@MOLECULE n-{2-[(2-acetamidoethyl)disulfanyl]ethyl}-4-(oxoacetyl)benzamide 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.9994 0.7198 -0.7119 S.3 1 UNL1111111 -0.0355 2 S 3.2061 0.2043 0.7853 S.3 1 UNL1111111 -0.0367 3 O -1.8153 3.2758 -0.4202 O.2 1 UNL1111111 -0.5152 4 O 7.6280 -1.2644 0.3338 O.2 1 UNL1111111 -0.5359 5 O -7.3378 -0.9827 -0.1603 O.2 1 UNL1111111 -0.3726 6 O -6.2480 -3.6745 0.6191 O.2 1 UNL1111111 -0.3445 7 N -0.6130 1.8108 0.8129 N.am 1 UNL1111111 -0.5858 8 N 5.6286 -1.3231 -0.7249 N.am 1 UNL1111111 -0.6085 9 C 0.5811 2.6593 0.7718 C.3 1 UNL1111111 -0.0504 10 C 1.3966 2.4314 -0.5071 C.3 1 UNL1111111 -0.3671 11 C -2.8528 1.1907 0.0267 C.ar 1 UNL1111111 -0.0872 12 C -1.7348 2.1783 0.0959 C.2 1 UNL1111111 0.5653 13 C 5.5495 0.1361 -0.7943 C.3 1 UNL1111111 -0.0551 14 C 4.9188 0.7499 0.4618 C.3 1 UNL1111111 -0.3689 15 C -2.6362 -0.1786 -0.1317 C.ar 1 UNL1111111 -0.1461 16 C -4.1496 1.7006 0.0787 C.ar 1 UNL1111111 -0.1154 17 C -5.0237 -0.5462 -0.1049 C.ar 1 UNL1111111 -0.1343 18 C -3.7233 -1.0485 -0.1926 C.ar 1 UNL1111111 -0.1147 19 C -5.2348 0.8303 0.0188 C.ar 1 UNL1111111 -0.0833 20 C 6.6894 -1.9230 -0.0618 C.2 1 UNL1111111 0.6089 21 C -6.2148 -1.4211 -0.1619 C.2 1 UNL1111111 0.3426 22 C 6.6161 -3.4160 0.1002 C.3 1 UNL1111111 -0.5309 23 C -6.0199 -2.9286 -0.2933 C.2 1 UNL1111111 0.2338 24 H 1.1888 2.4734 1.6883 H 1 UNL1111111 0.1520 25 H 0.2633 3.7340 0.8164 H 1 UNL1111111 0.1720 26 H 0.7554 2.6168 -1.3994 H 1 UNL1111111 0.1921 27 H 2.2237 3.1576 -0.5737 H 1 UNL1111111 0.1652 28 H -0.5062 0.8850 1.1938 H 1 UNL1111111 0.3163 29 H 6.5864 0.5469 -0.9180 H 1 UNL1111111 0.1738 30 H 4.9893 0.4244 -1.7151 H 1 UNL1111111 0.1490 31 H 4.9827 1.8520 0.4229 H 1 UNL1111111 0.1660 32 H 5.4955 0.4429 1.3649 H 1 UNL1111111 0.1914 33 H -1.6248 -0.5730 -0.2259 H 1 UNL1111111 0.1627 34 H -4.3054 2.7805 0.1549 H 1 UNL1111111 0.1816 35 H -3.5455 -2.1183 -0.3104 H 1 UNL1111111 0.1557 36 H -6.2566 1.2212 0.0601 H 1 UNL1111111 0.1802 37 H 4.7936 -1.8351 -0.9514 H 1 UNL1111111 0.3122 38 H 7.6225 -3.8161 0.3114 H 1 UNL1111111 0.1901 39 H 5.9785 -3.6929 0.9517 H 1 UNL1111111 0.1773 40 H 6.2433 -3.9283 -0.7961 H 1 UNL1111111 0.1700 41 H -5.7012 -3.2824 -1.2812 H 1 UNL1111111 0.1299 @BOND 1 1 2 1 2 1 10 1 3 2 14 1 4 3 12 2 5 4 20 2 6 5 21 2 7 6 23 2 8 7 9 1 9 7 12 am 10 7 28 1 11 8 13 1 12 8 20 am 13 8 37 1 14 9 10 1 15 9 24 1 16 9 25 1 17 10 26 1 18 10 27 1 19 11 12 1 20 11 15 ar 21 11 16 ar 22 13 14 1 23 13 29 1 24 13 30 1 25 14 31 1 26 14 32 1 27 15 18 ar 28 15 33 1 29 16 19 ar 30 16 34 1 31 17 18 ar 32 17 19 ar 33 17 21 1 34 18 35 1 35 19 36 1 36 20 22 1 37 21 23 1 38 22 38 1 39 22 39 1 40 22 40 1 41 23 41 1