@MOLECULE 8-bromoadenosine 32 34 0 0 0 SMALL GASTEIGER @ATOM 1 BR -0.9134 -2.9437 0.2593 Br 1 UNL1111 0.0967 2 O4* 1.6907 0.7316 1.0340 O.3 1 UNL1111 -0.3729 3 O2* 2.3107 -1.9606 -1.0999 O.3 1 UNL1111 -0.5139 4 O3* 4.3107 -0.5562 -0.2261 O.3 1 UNL1111 -0.5446 5 O5* 2.1313 3.4064 1.0130 O.3 1 UNL1111 -0.5279 6 N -0.2294 -0.1586 0.0937 N.ar 1 UNL1111 -0.3699 7 N -2.4711 -0.6325 -0.0049 N.ar 1 UNL1111 -0.3144 8 N -0.4084 2.3245 -0.1439 N.ar 1 UNL1111 -0.5277 9 N -2.6911 3.0966 -0.3622 N.ar 1 UNL1111 -0.5637 10 N -4.5411 1.6697 -0.3150 N.pl3 1 UNL1111 -0.5437 11 C2* 2.0154 -0.6083 -0.9427 C.3 1 UNL1111 0.0539 12 C1* 1.1907 -0.3948 0.3634 C.3 1 UNL1111 0.2423 13 C3* 3.2758 0.2699 -0.7205 C.3 1 UNL1111 0.0418 14 C4* 2.8983 1.2118 0.4345 C.3 1 UNL1111 0.0330 15 C5* 2.6692 2.6527 -0.0454 C.3 1 UNL1111 -0.0300 16 C -0.8874 1.0596 -0.0518 C.ar 1 UNL1111 0.3204 17 C -1.2535 -1.1378 0.1271 C.ar 1 UNL1111 0.1745 18 C -2.2931 0.7442 -0.1169 C.ar 1 UNL1111 -0.2145 19 C -3.1953 1.8297 -0.2684 C.ar 1 UNL1111 0.4714 20 C -1.3524 3.2782 -0.3013 C.ar 1 UNL1111 0.3004 21 H2* 1.4496 -0.3411 -1.8597 H 1 UNL1111 0.1701 22 H1* 1.2942 -1.2538 1.0786 H 1 UNL1111 0.1701 23 H3* 3.5992 0.7914 -1.6373 H 1 UNL1111 0.1367 24 H4* 3.6293 1.1718 1.2765 H 1 UNL1111 0.1767 25 H5*1 1.9866 2.6970 -0.9157 H 1 UNL1111 0.1381 26 H5*2 3.6238 3.1565 -0.2809 H 1 UNL1111 0.1357 27 H2* 3.0796 -2.2148 -0.5324 H 1 UNL1111 0.3361 28 H3* 5.0088 -0.6802 -0.9019 H 1 UNL1111 0.3251 29 H5* 1.1953 3.1073 1.1436 H 1 UNL1111 0.3435 30 H -0.9944 4.3209 -0.3843 H 1 UNL1111 0.2029 31 H -4.9418 0.7515 -0.2581 H 1 UNL1111 0.3297 32 H -5.1457 2.4643 -0.4120 H 1 UNL1111 0.3243 @BOND 1 1 17 1 2 2 12 1 3 2 14 1 4 3 11 1 5 3 27 1 6 4 13 1 7 4 28 1 8 5 15 1 9 5 29 1 10 6 12 1 11 6 16 ar 12 6 17 ar 13 7 17 ar 14 7 18 ar 15 8 16 ar 16 8 20 ar 17 9 19 ar 18 9 20 ar 19 10 19 1 20 10 31 1 21 10 32 1 22 11 12 1 23 11 13 1 24 11 21 1 25 12 22 1 26 13 14 1 27 13 23 1 28 14 15 1 29 14 24 1 30 15 25 1 31 15 26 1 32 16 18 ar 33 18 19 ar 34 20 30 1