@MOLECULE disulfane, bis(2-diisopropylaminoethyl)- 56 55 0 0 0 SMALL USER_CHARGES @ATOM 1 S -0.3863 2.1420 0.9225 S.3 1 UNL111111 -0.0351 2 S 0.3871 2.1430 -0.9220 S.3 1 UNL111111 -0.0351 3 N -3.4413 -0.5032 0.2464 N.3 1 UNL111111 -0.5061 4 N 3.4413 -0.5033 -0.2465 N.3 1 UNL111111 -0.5061 5 C -4.9139 -0.3924 0.2156 C.3 1 UNL111111 0.1156 6 C -2.8529 -1.5527 -0.6167 C.3 1 UNL111111 0.1119 7 C 4.9139 -0.3938 -0.2157 C.3 1 UNL111111 0.1156 8 C 2.8517 -1.5519 0.6168 C.3 1 UNL111111 0.1119 9 C -2.7277 0.7877 0.1294 C.3 1 UNL111111 -0.0900 10 C 2.7288 0.7883 -0.1301 C.3 1 UNL111111 -0.0899 11 C -1.5385 0.7402 1.1005 C.3 1 UNL111111 -0.3422 12 C 1.5396 0.7416 -1.1012 C.3 1 UNL111111 -0.3422 13 C -5.4887 0.5876 -0.8274 C.3 1 UNL111111 -0.5008 14 C -5.3806 0.0271 1.6245 C.3 1 UNL111111 -0.4609 15 C -3.2208 -1.4690 -2.1093 C.3 1 UNL111111 -0.5013 16 C -3.2366 -2.9351 -0.0572 C.3 1 UNL111111 -0.4638 17 C 5.4895 0.5858 0.8273 C.3 1 UNL111111 -0.5008 18 C 5.3809 0.0251 -1.6248 C.3 1 UNL111111 -0.4609 19 C 3.2192 -1.4680 2.1095 C.3 1 UNL111111 -0.5013 20 C 3.2343 -2.9349 0.0579 C.3 1 UNL111111 -0.4638 21 H -5.3263 -1.4142 -0.0001 H 1 UNL111111 0.1320 22 H -1.7352 -1.4464 -0.5297 H 1 UNL111111 0.1308 23 H 5.3255 -1.4159 0.0002 H 1 UNL111111 0.1320 24 H 1.7342 -1.4448 0.5294 H 1 UNL111111 0.1308 25 H -3.4038 1.6263 0.4091 H 1 UNL111111 0.1440 26 H -2.4065 0.9880 -0.9159 H 1 UNL111111 0.1330 27 H 3.4057 1.6262 -0.4101 H 1 UNL111111 0.1440 28 H 2.4078 0.9893 0.9151 H 1 UNL111111 0.1330 29 H -1.9080 0.7697 2.1467 H 1 UNL111111 0.1770 30 H -0.9978 -0.2210 1.0137 H 1 UNL111111 0.1653 31 H 1.9091 0.7721 -2.1475 H 1 UNL111111 0.1769 32 H 0.9991 -0.2198 -1.0153 H 1 UNL111111 0.1653 33 H -5.2965 1.6313 -0.5604 H 1 UNL111111 0.1504 34 H -5.0615 0.4176 -1.8196 H 1 UNL111111 0.1502 35 H -6.5741 0.4691 -0.9070 H 1 UNL111111 0.1494 36 H -5.0382 1.0334 1.8831 H 1 UNL111111 0.1465 37 H -4.9719 -0.6546 2.3808 H 1 UNL111111 0.1557 38 H -6.4708 0.0075 1.6977 H 1 UNL111111 0.1411 39 H -4.2879 -1.6447 -2.2746 H 1 UNL111111 0.1496 40 H -2.9716 -0.4887 -2.5282 H 1 UNL111111 0.1490 41 H -2.6734 -2.2227 -2.6852 H 1 UNL111111 0.1515 42 H -4.2765 -3.1954 -0.2738 H 1 UNL111111 0.1429 43 H -3.1165 -2.9546 1.0338 H 1 UNL111111 0.1599 44 H -2.6010 -3.7166 -0.4837 H 1 UNL111111 0.1445 45 H 5.2981 1.6297 0.5602 H 1 UNL111111 0.1503 46 H 5.0622 0.4162 1.8195 H 1 UNL111111 0.1502 47 H 6.5748 0.4665 0.9069 H 1 UNL111111 0.1494 48 H 5.0389 1.0316 -1.8836 H 1 UNL111111 0.1465 49 H 4.9715 -0.6564 -2.3807 H 1 UNL111111 0.1557 50 H 6.4711 0.0047 -1.6979 H 1 UNL111111 0.1411 51 H 4.2862 -1.6443 2.2752 H 1 UNL111111 0.1496 52 H 2.9705 -0.4874 2.5282 H 1 UNL111111 0.1490 53 H 2.6711 -2.2211 2.6854 H 1 UNL111111 0.1515 54 H 4.2738 -3.1963 0.2752 H 1 UNL111111 0.1429 55 H 3.1141 -2.9545 -1.0332 H 1 UNL111111 0.1599 56 H 2.5981 -3.7157 0.4847 H 1 UNL111111 0.1445 @BOND 1 41 15 1 2 40 15 1 3 49 18 1 4 39 15 1 5 31 12 1 6 15 6 1 7 48 18 1 8 34 13 1 9 50 18 1 10 18 7 1 11 12 32 1 12 12 2 1 13 12 10 1 14 55 20 1 15 2 1 1 16 26 9 1 17 35 13 1 18 13 33 1 19 13 5 1 20 6 22 1 21 6 16 1 22 6 3 1 23 44 16 1 24 27 10 1 25 42 16 1 26 4 7 1 27 4 10 1 28 4 8 1 29 7 23 1 30 7 17 1 31 10 28 1 32 16 43 1 33 21 5 1 34 20 54 1 35 20 56 1 36 20 8 1 37 9 3 1 38 9 25 1 39 9 11 1 40 5 3 1 41 5 14 1 42 24 8 1 43 45 17 1 44 8 19 1 45 17 47 1 46 17 46 1 47 1 11 1 48 30 11 1 49 11 29 1 50 14 38 1 51 14 36 1 52 14 37 1 53 19 51 1 54 19 52 1 55 19 53 1