@MOLECULE 1-[(mesitylsulfanyl)methyl]piperidine 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.1044 0.5283 1.0650 S.3 1 UNL1111111111 -0.0068 2 N 2.4393 0.2731 -0.1413 N.3 1 UNL1111111111 -0.4127 3 C 5.2228 -0.5524 -0.3747 C.3 1 UNL1111111111 -0.2640 4 C 4.8152 0.9205 -0.2645 C.3 1 UNL1111111111 -0.2740 5 C 4.1715 -1.4182 0.3273 C.3 1 UNL1111111111 -0.2739 6 C 3.4113 1.1330 -0.8607 C.3 1 UNL1111111111 -0.1031 7 C 2.7791 -1.1641 -0.2793 C.3 1 UNL1111111111 -0.1029 8 C 1.0619 0.5499 -0.5421 C.3 1 UNL1111111111 -0.1538 9 C -1.5222 0.1757 0.4411 C.ar 1 UNL1111111111 -0.2148 10 C -1.9319 -1.1527 0.2748 C.ar 1 UNL1111111111 0.1085 11 C -2.4024 1.2258 0.1583 C.ar 1 UNL1111111111 0.1116 12 C -4.1053 -0.3794 -0.4676 C.ar 1 UNL1111111111 0.1004 13 C -3.2237 -1.4226 -0.1818 C.ar 1 UNL1111111111 -0.2716 14 C -3.6930 0.9409 -0.2962 C.ar 1 UNL1111111111 -0.2687 15 C -1.0317 -2.3076 0.5647 C.3 1 UNL1111111111 -0.4545 16 C -2.0127 2.6570 0.3238 C.3 1 UNL1111111111 -0.4540 17 C -5.4839 -0.6878 -0.9454 C.3 1 UNL1111111111 -0.4600 18 H 6.2173 -0.7111 0.0796 H 1 UNL1111111111 0.1327 19 H 5.3198 -0.8473 -1.4353 H 1 UNL1111111111 0.1329 20 H 4.8106 1.2296 0.8000 H 1 UNL1111111111 0.1541 21 H 5.5439 1.5701 -0.7783 H 1 UNL1111111111 0.1304 22 H 4.4263 -2.4886 0.2488 H 1 UNL1111111111 0.1299 23 H 4.1474 -1.1768 1.4089 H 1 UNL1111111111 0.1550 24 H 3.1077 2.1934 -0.7160 H 1 UNL1111111111 0.1362 25 H 3.4277 0.9357 -1.9532 H 1 UNL1111111111 0.1112 26 H 2.7552 -1.5071 -1.3353 H 1 UNL1111111111 0.1093 27 H 2.0222 -1.7571 0.2815 H 1 UNL1111111111 0.1431 28 H 0.6206 -0.1823 -1.2443 H 1 UNL1111111111 0.1358 29 H 0.9477 1.5543 -0.9936 H 1 UNL1111111111 0.1479 30 H -3.5484 -2.4509 -0.3140 H 1 UNL1111111111 0.1584 31 H -4.3798 1.7537 -0.5160 H 1 UNL1111111111 0.1581 32 H -1.5443 -3.2747 0.4736 H 1 UNL1111111111 0.1521 33 H -0.1740 -2.3351 -0.1230 H 1 UNL1111111111 0.1595 34 H -0.6264 -2.2618 1.5891 H 1 UNL1111111111 0.1770 35 H -1.1688 2.9288 -0.3272 H 1 UNL1111111111 0.1638 36 H -2.8324 3.3484 0.0879 H 1 UNL1111111111 0.1503 37 H -1.7032 2.8750 1.3594 H 1 UNL1111111111 0.1758 38 H -5.4700 -1.3889 -1.7925 H 1 UNL1111111111 0.1607 39 H -6.0805 -1.1541 -0.1464 H 1 UNL1111111111 0.1640 40 H -6.0292 0.2062 -1.2758 H 1 UNL1111111111 0.1561 @BOND 1 1 8 1 2 1 9 1 3 2 6 1 4 2 7 1 5 2 8 1 6 3 4 1 7 3 5 1 8 3 18 1 9 3 19 1 10 4 6 1 11 4 20 1 12 4 21 1 13 5 7 1 14 5 22 1 15 5 23 1 16 6 24 1 17 6 25 1 18 7 26 1 19 7 27 1 20 8 28 1 21 8 29 1 22 9 10 ar 23 9 11 ar 24 10 13 ar 25 10 15 1 26 11 14 ar 27 11 16 1 28 12 13 ar 29 12 14 ar 30 12 17 1 31 13 30 1 32 14 31 1 33 15 32 1 34 15 33 1 35 15 34 1 36 16 35 1 37 16 36 1 38 16 37 1 39 17 38 1 40 17 39 1 41 17 40 1