@MOLECULE (2s)-2-amino-4-methyl-1-pentanethiol 23 22 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.4618 -0.7391 -0.1596 S.3 1 UNL1111111111 -0.1916 2 N 0.2769 2.2403 -0.3506 N.3 1 UNL1111111111 -0.6611 3 C 0.7220 0.1402 0.9738 C.3 1 UNL1111111111 -0.3588 4 C 1.9060 -0.6922 0.4435 C.3 1 UNL1111111111 -0.0576 5 C -0.1142 0.8270 -0.1347 C.3 1 UNL1111111111 0.0715 6 C 2.8579 0.1451 -0.4172 C.3 1 UNL1111111111 -0.4577 7 C 1.4209 -1.9170 -0.3395 C.3 1 UNL1111111111 -0.4575 8 C -1.6137 0.8370 0.2145 C.3 1 UNL1111111111 -0.3421 9 H 0.0845 -0.5143 1.5948 H 1 UNL1111111111 0.1433 10 H 1.1043 0.9036 1.6777 H 1 UNL1111111111 0.1420 11 H 2.4785 -1.0570 1.3356 H 1 UNL1111111111 0.1313 12 H 0.0457 0.3012 -1.1147 H 1 UNL1111111111 0.1586 13 H 2.3924 0.4498 -1.3611 H 1 UNL1111111111 0.1477 14 H 3.1859 1.0473 0.1085 H 1 UNL1111111111 0.1403 15 H 3.7571 -0.4269 -0.6758 H 1 UNL1111111111 0.1489 16 H 2.2654 -2.5285 -0.6781 H 1 UNL1111111111 0.1481 17 H 0.8506 -1.6341 -1.2318 H 1 UNL1111111111 0.1512 18 H 0.7793 -2.5576 0.2739 H 1 UNL1111111111 0.1407 19 H -2.1260 1.6115 -0.4017 H 1 UNL1111111111 0.1920 20 H -1.7791 1.1246 1.2659 H 1 UNL1111111111 0.1556 21 H 1.2103 2.3188 -0.7206 H 1 UNL1111111111 0.2546 22 H 0.2154 2.7885 0.4913 H 1 UNL1111111111 0.2476 23 H -1.7202 -1.5873 0.5624 H 1 UNL1111111111 0.1531 @BOND 1 1 8 1 2 1 23 1 3 2 5 1 4 2 21 1 5 2 22 1 6 3 4 1 7 3 5 1 8 3 9 1 9 3 10 1 10 4 6 1 11 4 7 1 12 4 11 1 13 5 8 1 14 5 12 1 15 6 13 1 16 6 14 1 17 6 15 1 18 7 16 1 19 7 17 1 20 7 18 1 21 8 19 1 22 8 20 1