@MOLECULE n-[(2s)-2-benzyl-3-sulfanylpropanoyl]glycine 32 32 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.9847 0.8648 -3.7704 S.3 1 UNL11 -0.1965 2 C 2.1417 -0.1940 -2.2751 C.3 1 UNL11 -0.3065 3 C 0.9337 0.0152 -1.3624 C.3 1 UNL11 -0.1680 4 C 1.2931 -0.5668 0.0048 C.2 1 UNL11 0.5772 5 O 2.1787 -1.3802 0.1732 O.2 1 UNL11 -0.5411 6 C -0.3176 -0.7095 -1.8936 C.3 1 UNL11 -0.2983 7 C -1.5359 -0.3489 -1.0998 C.ar 1 UNL11 -0.0049 8 C -2.0399 0.9534 -1.1471 C.ar 1 UNL11 -0.1834 9 C -2.1670 -1.3083 -0.3059 C.ar 1 UNL11 -0.1727 10 C -3.1577 1.2960 -0.3912 C.ar 1 UNL11 -0.1289 11 C -3.2869 -0.9627 0.4476 C.ar 1 UNL11 -0.1371 12 C -3.7811 0.3394 0.4090 C.ar 1 UNL11 -0.1563 13 N 0.5590 -0.0932 1.0711 N.am 1 UNL11 -0.5918 14 C 0.8221 -0.6066 2.4109 C.3 1 UNL11 -0.1334 15 C 0.5418 0.4896 3.4095 C.2 1 UNL11 0.6202 16 O -0.0965 1.4953 3.2534 O.2 1 UNL11 -0.4951 17 O 1.1040 0.1781 4.6027 O.3 1 UNL11 -0.5545 18 H 3.1251 0.5349 -4.3885 H 1 UNL11 0.1583 19 H 3.0795 0.0571 -1.7383 H 1 UNL11 0.1740 20 H 2.2371 -1.2599 -2.5583 H 1 UNL11 0.1710 21 H 0.7158 1.1094 -1.2503 H 1 UNL11 0.1751 22 H -0.4849 -0.4522 -2.9634 H 1 UNL11 0.1775 23 H -0.1441 -1.8062 -1.8953 H 1 UNL11 0.1623 24 H -1.5633 1.7001 -1.7807 H 1 UNL11 0.1585 25 H -1.7846 -2.3268 -0.2717 H 1 UNL11 0.1552 26 H -3.5456 2.3129 -0.4252 H 1 UNL11 0.1526 27 H -3.7764 -1.7123 1.0665 H 1 UNL11 0.1496 28 H -4.6527 0.6097 1.0015 H 1 UNL11 0.1515 29 H -0.2305 0.5335 0.9635 H 1 UNL11 0.3376 30 H 1.8839 -0.9691 2.4928 H 1 UNL11 0.2125 31 H 0.1808 -1.4954 2.6380 H 1 UNL11 0.1755 32 H 0.9466 0.8564 5.3068 H 1 UNL11 0.3600 @BOND 1 1 2 1 2 1 18 1 3 2 3 1 4 2 19 1 5 2 20 1 6 3 4 1 7 3 6 1 8 3 21 1 9 4 5 2 10 4 13 am 11 6 7 1 12 6 22 1 13 6 23 1 14 7 8 ar 15 7 9 ar 16 8 10 ar 17 8 24 1 18 9 11 ar 19 9 25 1 20 10 12 ar 21 10 26 1 22 11 12 ar 23 11 27 1 24 12 28 1 25 13 14 1 26 13 29 1 27 14 15 1 28 14 30 1 29 14 31 1 30 15 16 2 31 15 17 1 32 17 32 1