@MOLECULE 1-[(2-hydroxyphenyl)thioxomethyl]piperidine 30 31 0 0 0 SMALL USER_CHARGES @ATOM 1 S1 0.2040 2.4285 0.6334 S.2 1 HQOX111111111 -0.4639 2 C1 0.1632 0.9360 -0.1074 C.2 1 HQOX111111111 0.3092 3 C2 -1.1539 0.2754 -0.1804 C.ar 1 HQOX111111111 -0.1819 4 C3 -1.5366 -0.6654 0.7864 C.ar 1 HQOX111111111 0.3034 5 O1 -0.5792 -1.0110 1.6844 O.3 1 HQOX111111111 -0.4716 6 C4 -2.8095 -1.2384 0.7989 C.ar 1 HQOX111111111 -0.3036 7 C5 -3.7147 -0.8626 -0.1897 C.ar 1 HQOX111111111 -0.0558 8 C6 -3.3529 0.0658 -1.1656 C.ar 1 HQOX111111111 -0.2199 9 C7 -2.0821 0.6383 -1.1567 C.ar 1 HQOX111111111 -0.0493 10 N1 1.2166 0.3517 -0.7072 N.am 1 HQOX111111111 -0.3263 11 C8 2.5990 0.8391 -0.5436 C.3 1 HQOX111111111 -0.0814 12 C9 3.3601 -0.0610 0.4461 C.3 1 HQOX111111111 -0.2923 13 C10 3.3388 -1.5183 -0.0300 C.3 1 HQOX111111111 -0.2607 14 C11 1.8947 -1.9830 -0.2517 C.3 1 HQOX111111111 -0.2946 15 C12 1.1684 -1.0311 -1.2196 C.3 1 HQOX111111111 -0.0929 16 H1 -0.9508 -1.5150 2.4501 H 1 HQOX111111111 0.3334 17 H4 -3.0874 -1.9569 1.5622 H 1 HQOX111111111 0.1636 18 H5 -4.7147 -1.2962 -0.1986 H 1 HQOX111111111 0.1488 19 H6 -4.0688 0.3552 -1.9315 H 1 HQOX111111111 0.1593 20 H7 -1.8123 1.3836 -1.9085 H 1 HQOX111111111 0.1662 21 H81 2.6156 1.8993 -0.1963 H 1 HQOX111111111 0.1824 22 H82 3.0884 0.8297 -1.5436 H 1 HQOX111111111 0.1419 23 H91 2.8994 0.0193 1.4518 H 1 HQOX111111111 0.1625 24 H92 4.3981 0.2993 0.5579 H 1 HQOX111111111 0.1440 25 H101 3.8353 -2.1677 0.7148 H 1 HQOX111111111 0.1388 26 H102 3.9235 -1.6258 -0.9623 H 1 HQOX111111111 0.1354 27 H111 1.3536 -2.0125 0.7169 H 1 HQOX111111111 0.1647 28 H112 1.8709 -3.0129 -0.6484 H 1 HQOX111111111 0.1416 29 H121 0.1185 -1.3609 -1.3745 H 1 HQOX111111111 0.1518 30 H122 1.6553 -1.0464 -2.2216 H 1 HQOX111111111 0.1472 @BOND 1 1 2 2 2 2 3 1 3 2 10 1 4 3 4 ar 5 3 9 ar 6 4 5 1 7 4 6 ar 8 5 16 1 9 6 7 ar 10 6 17 1 11 7 8 ar 12 7 18 1 13 8 9 ar 14 8 19 1 15 9 20 1 16 10 11 1 17 10 15 1 18 11 12 1 19 11 21 1 20 11 22 1 21 12 13 1 22 12 23 1 23 12 24 1 24 13 14 1 25 13 25 1 26 13 26 1 27 14 15 1 28 14 27 1 29 14 28 1 30 15 29 1 31 15 30 1