@MOLECULE s-(benzylcarbamothioyl)-l-cysteine 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 S1 -1.3165 0.0830 0.6545 S.3 1 <1> 0.0213 2 S2 -0.2937 -2.5578 -0.5028 S.2 1 <1> -0.4544 3 O1 -3.8634 2.4658 0.4836 O.3 1 <1> -0.5472 4 O2 -4.2453 1.4340 -1.4627 O.2 1 <1> -0.4920 5 N1 1.1926 -0.4369 0.1037 N.am 1 <1> -0.4331 6 N2 -5.3638 -0.5380 0.3723 N.3 1 <1> -0.6343 7 C1 -4.0673 0.1166 0.5979 C.3 1 <1> 0.0058 8 C2 -2.8714 -0.7609 0.1935 C.3 1 <1> -0.3819 9 C3 2.4207 -1.1431 -0.3187 C.3 1 <1> -0.0914 10 C4 3.5893 -0.2123 -0.1552 C.ar 1 <1> -0.0658 11 C5 3.9215 0.6731 -1.1817 C.ar 1 <1> -0.1404 12 C6 4.3358 -0.2298 1.0234 C.ar 1 <1> -0.1405 13 C7 -0.0156 -1.0182 0.0435 C.2 1 <1> 0.2317 14 C8 -4.0804 1.3674 -0.2758 C.2 1 <1> 0.6278 15 C9 5.0007 1.5398 -1.0265 C.ar 1 <1> -0.1479 16 C10 5.4151 0.6380 1.1751 C.ar 1 <1> -0.1483 17 C11 5.7476 1.5233 0.1509 C.ar 1 <1> -0.1328 18 H1 -4.0185 0.4051 1.6878 H 1 <1> 0.1893 19 H2 -2.9335 -1.7495 0.6937 H 1 <1> 0.1898 20 H3 -2.8894 -0.9722 -0.8982 H 1 <1> 0.1962 21 H4 2.3184 -1.4835 -1.3813 H 1 <1> 0.1786 22 H5 2.5508 -2.0761 0.2861 H 1 <1> 0.1748 23 H6 1.3354 0.5145 0.4346 H 1 <1> 0.3224 24 H7 3.3407 0.6867 -2.1037 H 1 <1> 0.1601 25 H8 4.0786 -0.9213 1.8252 H 1 <1> 0.1581 26 H9 -5.4908 -1.3510 0.9521 H 1 <1> 0.2660 27 H10 -5.5199 -0.7757 -0.5972 H 1 <1> 0.2718 28 H11 5.2629 2.2303 -1.8266 H 1 <1> 0.1546 29 H12 5.9996 0.6237 2.0936 H 1 <1> 0.1540 30 H13 6.5915 2.2011 0.2697 H 1 <1> 0.1525 31 H14 -3.8631 3.3116 -0.0302 H 1 <1> 0.3555 @BOND 1 1 8 1 2 1 13 1 3 2 13 2 4 3 14 1 5 3 31 1 6 4 14 2 7 5 9 1 8 5 13 1 9 5 23 1 10 6 7 1 11 6 26 1 12 6 27 1 13 7 8 1 14 7 14 1 15 7 18 1 16 8 19 1 17 8 20 1 18 9 10 1 19 9 21 1 20 9 22 1 21 10 11 ar 22 10 12 ar 23 11 15 ar 24 11 24 1 25 12 16 ar 26 12 25 1 27 15 17 ar 28 15 28 1 29 16 17 ar 30 16 29 1 31 17 30 1