@MOLECULE 4-isothiocyanato-1-(1-phenylcyclohexyl)piperidine 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 S -6.5088 -0.4659 0.0051 S.2 1 UNL1111111111 -0.2928 2 N 0.3677 0.6025 -0.0079 N.3 1 UNL1111111111 -0.4444 3 N -3.7786 -0.1135 -0.0118 N.2 1 UNL1111111111 -0.4349 4 C 1.8593 0.6234 -0.0037 C.3 1 UNL1111111111 0.2055 5 C 2.3830 1.4049 -1.2437 C.3 1 UNL1111111111 -0.2871 6 C 2.3851 1.4058 1.2381 C.3 1 UNL1111111111 -0.2875 7 C 1.8910 2.8569 -1.2507 C.3 1 UNL1111111111 -0.2521 8 C 1.8942 2.8583 1.2479 C.3 1 UNL1111111111 -0.2524 9 C -0.2057 -0.0527 -1.2078 C.3 1 UNL1111111111 -0.1105 10 C -0.2126 -0.0127 1.2145 C.3 1 UNL1111111111 -0.1096 11 C 2.3829 3.5971 -0.0024 C.3 1 UNL1111111111 -0.2629 12 C 2.4239 -0.7989 0.0014 C.ar 1 UNL1111111111 -0.0689 13 C -1.7190 0.2241 -1.2614 C.3 1 UNL1111111111 -0.3071 14 C -1.7264 0.2641 1.2479 C.3 1 UNL1111111111 -0.3082 15 C -2.3715 -0.3726 0.0009 C.3 1 UNL1111111111 0.1781 16 C 2.6691 -1.4743 -1.1972 C.ar 1 UNL1111111111 -0.1709 17 C 2.6569 -1.4716 1.2037 C.ar 1 UNL1111111111 -0.1708 18 C 3.1350 -2.7870 -1.1963 C.ar 1 UNL1111111111 -0.1374 19 C 3.1226 -2.7843 1.2096 C.ar 1 UNL1111111111 -0.1378 20 C 3.3625 -3.4470 0.0090 C.ar 1 UNL1111111111 -0.1529 21 C -4.9420 -0.3493 -0.0003 C.1 1 UNL1111111111 0.3393 22 H 2.0813 0.9154 -2.1859 H 1 UNL1111111111 0.1320 23 H 3.4895 1.3799 -1.2287 H 1 UNL1111111111 0.1453 24 H 3.4925 1.3801 1.2197 H 1 UNL1111111111 0.1457 25 H 2.0873 0.9159 2.1815 H 1 UNL1111111111 0.1318 26 H 0.7821 2.8710 -1.2780 H 1 UNL1111111111 0.1559 27 H 2.2364 3.3689 -2.1656 H 1 UNL1111111111 0.1258 28 H 2.2423 3.3719 2.1612 H 1 UNL1111111111 0.1260 29 H 0.7853 2.8730 1.2785 H 1 UNL1111111111 0.1552 30 H -0.0108 -1.1467 -1.2542 H 1 UNL1111111111 0.1236 31 H 0.2648 0.3801 -2.1189 H 1 UNL1111111111 0.1465 32 H 0.2513 0.4565 2.1088 H 1 UNL1111111111 0.1471 33 H -0.0156 -1.1053 1.2801 H 1 UNL1111111111 0.1238 34 H 3.4856 3.6636 -0.0044 H 1 UNL1111111111 0.1328 35 H 2.0098 4.6370 -0.0023 H 1 UNL1111111111 0.1294 36 H -1.8973 1.3169 -1.3068 H 1 UNL1111111111 0.1720 37 H -2.1584 -0.2035 -2.1792 H 1 UNL1111111111 0.1509 38 H -2.1684 -0.1340 2.1753 H 1 UNL1111111111 0.1506 39 H -1.9063 1.3580 1.2569 H 1 UNL1111111111 0.1721 40 H -2.2127 -1.4896 0.0205 H 1 UNL1111111111 0.1444 41 H 2.5000 -0.9832 -2.1497 H 1 UNL1111111111 0.1512 42 H 2.4768 -0.9796 2.1581 H 1 UNL1111111111 0.1517 43 H 3.3204 -3.2965 -2.1413 H 1 UNL1111111111 0.1506 44 H 3.2991 -3.2918 2.1571 H 1 UNL1111111111 0.1506 45 H 3.7246 -4.4722 0.0126 H 1 UNL1111111111 0.1502 @BOND 1 1 21 2 2 2 4 1 3 2 9 1 4 2 10 1 5 3 15 1 6 3 21 2 7 4 5 1 8 4 6 1 9 4 12 1 10 5 7 1 11 5 22 1 12 5 23 1 13 6 8 1 14 6 24 1 15 6 25 1 16 7 11 1 17 7 26 1 18 7 27 1 19 8 11 1 20 8 28 1 21 8 29 1 22 9 13 1 23 9 30 1 24 9 31 1 25 10 14 1 26 10 32 1 27 10 33 1 28 11 34 1 29 11 35 1 30 12 16 ar 31 12 17 ar 32 13 15 1 33 13 36 1 34 13 37 1 35 14 15 1 36 14 38 1 37 14 39 1 38 15 40 1 39 16 18 ar 40 16 41 1 41 17 19 ar 42 17 42 1 43 18 20 ar 44 18 43 1 45 19 20 ar 46 19 44 1 47 20 45 1