@MOLECULE s-benzyl (2s)-2-(benzoylamino)-3-(4-hydroxyphenyl)propanethioate 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.9563 -0.5738 1.9523 S.3 1 UNL1111111111 -0.0817 2 O -1.7441 -1.9872 0.0719 O.2 1 UNL1111111111 -0.4130 3 O 2.1195 -0.8994 2.0639 O.2 1 UNL1111111111 -0.5119 4 O 4.3457 3.7868 -0.1565 O.3 1 UNL1111111111 -0.4743 5 N 0.7355 -0.9564 0.2725 N.am 1 UNL1111111111 -0.5948 6 C -0.3351 -0.2577 0.9743 C.3 1 UNL1111111111 0.0198 7 C -0.5824 1.1417 0.3493 C.3 1 UNL1111111111 -0.3035 8 C 0.7113 1.8876 0.2352 C.ar 1 UNL1111111111 -0.0567 9 C -1.6114 -1.0851 0.8466 C.2 1 UNL1111111111 0.3879 10 C 1.2589 2.1491 -1.0243 C.ar 1 UNL1111111111 -0.1062 11 C 1.3883 2.2900 1.3902 C.ar 1 UNL1111111111 -0.0724 12 C 1.9595 -1.1549 0.8894 C.2 1 UNL1111111111 0.5905 13 C -4.4223 -1.2981 1.1181 C.3 1 UNL1111111111 -0.3215 14 C 2.4852 2.7924 -1.1415 C.ar 1 UNL1111111111 -0.2554 15 C 2.6169 2.9359 1.2988 C.ar 1 UNL1111111111 -0.2971 16 C 3.0258 -1.6758 -0.0077 C.ar 1 UNL1111111111 -0.1300 17 C 3.1481 3.1721 0.0295 C.ar 1 UNL1111111111 0.2842 18 C -4.7297 -0.5092 -0.1044 C.ar 1 UNL1111111111 -0.0063 19 C 3.6444 -0.8009 -0.8995 C.ar 1 UNL1111111111 -0.1225 20 C 3.4190 -3.0085 0.0812 C.ar 1 UNL1111111111 -0.1024 21 C -4.2403 -0.9266 -1.3454 C.ar 1 UNL1111111111 -0.1625 22 C -5.4926 0.6586 -0.0191 C.ar 1 UNL1111111111 -0.1589 23 C 4.6695 -1.2703 -1.7170 C.ar 1 UNL1111111111 -0.1498 24 C 4.4425 -3.4731 -0.7434 C.ar 1 UNL1111111111 -0.1541 25 C -4.4973 -0.1722 -2.4874 C.ar 1 UNL1111111111 -0.1439 26 C -5.7492 1.4090 -1.1635 C.ar 1 UNL1111111111 -0.1451 27 C 5.0650 -2.6055 -1.6398 C.ar 1 UNL1111111111 -0.1241 28 C -5.2495 0.9975 -2.3982 C.ar 1 UNL1111111111 -0.1507 29 H -0.0443 -0.1424 2.0612 H 1 UNL1111111111 0.2034 30 H -1.0744 1.0408 -0.6391 H 1 UNL1111111111 0.1578 31 H -1.3000 1.7182 0.9707 H 1 UNL1111111111 0.1708 32 H 0.5859 -1.1741 -0.7006 H 1 UNL1111111111 0.3254 33 H 0.7255 1.8448 -1.9243 H 1 UNL1111111111 0.1530 34 H 0.9629 2.0813 2.3728 H 1 UNL1111111111 0.1598 35 H -4.2370 -2.3694 0.8855 H 1 UNL1111111111 0.1854 36 H -5.2555 -1.2871 1.8511 H 1 UNL1111111111 0.1761 37 H 2.9298 3.0060 -2.1094 H 1 UNL1111111111 0.1744 38 H 3.1515 3.2346 2.1939 H 1 UNL1111111111 0.1629 39 H 3.3351 0.2454 -0.9486 H 1 UNL1111111111 0.1661 40 H 2.9351 -3.6778 0.7926 H 1 UNL1111111111 0.1626 41 H -3.6508 -1.8430 -1.4203 H 1 UNL1111111111 0.1694 42 H -5.8835 0.9883 0.9416 H 1 UNL1111111111 0.1529 43 H 5.1613 -0.5930 -2.4127 H 1 UNL1111111111 0.1551 44 H 4.7569 -4.5132 -0.6835 H 1 UNL1111111111 0.1530 45 H -4.1109 -0.4994 -3.4512 H 1 UNL1111111111 0.1524 46 H -6.3407 2.3203 -1.0935 H 1 UNL1111111111 0.1497 47 H 5.8657 -2.9711 -2.2806 H 1 UNL1111111111 0.1476 48 H -5.4494 1.5865 -3.2907 H 1 UNL1111111111 0.1502 49 H 4.7900 4.0030 0.6986 H 1 UNL1111111111 0.3283 @BOND 1 1 9 1 2 1 13 1 3 2 9 2 4 3 12 2 5 4 17 1 6 4 49 1 7 5 6 1 8 5 12 am 9 5 32 1 10 6 7 1 11 6 9 1 12 6 29 1 13 7 8 1 14 7 30 1 15 7 31 1 16 8 10 ar 17 8 11 ar 18 10 14 ar 19 10 33 1 20 11 15 ar 21 11 34 1 22 12 16 1 23 13 18 1 24 13 35 1 25 13 36 1 26 14 17 ar 27 14 37 1 28 15 17 ar 29 15 38 1 30 16 19 ar 31 16 20 ar 32 18 21 ar 33 18 22 ar 34 19 23 ar 35 19 39 1 36 20 24 ar 37 20 40 1 38 21 25 ar 39 21 41 1 40 22 26 ar 41 22 42 1 42 23 27 ar 43 23 43 1 44 24 27 ar 45 24 44 1 46 25 28 ar 47 25 45 1 48 26 28 ar 49 26 46 1 50 27 47 1 51 28 48 1