@MOLECULE 1-{3-[(trifluoromethyl)sulfanyl]phenyl}-2-propanamine 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.1565 -0.6304 1.0412 S.3 1 UNL1111111111 0.0876 2 F -2.4539 0.4077 -1.4382 F 1 UNL1111111111 -0.2017 3 F -1.7255 1.8063 -0.0457 F 1 UNL1111111111 -0.2044 4 F -3.7580 1.2375 0.0016 F 1 UNL1111111111 -0.1868 5 N 4.7515 1.5016 -0.0860 N.3 1 UNL1111111111 -0.6614 6 C 3.0551 -0.1477 0.7716 C.3 1 UNL1111111111 -0.3658 7 C 3.4105 0.9287 -0.3006 C.3 1 UNL1111111111 0.1069 8 C 1.8202 -0.8817 0.3653 C.ar 1 UNL1111111111 0.0097 9 C 2.3789 2.0619 -0.2929 C.3 1 UNL1111111111 -0.4651 10 C 0.5729 -0.4758 0.8463 C.ar 1 UNL1111111111 -0.1272 11 C 1.9023 -1.9574 -0.5235 C.ar 1 UNL1111111111 -0.1382 12 C -0.5767 -1.1355 0.4185 C.ar 1 UNL1111111111 -0.1384 13 C 0.7475 -2.6180 -0.9351 C.ar 1 UNL1111111111 -0.1509 14 C -0.5006 -2.2058 -0.4704 C.ar 1 UNL1111111111 -0.1082 15 C -2.5315 0.7535 -0.1564 C.3 1 UNL1111111111 0.4659 16 H 2.9327 0.3352 1.7597 H 1 UNL1111111111 0.1562 17 H 3.9049 -0.8473 0.8927 H 1 UNL1111111111 0.1520 18 H 3.4213 0.4398 -1.3111 H 1 UNL1111111111 0.1431 19 H 2.6792 2.8584 -0.9890 H 1 UNL1111111111 0.1684 20 H 2.2663 2.5173 0.6952 H 1 UNL1111111111 0.1457 21 H 1.3937 1.7030 -0.6123 H 1 UNL1111111111 0.1547 22 H 0.5177 0.3622 1.5451 H 1 UNL1111111111 0.1716 23 H 2.8737 -2.2766 -0.9006 H 1 UNL1111111111 0.1583 24 H 5.4739 0.8038 -0.0598 H 1 UNL1111111111 0.2498 25 H 4.8047 2.0704 0.7408 H 1 UNL1111111111 0.2519 26 H 0.8186 -3.4551 -1.6288 H 1 UNL1111111111 0.1588 27 H -1.3982 -2.7238 -0.8140 H 1 UNL1111111111 0.1676 @BOND 1 1 12 1 2 1 15 1 3 2 15 1 4 3 15 1 5 4 15 1 6 5 7 1 7 5 24 1 8 5 25 1 9 6 7 1 10 6 8 1 11 6 16 1 12 6 17 1 13 7 9 1 14 7 18 1 15 8 10 ar 16 8 11 ar 17 9 19 1 18 9 20 1 19 9 21 1 20 10 12 ar 21 10 22 1 22 11 13 ar 23 11 23 1 24 12 14 ar 25 13 14 ar 26 13 26 1 27 14 27 1