@MOLECULE 6,8-disulfanylnonanoic acid 31 30 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.4880 1.5689 1.0925 S.3 1 UNL1111111111 -0.2290 2 S 4.0108 -1.0658 0.5173 S.3 1 UNL1111111111 -0.2378 3 O -3.3865 1.2661 -0.9219 O.3 1 UNL1111111111 -0.5779 4 O -4.7137 0.3354 0.6042 O.2 1 UNL1111111111 -0.5031 5 C 0.8295 -0.0361 0.2380 C.3 1 UNL1111111111 -0.1321 6 C -0.4433 -0.6488 -0.3519 C.3 1 UNL1111111111 -0.2911 7 C 1.8836 0.1376 -0.8605 C.3 1 UNL1111111111 -0.3049 8 C -1.4447 -1.0732 0.7291 C.3 1 UNL1111111111 -0.2699 9 C 3.2920 0.4171 -0.3286 C.3 1 UNL1111111111 -0.1000 10 C -2.6155 -1.8718 0.1412 C.3 1 UNL1111111111 -0.2540 11 C -3.4161 -1.0807 -0.9012 C.3 1 UNL1111111111 -0.3456 12 C 4.2017 0.8887 -1.4550 C.3 1 UNL1111111111 -0.4608 13 C -3.9303 0.1853 -0.2943 C.2 1 UNL1111111111 0.6543 14 H 1.2188 -0.7026 1.0489 H 1 UNL1111111111 0.1790 15 H -0.9268 0.0504 -1.0638 H 1 UNL1111111111 0.1512 16 H -0.1708 -1.5383 -0.9583 H 1 UNL1111111111 0.1442 17 H 1.5858 0.9561 -1.5513 H 1 UNL1111111111 0.1536 18 H 1.8936 -0.7640 -1.5092 H 1 UNL1111111111 0.1477 19 H -0.9346 -1.6858 1.4992 H 1 UNL1111111111 0.1465 20 H -1.8323 -0.1883 1.2732 H 1 UNL1111111111 0.1591 21 H 3.2611 1.1985 0.4734 H 1 UNL1111111111 0.1782 22 H -2.2429 -2.8084 -0.3175 H 1 UNL1111111111 0.1445 23 H -3.2905 -2.1870 0.9653 H 1 UNL1111111111 0.1547 24 H -2.7940 -0.8703 -1.7976 H 1 UNL1111111111 0.1783 25 H -4.2761 -1.6851 -1.2640 H 1 UNL1111111111 0.1745 26 H 4.2489 0.1805 -2.2903 H 1 UNL1111111111 0.1471 27 H 3.8502 1.8458 -1.8669 H 1 UNL1111111111 0.1548 28 H 5.2319 1.0621 -1.1122 H 1 UNL1111111111 0.1627 29 H -0.2075 2.2012 0.1395 H 1 UNL1111111111 0.1630 30 H 4.1479 -1.8919 -0.5259 H 1 UNL1111111111 0.1584 31 H -3.7005 2.1315 -0.5641 H 1 UNL1111111111 0.3544 @BOND 1 1 5 1 2 1 29 1 3 2 9 1 4 2 30 1 5 3 13 1 6 3 31 1 7 4 13 2 8 5 6 1 9 5 7 1 10 5 14 1 11 6 8 1 12 6 15 1 13 6 16 1 14 7 9 1 15 7 17 1 16 7 18 1 17 8 10 1 18 8 19 1 19 8 20 1 20 9 12 1 21 9 21 1 22 10 11 1 23 10 22 1 24 10 23 1 25 11 13 1 26 11 24 1 27 11 25 1 28 12 26 1 29 12 27 1 30 12 28 1