@MOLECULE N'-[2-(disulfanyl)ethyl]-N-ethyl-N,N'-dimethyl-ethane-1,2-diamine 32 31 0 0 0 SMALL USER_CHARGES @ATOM 1 S 3.5366 -0.2047 0.0639 S.3 1 UNL11 0.0010 2 S 2.9255 -2.1158 0.0209 S.3 1 UNL11 -0.1977 3 N 0.0235 1.8857 0.1299 N.3 1 UNL11 -0.4292 4 N -3.0075 -0.2761 -0.1745 N.3 1 UNL11 -0.4191 5 C -1.2901 1.4552 -0.4008 C.3 1 UNL11 -0.1189 6 C -1.6772 0.1415 0.3289 C.3 1 UNL11 -0.1286 7 C 1.1486 1.1529 -0.5058 C.3 1 UNL11 -0.1100 8 C -3.7719 -0.9924 0.8792 C.3 1 UNL11 -0.0890 9 C 0.1966 3.3472 0.0118 C.3 1 UNL11 -0.2704 10 C -2.8712 -1.1027 -1.3927 C.3 1 UNL11 -0.2754 11 C 2.1540 0.8479 0.6135 C.3 1 UNL11 -0.3423 12 C -5.2489 -1.0917 0.4761 C.3 1 UNL11 -0.4471 13 H -1.3016 1.3190 -1.5000 H 1 UNL11 0.1196 14 H -2.0619 2.2239 -0.1756 H 1 UNL11 0.1545 15 H -1.7191 0.3509 1.4202 H 1 UNL11 0.1496 16 H -0.8949 -0.6317 0.1950 H 1 UNL11 0.1211 17 H 0.7749 0.2128 -0.9659 H 1 UNL11 0.1353 18 H 1.6244 1.7285 -1.3284 H 1 UNL11 0.1292 19 H -3.3624 -2.0015 1.0952 H 1 UNL11 0.1109 20 H -3.6963 -0.4017 1.8205 H 1 UNL11 0.1359 21 H 1.1840 3.6329 0.4102 H 1 UNL11 0.1430 22 H -0.5625 3.8421 0.6427 H 1 UNL11 0.1504 23 H 0.1081 3.7361 -1.0134 H 1 UNL11 0.1195 24 H -2.2838 -0.5537 -2.1456 H 1 UNL11 0.1385 25 H -3.8730 -1.2666 -1.8241 H 1 UNL11 0.1475 26 H -2.3985 -2.0821 -1.2266 H 1 UNL11 0.1182 27 H 1.6252 0.4131 1.4866 H 1 UNL11 0.1839 28 H 2.6100 1.7843 0.9934 H 1 UNL11 0.1724 29 H -5.6089 -0.1247 0.0985 H 1 UNL11 0.1620 30 H -5.4106 -1.8320 -0.3127 H 1 UNL11 0.1405 31 H -5.8707 -1.3709 1.3317 H 1 UNL11 0.1398 32 H 2.4142 -2.3193 -1.2006 H 1 UNL11 0.1550 @BOND 1 24 10 1 2 25 10 1 3 13 5 1 4 10 26 1 5 10 4 1 6 32 2 1 7 18 7 1 8 17 7 1 9 23 9 1 10 7 3 1 11 7 11 1 12 30 12 1 13 5 14 1 14 5 3 1 15 5 6 1 16 4 6 1 17 4 8 1 18 2 1 1 19 1 11 1 20 9 3 1 21 9 21 1 22 9 22 1 23 29 12 1 24 16 6 1 25 6 15 1 26 12 8 1 27 12 31 1 28 11 28 1 29 11 27 1 30 8 19 1 31 8 20 1