@MOLECULE s-benzylthio thioacetate 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.5048 0.6878 -0.5946 S.3 1 UNL1111111111 0.0921 2 S 2.4167 0.9923 -0.1177 S.3 1 UNL1111111111 -0.1773 3 O 2.6648 -1.6425 0.1408 O.2 1 UNL1111111111 -0.4086 4 C -1.8046 -0.0048 0.4821 C.ar 1 UNL1111111111 -0.0026 5 C -0.4002 0.2012 0.9290 C.3 1 UNL1111111111 -0.3579 6 C -2.2231 -1.2637 0.0418 C.ar 1 UNL1111111111 -0.1498 7 C -2.7108 1.0592 0.5015 C.ar 1 UNL1111111111 -0.1575 8 C -3.5375 -1.4532 -0.3776 C.ar 1 UNL1111111111 -0.1404 9 C -4.0243 0.8657 0.0809 C.ar 1 UNL1111111111 -0.1420 10 C -4.4391 -0.3902 -0.3592 C.ar 1 UNL1111111111 -0.1479 11 C 3.2711 -0.6163 0.0556 C.2 1 UNL1111111111 0.4482 12 C 4.7521 -0.4881 0.1085 C.3 1 UNL1111111111 -0.5371 13 H -0.3174 0.9794 1.7116 H 1 UNL1111111111 0.1726 14 H 0.0363 -0.7203 1.3663 H 1 UNL1111111111 0.1808 15 H -1.5212 -2.0970 0.0216 H 1 UNL1111111111 0.1607 16 H -2.3921 2.0425 0.8431 H 1 UNL1111111111 0.1542 17 H -3.8602 -2.4342 -0.7217 H 1 UNL1111111111 0.1512 18 H -4.7266 1.6969 0.0954 H 1 UNL1111111111 0.1496 19 H -5.4651 -0.5405 -0.6881 H 1 UNL1111111111 0.1493 20 H 5.1693 -0.0833 -0.8282 H 1 UNL1111111111 0.1889 21 H 5.0939 0.1690 0.9242 H 1 UNL1111111111 0.1872 22 H 5.2264 -1.4720 0.2703 H 1 UNL1111111111 0.1864 @BOND 1 1 2 1 2 1 5 1 3 2 11 1 4 3 11 2 5 4 5 1 6 4 6 ar 7 4 7 ar 8 5 13 1 9 5 14 1 10 6 8 ar 11 6 15 1 12 7 9 ar 13 7 16 1 14 8 10 ar 15 8 17 1 16 9 10 ar 17 9 18 1 18 10 19 1 19 11 12 1 20 12 20 1 21 12 21 1 22 12 22 1