@MOLECULE s-(1h-indol-3-ylmethyl) allylcarbamothioate 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.9829 0.5471 0.6945 S.3 1 UNL11 -0.0729 2 O -2.8753 0.9257 -1.1523 O.2 1 UNL11 -0.5223 3 N 3.3969 1.8209 0.2207 N.ar 1 UNL11 -0.3751 4 N -3.6594 0.3381 0.9014 N.am 1 UNL11 -0.5835 5 C 2.2925 -0.1305 -0.2208 C.ar 1 UNL11 -0.0666 6 C 1.3862 0.9704 -0.4211 C.ar 1 UNL11 -0.1267 7 C 3.5450 0.4332 0.1795 C.ar 1 UNL11 0.0983 8 C 2.0867 2.1363 -0.1420 C.ar 1 UNL11 -0.0185 9 C -0.0103 0.8625 -0.8438 C.3 1 UNL11 -0.2602 10 C 2.1740 -1.5194 -0.3344 C.ar 1 UNL11 -0.1020 11 C 4.6635 -0.3632 0.4582 C.ar 1 UNL11 -0.2146 12 C 3.2783 -2.3034 -0.0558 C.ar 1 UNL11 -0.1944 13 C 4.5085 -1.7310 0.3349 C.ar 1 UNL11 -0.1115 14 C -2.6669 0.6199 -0.0017 C.2 1 UNL11 0.5356 15 C -5.0549 0.2657 0.4444 C.3 1 UNL11 -0.0819 16 C -5.5441 -1.1556 0.4191 C.2 1 UNL11 -0.1572 17 C -6.3456 -1.6154 -0.5397 C.2 1 UNL11 -0.3024 18 H 1.7485 3.1561 -0.1753 H 1 UNL11 0.1703 19 H -0.1736 0.0330 -1.5639 H 1 UNL11 0.1791 20 H -0.3902 1.7757 -1.3481 H 1 UNL11 0.1818 21 H 4.1055 2.4696 0.4693 H 1 UNL11 0.3141 22 H 1.2262 -1.9625 -0.6332 H 1 UNL11 0.1594 23 H 5.6069 0.0791 0.7565 H 1 UNL11 0.1567 24 H 3.2104 -3.3864 -0.1362 H 1 UNL11 0.1526 25 H 5.3498 -2.3914 0.5416 H 1 UNL11 0.1494 26 H -3.4736 0.0121 1.8364 H 1 UNL11 0.3191 27 H -5.1421 0.7456 -0.5638 H 1 UNL11 0.1804 28 H -5.6888 0.8747 1.1343 H 1 UNL11 0.1485 29 H -5.2028 -1.7809 1.2420 H 1 UNL11 0.1466 30 H -6.7221 -2.6269 -0.5660 H 1 UNL11 0.1478 31 H -6.6871 -1.0245 -1.3766 H 1 UNL11 0.1501 @BOND 1 1 9 1 2 1 14 1 3 2 14 2 4 3 7 ar 5 3 8 ar 6 3 21 1 7 4 14 am 8 4 15 1 9 4 26 1 10 5 6 ar 11 5 7 ar 12 5 10 ar 13 6 8 ar 14 6 9 1 15 7 11 ar 16 8 18 1 17 9 19 1 18 9 20 1 19 10 12 ar 20 10 22 1 21 11 13 ar 22 11 23 1 23 12 13 ar 24 12 24 1 25 13 25 1 26 15 16 1 27 15 27 1 28 15 28 1 29 16 17 2 30 16 29 1 31 17 30 1 32 17 31 1