@MOLECULE n-[(2-aminophenyl)carbamothioyl]glycine 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.0578 -2.3947 -0.8431 S.2 1 UNL1111111111 -0.4918 2 O 3.0319 0.5747 -1.1343 O.3 1 UNL1111111111 -0.5364 3 O 3.8381 1.8215 0.5337 O.2 1 UNL1111111111 -0.4815 4 N -0.0041 -0.0648 0.5296 N.am 1 UNL1111111111 -0.5038 5 N 1.9896 -1.3186 0.3984 N.am 1 UNL1111111111 -0.5157 6 N -0.9083 2.2952 -0.6840 N.pl3 1 UNL1111111111 -0.6123 7 C -1.4099 0.1418 0.3627 C.ar 1 UNL1111111111 0.0346 8 C -1.8395 1.3328 -0.2760 C.ar 1 UNL1111111111 0.2083 9 C -2.3410 -0.7754 0.8487 C.ar 1 UNL1111111111 -0.0756 10 C -3.2172 1.5751 -0.4046 C.ar 1 UNL1111111111 -0.2689 11 C 0.6522 -1.1676 0.0637 C.2 1 UNL1111111111 0.4860 12 C -3.7015 -0.5225 0.7026 C.ar 1 UNL1111111111 -0.2123 13 C -4.1323 0.6488 0.0798 C.ar 1 UNL1111111111 -0.0694 14 C 2.7944 -0.3047 1.0608 C.3 1 UNL1111111111 -0.1645 15 C 3.2846 0.8194 0.1694 C.2 1 UNL1111111111 0.5841 16 H 0.4677 0.6510 1.0738 H 1 UNL1111111111 0.3127 17 H -2.0032 -1.6904 1.3406 H 1 UNL1111111111 0.1743 18 H -3.5630 2.4855 -0.8859 H 1 UNL1111111111 0.1604 19 H -4.4283 -1.2428 1.0702 H 1 UNL1111111111 0.1602 20 H 3.6988 -0.8071 1.5054 H 1 UNL1111111111 0.1946 21 H 2.2601 0.1314 1.9422 H 1 UNL1111111111 0.1820 22 H -5.1999 0.8414 -0.0325 H 1 UNL1111111111 0.1495 23 H 2.5243 -1.9880 -0.1661 H 1 UNL1111111111 0.3447 24 H -1.2422 3.0363 -1.2708 H 1 UNL1111111111 0.2910 25 H 0.0004 1.9560 -0.9382 H 1 UNL1111111111 0.2867 26 H 3.3985 1.2654 -1.7480 H 1 UNL1111111111 0.3630 @BOND 1 1 11 2 2 2 15 1 3 2 26 1 4 3 15 2 5 4 7 1 6 4 11 1 7 4 16 1 8 5 11 1 9 5 14 1 10 5 23 1 11 6 8 1 12 6 24 1 13 6 25 1 14 7 8 ar 15 7 9 ar 16 8 10 ar 17 9 12 ar 18 9 17 1 19 10 13 ar 20 10 18 1 21 12 13 ar 22 12 19 1 23 13 22 1 24 14 15 1 25 14 20 1 26 14 21 1