@MOLECULE dicyclohexylcarbamodithioic acid 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.0038 2.9719 0.0014 S.3 1 UNL1111111111 -0.1693 2 S 1.8793 2.3283 0.0039 S.2 1 UNL1111111111 -0.4882 3 N -0.0523 0.4407 -0.0001 N.am 1 UNL1111111111 -0.3811 4 C 0.9135 -0.6970 -0.0051 C.3 1 UNL1111111111 0.0897 5 C -1.4808 0.0161 0.0013 C.3 1 UNL1111111111 0.0663 6 C 1.7869 -0.7323 -1.2733 C.3 1 UNL1111111111 -0.3078 7 C 1.7762 -0.7407 1.2690 C.3 1 UNL1111111111 -0.3080 8 C -1.8019 -0.7909 -1.2755 C.3 1 UNL1111111111 -0.2992 9 C -1.7990 -0.7993 1.2734 C.3 1 UNL1111111111 -0.2992 10 C 2.5877 -2.0417 -1.2679 C.3 1 UNL1111111111 -0.2570 11 C 2.5736 -2.0516 1.2653 C.3 1 UNL1111111111 -0.2571 12 C -3.2894 -1.1612 -1.2641 C.3 1 UNL1111111111 -0.2578 13 C -3.2861 -1.1723 1.2631 C.3 1 UNL1111111111 -0.2578 14 C 3.4431 -2.1419 0.0034 C.3 1 UNL1111111111 -0.2636 15 C -3.6370 -1.9640 -0.0036 C.3 1 UNL1111111111 -0.2674 16 C 0.3206 1.7251 0.0017 C.2 1 UNL1111111111 0.2493 17 H 0.2934 -1.6425 -0.0127 H 1 UNL1111111111 0.1436 18 H -2.1639 0.9087 0.0054 H 1 UNL1111111111 0.1678 19 H 2.4871 0.1257 -1.3115 H 1 UNL1111111111 0.1829 20 H 1.1635 -0.6520 -2.1799 H 1 UNL1111111111 0.1399 21 H 1.1443 -0.6620 2.1699 H 1 UNL1111111111 0.1399 22 H 2.4774 0.1160 1.3166 H 1 UNL1111111111 0.1829 23 H -1.1865 -1.7065 -1.3415 H 1 UNL1111111111 0.1477 24 H -1.5560 -0.1937 -2.1735 H 1 UNL1111111111 0.1518 25 H -1.5531 -0.2069 2.1749 H 1 UNL1111111111 0.1518 26 H -1.1819 -1.7142 1.3334 H 1 UNL1111111111 0.1478 27 H 3.2359 -2.0847 -2.1633 H 1 UNL1111111111 0.1383 28 H 1.9099 -2.9112 -1.3417 H 1 UNL1111111111 0.1300 29 H 1.8925 -2.9199 1.3236 H 1 UNL1111111111 0.1301 30 H 3.2097 -2.1029 2.1685 H 1 UNL1111111111 0.1383 31 H -3.5378 -1.7469 -2.1687 H 1 UNL1111111111 0.1371 32 H -3.9123 -0.2478 -1.3176 H 1 UNL1111111111 0.1414 33 H -3.9102 -0.2605 1.3270 H 1 UNL1111111111 0.1413 34 H -3.5307 -1.7666 2.1631 H 1 UNL1111111111 0.1371 35 H 4.0149 -3.0868 0.0031 H 1 UNL1111111111 0.1297 36 H 4.1943 -1.3276 0.0109 H 1 UNL1111111111 0.1483 37 H -4.7120 -2.2212 -0.0032 H 1 UNL1111111111 0.1331 38 H -3.0953 -2.9284 -0.0086 H 1 UNL1111111111 0.1388 39 H -0.2495 4.0893 0.0058 H 1 UNL1111111111 0.2084 @BOND 1 1 16 1 2 1 39 1 3 2 16 2 4 3 4 1 5 3 5 1 6 3 16 1 7 4 6 1 8 4 7 1 9 4 17 1 10 5 8 1 11 5 9 1 12 5 18 1 13 6 10 1 14 6 19 1 15 6 20 1 16 7 11 1 17 7 21 1 18 7 22 1 19 8 12 1 20 8 23 1 21 8 24 1 22 9 13 1 23 9 25 1 24 9 26 1 25 10 14 1 26 10 27 1 27 10 28 1 28 11 14 1 29 11 29 1 30 11 30 1 31 12 15 1 32 12 31 1 33 12 32 1 34 13 15 1 35 13 33 1 36 13 34 1 37 14 35 1 38 14 36 1 39 15 37 1 40 15 38 1