@MOLECULE 8-bromo-2'-deoxy(n~2~,n~8~,6-~15~n_3_)guanosine 32 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -2.9276 1.4827 0.0322 Br 1 UNL1 0.0710 2 O4* 0.1128 -2.0166 0.9669 O.3 1 UNL1 -0.4233 3 O3* -1.9804 -4.1350 -0.1551 O.3 1 UNL1 -0.5302 4 O5* 2.4797 -2.8192 -0.3200 O.3 1 UNL1 -0.5590 5 O 2.5058 3.6590 -0.6911 O.2 1 UNL1 -0.3642 6 N -0.3946 0.1847 0.4017 N.ar 1 UNL1 -0.3918 7 N 2.0668 -0.1871 0.7004 N.ar 1 UNL1 -0.5226 8 N -0.2750 2.3581 -0.2951 N.ar 1 UNL1 -0.2350 9 N 3.4135 1.6638 -0.0830 N.ar 1 UNL1 -0.6074 10 N 4.4040 -0.4180 0.3953 N.pl3 1 UNL1 -0.6149 11 C1* -0.9592 -1.1260 0.7602 C.3 1 UNL1 0.3107 12 C2* -1.8475 -1.7133 -0.3503 C.3 1 UNL1 -0.4074 13 C3* -1.2260 -3.0827 -0.6835 C.3 1 UNL1 0.1273 14 C4* 0.1739 -3.0274 -0.0411 C.3 1 UNL1 0.0285 15 C5* 1.2738 -2.7013 -1.0555 C.3 1 UNL1 -0.0459 16 C 0.9479 0.5408 0.3504 C.ar 1 UNL1 0.2570 17 C -1.0913 1.3569 0.0132 C.ar 1 UNL1 0.1082 18 C 1.0098 1.8839 -0.1073 C.ar 1 UNL1 -0.1880 19 C 2.3060 2.5329 -0.3320 C.ar 1 UNL1 0.6184 20 C 3.2902 0.4356 0.3345 C.ar 1 UNL1 0.5577 21 H1* -1.4543 -1.0367 1.7628 H 1 UNL1 0.1667 22 H2*1 -1.8847 -1.0736 -1.2519 H 1 UNL1 0.1864 23 H2*2 -2.8986 -1.8275 -0.0255 H 1 UNL1 0.1884 24 H3* -1.2240 -3.3148 -1.7700 H 1 UNL1 0.1641 25 H4* 0.4327 -3.9419 0.5441 H 1 UNL1 0.1844 26 H5*1 1.1699 -1.6889 -1.4820 H 1 UNL1 0.1327 27 H5*2 1.3078 -3.4502 -1.8709 H 1 UNL1 0.1440 28 H3* -2.0443 -4.0858 0.8228 H 1 UNL1 0.3232 29 H 1.9898 -1.1896 0.8931 H 1 UNL1 0.3659 30 H5* 3.1886 -2.2577 -0.7068 H 1 UNL1 0.3383 31 H 5.2901 0.0425 0.1988 H 1 UNL1 0.3198 32 H 4.4573 -1.0442 1.1841 H 1 UNL1 0.2969 @BOND 1 27 15 1 2 24 13 1 3 26 15 1 4 22 12 1 5 15 4 1 6 15 14 1 7 30 4 1 8 5 19 2 9 13 12 1 10 13 3 1 11 13 14 1 12 12 23 1 13 12 11 1 14 19 18 ar 15 19 9 ar 16 8 18 ar 17 8 17 ar 18 3 28 1 19 18 16 ar 20 9 20 ar 21 14 25 1 22 14 2 1 23 17 1 1 24 17 6 ar 25 31 10 1 26 20 10 1 27 20 7 ar 28 16 6 ar 29 16 7 ar 30 10 32 1 31 6 11 1 32 7 29 1 33 11 2 1 34 11 21 1