@MOLECULE 2-acetamido-3-{[1-(2-chlorophenyl)-3-oxononyl]sulfanyl}propanoate 55 55 0 0 0 SMALL GASTEIGER @ATOM 1 CL -1.0352 0.0474 -1.7269 Cl 1 UNK1111111111 -0.0742 2 S 1.8216 1.8364 0.6752 S.3 1 UNK1111111111 -0.0147 3 O 0.8160 -1.8790 1.7874 O.2 1 UNK1111111111 -0.4948 4 O 4.2245 -0.8630 0.9259 O.3 1 UNK1111111111 -0.5386 5 O 5.2511 0.8107 -0.1271 O.2 1 UNK1111111111 -0.5032 6 O 1.7185 -1.2713 -2.9534 O.2 0 UNK0 -0.5448 7 N 2.2650 -1.1247 -0.7698 N.am 1 UNK1 -0.6252 8 C 0.2950 0.8121 0.9036 C.3 1 UNK1 -0.1614 9 C -2.0793 -2.4094 2.1392 C.3 1 UNK1 -0.2446 10 C 0.1799 0.3359 2.3539 C.3 1 UNK1 -0.3912 11 C -2.8839 -1.3529 1.3711 C.3 1 UNK1 -0.2852 12 C -1.1143 -1.7678 3.1473 C.3 1 UNK1 -0.3847 13 C -3.4178 -1.9304 0.0547 C.3 1 UNK1 -0.2640 14 C 0.0375 -1.1720 2.3812 C.2 1 UNK1 0.5111 15 C -0.8628 1.6349 0.4482 C.ar 1 UNK1 -0.0368 16 C -4.3410 -0.9238 -0.6448 C.3 1 UNK1 -0.2544 17 C 2.4094 1.3569 -0.9854 C.3 1 UNK1 -0.3543 18 C 3.1440 0.0058 -1.0290 C.3 1 UNK1 0.0419 19 C -1.5137 1.3735 -0.7571 C.ar 1 UNK1 -0.0069 20 C -1.3190 2.7213 1.2047 C.ar 1 UNK1 -0.1351 21 C -4.5725 -1.3183 -2.1028 C.3 1 UNK1 -0.4361 22 C -2.5663 2.1491 -1.2278 C.ar 1 UNK1 -0.1606 23 C -2.3824 3.5013 0.7602 C.ar 1 UNK1 -0.1471 24 C 4.3146 0.0593 -0.0583 C.2 1 UNK1 0.6115 25 C -3.0053 3.2213 -0.4561 C.ar 1 UNK1 -0.1323 26 C 1.5606 -1.6878 -1.8235 C.2 0 UNK0 0.6213 27 C 0.6364 -2.8103 -1.4577 C.3 0 UNK0 -0.5240 28 H 0.4145 -0.0939 0.2509 H 1 UNK1 0.1956 29 H -1.5076 -3.0486 1.4346 H 1 UNK1 0.1550 30 H -2.7690 -3.0959 2.6655 H 1 UNK1 0.1401 31 H 1.0773 0.6022 2.9592 H 1 UNK1 0.1942 32 H -0.6658 0.8291 2.8716 H 1 UNK1 0.1694 33 H -0.7310 -2.5419 3.8452 H 1 UNK1 0.1717 34 H -1.6397 -1.0269 3.7747 H 1 UNK1 0.1591 35 H -3.7183 -0.9821 1.9938 H 1 UNK1 0.1367 36 H -2.2593 -0.4649 1.1567 H 1 UNK1 0.1411 37 H -2.5725 -2.1955 -0.6093 H 1 UNK1 0.1448 38 H -3.9632 -2.8735 0.2400 H 1 UNK1 0.1336 39 H -3.9060 0.0925 -0.5957 H 1 UNK1 0.1368 40 H -5.3052 -0.8592 -0.1079 H 1 UNK1 0.1292 41 H 3.0914 2.1702 -1.3173 H 1 UNK1 0.1900 42 H 1.5745 1.3455 -1.7165 H 1 UNK1 0.1907 43 H 3.5813 -0.1149 -2.0761 H 1 UNK1 0.2043 44 H -0.8286 2.9712 2.1462 H 1 UNK1 0.1621 45 H -5.0087 -2.3197 -2.1826 H 1 UNK1 0.1397 46 H -3.6339 -1.3208 -2.6709 H 1 UNK1 0.1517 47 H -5.2551 -0.6207 -2.5995 H 1 UNK1 0.1373 48 H 2.1363 -1.4266 0.1939 H 1 UNK1 0.3545 49 H -3.0433 1.9257 -2.1837 H 1 UNK1 0.1763 50 H -2.7249 4.3417 1.3626 H 1 UNK1 0.1553 51 H -3.8309 3.8407 -0.8030 H 1 UNK1 0.1576 52 H -0.1832 -2.8842 -2.1895 H 0 UNK0 0.1848 53 H 1.1722 -3.7717 -1.4701 H 0 UNK0 0.1824 54 H 0.1898 -2.6989 -0.4589 H 0 UNK0 0.1786 55 H 4.9732 -0.8211 1.5729 H 1 UNK1 0.3558 @BOND 1 1 19 1 2 2 8 1 3 2 17 1 4 3 14 2 5 4 24 1 6 4 55 1 7 5 24 2 8 6 26 2 9 7 18 1 10 7 26 am 11 7 48 1 12 8 10 1 13 8 15 1 14 8 28 1 15 9 11 1 16 9 12 1 17 9 29 1 18 9 30 1 19 10 14 1 20 10 31 1 21 10 32 1 22 11 13 1 23 11 35 1 24 11 36 1 25 12 14 1 26 12 33 1 27 12 34 1 28 13 16 1 29 13 37 1 30 13 38 1 31 15 19 ar 32 15 20 ar 33 16 21 1 34 16 39 1 35 16 40 1 36 17 18 1 37 17 41 1 38 17 42 1 39 18 24 1 40 18 43 1 41 19 22 ar 42 20 23 ar 43 20 44 1 44 21 45 1 45 21 46 1 46 21 47 1 47 22 25 ar 48 22 49 1 49 23 25 ar 50 23 50 1 51 25 51 1 52 26 27 1 53 27 52 1 54 27 53 1 55 27 54 1