@MOLECULE 4-aminophenyl disulfide 28 29 0 0 0 SMALL USER_CHARGES @ATOM 1 S -0.5816 1.8868 0.8691 S.3 1 UNL111111 0.0053 2 S 0.6349 1.9031 -0.7430 S.3 1 UNL111111 -0.0047 3 N -4.6692 -2.1884 -0.4385 N.pl3 1 UNL111111 -0.6364 4 N 4.6306 -2.3224 0.3048 N.pl3 1 UNL111111 -0.6385 5 C -1.8016 0.6697 0.5043 C.ar 1 UNL111111 -0.2341 6 C 1.8137 0.6270 -0.4770 C.ar 1 UNL111111 -0.2388 7 C -3.7396 -1.2240 -0.0997 C.ar 1 UNL111111 0.3043 8 C 3.7001 -1.3425 0.0304 C.ar 1 UNL111111 0.3149 9 C -2.6633 0.8779 -0.5760 C.ar 1 UNL111111 -0.0146 10 C 1.5464 -0.6940 -0.8443 C.ar 1 UNL111111 -0.0100 11 C -1.9065 -0.4813 1.2865 C.ar 1 UNL111111 -0.0162 12 C 3.0278 0.9696 0.1240 C.ar 1 UNL111111 -0.0068 13 C -3.6339 -0.0590 -0.8897 C.ar 1 UNL111111 -0.3270 14 C 2.4805 -1.6870 -0.5914 C.ar 1 UNL111111 -0.3313 15 C -2.8788 -1.4283 0.9988 C.ar 1 UNL111111 -0.3274 16 C 3.9785 -0.0043 0.3822 C.ar 1 UNL111111 -0.3357 17 H -2.5776 1.7779 -1.1926 H 1 UNL111111 0.1616 18 H 0.6019 -0.9598 -1.3290 H 1 UNL111111 0.1604 19 H -1.2282 -0.6487 2.1283 H 1 UNL111111 0.1600 20 H 3.2391 2.0077 0.3975 H 1 UNL111111 0.1589 21 H -4.2999 0.0925 -1.7311 H 1 UNL111111 0.1601 22 H 2.2785 -2.7150 -0.8685 H 1 UNL111111 0.1627 23 H -2.9737 -2.3181 1.6092 H 1 UNL111111 0.1613 24 H 4.9211 0.2551 0.8465 H 1 UNL111111 0.1603 25 H -5.3466 -2.0097 -1.1468 H 1 UNL111111 0.3016 26 H -4.8268 -2.9742 0.1494 H 1 UNL111111 0.3012 27 H 5.5004 -2.0986 0.7308 H 1 UNL111111 0.3043 28 H 4.4668 -3.2717 0.0611 H 1 UNL111111 0.3044 @BOND 1 21 13 1 2 18 10 1 3 17 9 1 4 25 3 1 5 13 9 ar 6 13 7 ar 7 22 14 1 8 10 14 ar 9 10 6 ar 10 2 6 1 11 2 1 1 12 14 8 ar 13 9 5 ar 14 6 12 ar 15 3 7 1 16 3 26 1 17 7 15 ar 18 8 4 1 19 8 16 ar 20 28 4 1 21 12 16 ar 22 12 20 1 23 4 27 1 24 16 24 1 25 5 1 1 26 5 11 ar 27 15 11 ar 28 15 23 1 29 11 19 1