@MOLECULE sulfamethoxazole 28 29 0 0 0 SMALL USER_CHARGES @ATOM 1 S -0.6355 -2.0066 0.1132 S.O2 1 UNL11111111 2.4002 2 O 2.5158 1.1529 0.8678 O.2 1 UNL11111111 0.0198 3 O -1.1978 -2.8582 -0.9139 O.2 1 UNL11111111 -0.9143 4 O -0.4383 -2.4989 1.4458 O.2 1 UNL11111111 -0.8558 5 N 0.9429 -1.6468 -0.6103 N.pl3 1 UNL11111111 -0.8263 6 N 1.5779 0.1326 0.8779 N.ar 1 UNL11111111 -0.3762 7 N -2.8736 3.4312 -0.1878 N.pl3 1 UNL11111111 -0.6332 8 C -1.4078 -0.4638 0.1066 C.ar 1 UNL11111111 -0.5348 9 C -2.1727 -0.0829 -1.0007 C.ar 1 UNL11111111 0.0404 10 C -1.2125 0.4413 1.1575 C.ar 1 UNL11111111 0.0789 11 C 1.7484 -0.5998 -0.2402 C.ar 1 UNL11111111 0.3454 12 C -2.4282 2.1334 -0.0695 C.ar 1 UNL11111111 0.3380 13 C -2.6774 1.2012 -1.1032 C.ar 1 UNL11111111 -0.3558 14 C -1.7083 1.7322 1.0770 C.ar 1 UNL11111111 -0.3506 15 C 2.8653 -0.0505 -1.0010 C.ar 1 UNL11111111 -0.4026 16 C 3.2789 1.0340 -0.2765 C.ar 1 UNL11111111 0.1461 17 C 4.2925 2.0746 -0.4760 C.3 1 UNL11111111 -0.4595 18 H 1.2592 -2.2204 -1.3875 H 1 UNL11111111 0.3346 19 H -2.3816 -0.8052 -1.8005 H 1 UNL11111111 0.1681 20 H -0.6466 0.1348 2.0524 H 1 UNL11111111 0.1846 21 H -3.2553 1.4918 -1.9717 H 1 UNL11111111 0.1586 22 H -1.5263 2.4359 1.8797 H 1 UNL11111111 0.1630 23 H 3.2336 -0.4289 -1.9250 H 1 UNL11111111 0.1833 24 H 4.5477 2.1995 -1.5434 H 1 UNL11111111 0.1787 25 H 3.9550 3.0576 -0.1040 H 1 UNL11111111 0.1774 26 H 5.2288 1.8268 0.0553 H 1 UNL11111111 0.1827 27 H -3.4249 3.7200 -0.9619 H 1 UNL11111111 0.3042 28 H -2.7257 4.0936 0.5404 H 1 UNL11111111 0.3054 @BOND 1 23 15 1 2 21 13 1 3 19 9 1 4 18 5 1 5 24 17 1 6 15 16 ar 7 15 11 ar 8 13 9 ar 9 13 12 ar 10 9 8 ar 11 3 1 2 12 27 7 1 13 5 11 1 14 5 1 1 15 17 16 1 16 17 25 1 17 17 26 1 18 16 2 ar 19 11 6 ar 20 7 12 1 21 7 28 1 22 12 14 ar 23 8 1 1 24 8 10 ar 25 1 4 2 26 6 2 ar 27 14 10 ar 28 14 22 1 29 10 20 1