@MOLECULE 1-isopropylamino-3-(2-methylthiophenoxy)propan-2-ol 38 38 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.0124 -2.1653 0.6190 S.3 1 UNL1111111111 0.0491 2 O -0.5249 0.7362 0.1269 O.3 1 UNL1111111111 -0.3618 3 O 0.8036 3.1668 0.6711 O.3 1 UNL1111111111 -0.5535 4 N 2.8979 0.3982 -0.5057 N.3 1 UNL1111111111 -0.5692 5 C 2.1786 1.2049 0.5009 C.3 1 UNL1111111111 -0.1685 6 C 1.2640 2.2026 -0.2457 C.3 1 UNL1111111111 0.1394 7 C 3.5336 -0.8093 0.0700 C.3 1 UNL1111111111 0.1005 8 C 0.0674 1.5123 -0.9184 C.3 1 UNL1111111111 -0.0995 9 C 4.7205 -0.4905 0.9971 C.3 1 UNL1111111111 -0.5034 10 C 4.0022 -1.6859 -1.1033 C.3 1 UNL1111111111 -0.4635 11 C -1.8442 0.4226 -0.0264 C.ar 1 UNL1111111111 0.2390 12 C -2.1946 -0.9108 0.2219 C.ar 1 UNL1111111111 -0.1860 13 C -2.8109 1.3924 -0.3009 C.ar 1 UNL1111111111 -0.2696 14 C -3.5444 -1.2594 0.2073 C.ar 1 UNL1111111111 -0.0871 15 C -4.1518 1.0221 -0.3137 C.ar 1 UNL1111111111 -0.0854 16 C -4.5188 -0.2984 -0.0573 C.ar 1 UNL1111111111 -0.2054 17 C 0.1959 -2.0753 -0.7393 C.3 1 UNL1111111111 -0.5002 18 H 1.5653 0.5353 1.1458 H 1 UNL1111111111 0.1659 19 H 2.8521 1.7701 1.1804 H 1 UNL1111111111 0.1317 20 H 1.8338 2.8100 -0.9857 H 1 UNL1111111111 0.1470 21 H 2.7503 -1.3631 0.6530 H 1 UNL1111111111 0.1418 22 H 3.5795 0.9642 -1.0075 H 1 UNL1111111111 0.2564 23 H 0.3945 0.8055 -1.7037 H 1 UNL1111111111 0.1518 24 H -0.6362 2.2479 -1.3386 H 1 UNL1111111111 0.1393 25 H 5.5041 0.0671 0.4757 H 1 UNL1111111111 0.1468 26 H 5.1748 -1.4098 1.3813 H 1 UNL1111111111 0.1527 27 H 4.4060 0.1038 1.8610 H 1 UNL1111111111 0.1498 28 H 3.1769 -1.8678 -1.8040 H 1 UNL1111111111 0.1575 29 H 4.8097 -1.2121 -1.6697 H 1 UNL1111111111 0.1451 30 H 4.3648 -2.6552 -0.7491 H 1 UNL1111111111 0.1452 31 H 0.1739 2.7608 1.3060 H 1 UNL1111111111 0.3294 32 H -2.5224 2.4253 -0.4779 H 1 UNL1111111111 0.1695 33 H -3.8535 -2.2904 0.3977 H 1 UNL1111111111 0.1638 34 H -4.9180 1.7693 -0.5197 H 1 UNL1111111111 0.1531 35 H -5.5689 -0.5816 -0.0652 H 1 UNL1111111111 0.1573 36 H 0.8745 -2.9305 -0.6459 H 1 UNL1111111111 0.1677 37 H 0.8006 -1.1554 -0.6902 H 1 UNL1111111111 0.1941 38 H -0.2816 -2.1184 -1.7212 H 1 UNL1111111111 0.1593 @BOND 1 1 12 1 2 1 17 1 3 2 8 1 4 2 11 1 5 3 6 1 6 3 31 1 7 4 5 1 8 4 7 1 9 4 22 1 10 5 6 1 11 5 18 1 12 5 19 1 13 6 8 1 14 6 20 1 15 7 9 1 16 7 10 1 17 7 21 1 18 8 23 1 19 8 24 1 20 9 25 1 21 9 26 1 22 9 27 1 23 10 28 1 24 10 29 1 25 10 30 1 26 11 12 ar 27 11 13 ar 28 12 14 ar 29 13 15 ar 30 13 32 1 31 14 16 ar 32 14 33 1 33 15 16 ar 34 15 34 1 35 16 35 1 36 17 36 1 37 17 37 1 38 17 38 1