@MOLECULE 2-bromo-1-benzothiophene 1,1-dioxide 17 18 0 0 0 SMALL USER_CHARGES @ATOM 1 BR1 -2.6146 -0.4827 -0.0026 Br 1 GAPM1111111111 0.0410 2 S1 0.1236 1.2067 0.0033 S.O2 1 GAPM1111111111 2.1874 3 O1 -0.0778 1.8763 1.2612 O.2 1 GAPM1111111111 -0.8483 4 O2 -0.0875 1.8929 -1.2438 O.2 1 GAPM1111111111 -0.8478 5 C2 -0.7651 -0.3630 0.0002 C.2 1 GAPM1111111111 -0.3695 6 C3 0.0814 -1.4004 0.0020 C.2 1 GAPM1111111111 -0.1197 7 C31 1.5005 -1.0100 0.0013 C.ar 1 GAPM1111111111 -0.0066 8 C4 2.5843 -1.8730 0.0049 C.ar 1 GAPM1111111111 -0.1458 9 C5 3.8751 -1.3274 0.0013 C.ar 1 GAPM1111111111 -0.1127 10 C6 4.0656 0.0498 -0.0079 C.ar 1 GAPM1111111111 -0.1567 11 C7 2.9662 0.9236 -0.0112 C.ar 1 GAPM1111111111 -0.0541 12 C71 1.6997 0.3842 -0.0047 C.ar 1 GAPM1111111111 -0.3719 13 H3 -0.1823 -2.4520 0.0028 H 1 GAPM1111111111 0.1751 14 H7 3.1338 2.0027 -0.0179 H 1 GAPM1111111111 0.1652 15 H6 5.0746 0.4593 -0.0122 H 1 GAPM1111111111 0.1554 16 H5 4.7368 -1.9947 0.0053 H 1 GAPM1111111111 0.1512 17 H4 2.4437 -2.9511 0.0097 H 1 GAPM1111111111 0.1580 @BOND 1 1 5 1 2 2 3 2 3 2 4 2 4 2 5 1 5 2 12 1 6 5 6 2 7 6 7 1 8 6 13 1 9 7 8 ar 10 7 12 ar 11 8 9 ar 12 8 17 1 13 9 10 ar 14 9 16 1 15 10 11 ar 16 10 15 1 17 11 12 ar 18 11 14 1