@MOLECULE (3S,4S)-3-amino-5-benzylsulfanyl-4-hydroxy-pentanoic acid 34 34 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.9471 1.8318 0.3770 N.3 1 UNL111111111 -0.6577 2 C -2.9110 0.3752 0.1934 C.3 1 UNL111111111 0.0209 3 C -1.5523 -0.1319 -0.4020 C.3 1 UNL111111111 0.1048 4 O -1.7100 -1.4715 -0.7963 O.3 1 UNL111111111 -0.5376 5 C -4.0579 -0.0220 -0.7574 C.3 1 UNL111111111 -0.3607 6 C -5.3257 -0.1785 0.0171 C.2 1 UNL111111111 0.6673 7 O -5.4881 -0.6466 1.1136 O.2 1 UNL111111111 -0.5224 8 O -6.3872 0.2536 -0.7146 O.3 1 UNL111111111 -0.5639 9 C -0.4291 0.0221 0.6217 C.3 1 UNL111111111 -0.4010 10 S 1.1898 -0.2692 -0.2024 S.3 1 UNL111111111 0.0231 11 C 2.3559 0.3111 1.1018 C.3 1 UNL111111111 -0.3425 12 C 3.7154 0.1806 0.5088 C.ar 1 UNL111111111 0.0071 13 C 4.2970 1.2642 -0.1553 C.ar 1 UNL111111111 -0.1602 14 C 5.5660 1.1400 -0.7154 C.ar 1 UNL111111111 -0.1403 15 C 6.2604 -0.0643 -0.6149 C.ar 1 UNL111111111 -0.1508 16 C 5.6829 -1.1455 0.0487 C.ar 1 UNL111111111 -0.1391 17 C 4.4141 -1.0256 0.6106 C.ar 1 UNL111111111 -0.1583 18 H -2.3958 2.1506 1.1525 H 1 UNL111111111 0.2577 19 H -3.0756 -0.1079 1.1948 H 1 UNL111111111 0.1660 20 H -4.1803 0.7257 -1.5715 H 1 UNL111111111 0.1891 21 H -3.8281 -0.9840 -1.2771 H 1 UNL111111111 0.2043 22 H -7.2507 0.1756 -0.2414 H 1 UNL111111111 0.3530 23 H -0.4360 1.0297 1.0704 H 1 UNL111111111 0.1567 24 H -0.5557 -0.6951 1.4528 H 1 UNL111111111 0.1625 25 H 2.1277 1.3529 1.3925 H 1 UNL111111111 0.1605 26 H 2.2428 -0.3002 2.0167 H 1 UNL111111111 0.1645 27 H 3.7570 2.2051 -0.2419 H 1 UNL111111111 0.1532 28 H 6.0145 1.9852 -1.2341 H 1 UNL111111111 0.1500 29 H 7.2509 -0.1605 -1.0542 H 1 UNL111111111 0.1503 30 H 6.2232 -2.0873 0.1268 H 1 UNL111111111 0.1507 31 H 3.9661 -1.8755 1.1225 H 1 UNL111111111 0.1556 32 H -2.7077 2.3455 -0.4528 H 1 UNL111111111 0.2582 33 H -1.3364 0.3766 -1.3713 H 1 UNL111111111 0.1587 34 H -1.7420 -2.0781 -0.0280 H 1 UNL111111111 0.3202 @BOND 1 1 2 1 2 1 18 1 3 1 32 1 4 2 3 1 5 2 5 1 6 2 19 1 7 3 4 1 8 3 9 1 9 3 33 1 10 4 34 1 11 5 6 1 12 5 20 1 13 5 21 1 14 6 7 2 15 6 8 1 16 8 22 1 17 9 10 1 18 9 23 1 19 9 24 1 20 10 11 1 21 11 12 1 22 11 25 1 23 11 26 1 24 12 13 ar 25 12 17 ar 26 13 14 ar 27 13 27 1 28 14 15 ar 29 14 28 1 30 15 16 ar 31 15 29 1 32 16 17 ar 33 16 30 1 34 17 31 1