 C 4.3776 0.5329 0.1334 C.2 2 UNL2 0.2704 7 C 4.5157 1.7306 1.0110 C.2 2 UNL2 0.3130 8 N 5.0583 1.6467 2.1651 N.2 2 UNL2 -0.1517 9 N 5.3549 -0.1042 -0.4371 N.2 2 UNL2 -0.5194 10 C 4.9035 -1.2323 -1.2239 C.3 2 UNL2 0.6043 11 N 3.4646 -1.2154 -1.0753 N.pl3 2 UNL2 -0.5377 12 C 2.5480 -2.0522 -1.5937 C.2 2 UNL2 0.2939 13 C -4.3887 2.0701 -1.0261 C.1 1 UNL1 0.0673 14 C -5.1366 3.0127 -1.6933 C.1 1 UNL1 0.1072 15 N -5.7790 3.7966 -2.2550 N.1 1 UNL1 -0.1228 16 C -3.7520 1.2252 -0.4316 C.1 1 UNL1 -0.2877 17 C 1.1494 -1.7256 -1.1942 C.2 2 UNL2 0.0891 18 O 0.8620 -0.6032 -0.3665 O.2 2 UNL2 -0.0015 19 O -2.3024 0.7070 1.6741 O.3 1 UNL1 -0.3106 20 C 0.0655 -2.3626 -1.5156 C.1 2 UNL2 -0.4910 21 O -2.8745 -2.1941 4.2008 O.2 1 UNL1 -0.4593 22 O -3.5666 -0.0508 1.8246 O.3 1 UNL1 -0.3665 23 C -1.1234 -2.8467 -1.7157 C.1 2 UNL2 0.6414 24 O -2.1093 -3.3913 -1.9836 O.3 2 UNL2 -0.2238 25 C -2.3384 -1.8795 3.2442 C.2 1 UNL1 0.4566 26 N -2.3589 -1.1023 -0.5060 N.3 1 UNL1 -0.7915 @BOND 1 15 14 3 2 24 23 1 3 23 20 3 4 14 13 1 5 12 17 2 6 12 11 1 7 20 17 1 8 10 11 1 9 10 9 1 10 17 18 1 11 11 5 1 12 13 16 3 13 26 1 1 14 9 6 2 15 16 1 1 16 18 4 1 17 5 4 2 18 5 6 1 19 3 2 3 20 6 7 1 21 1 19 1 22 1 22 1 23 2 7 1 24 7 8 2 25 19 22 1 26 25 21 2