@MOLECULE 3-[({4-[(4-nitrophenyl)amino]phenyl}carbamothioyl)sulfanyl]propanoic acid 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.7527 -0.9083 1.2813 S.3 1 UNL111111111 0.0086 2 S -3.0216 -0.2888 -1.1709 S.2 1 UNL111111111 -0.4049 3 O -7.1882 3.2392 -0.4866 O.3 1 UNL111111111 -0.5619 4 O 8.3170 1.7576 -0.4069 O.2 1 UNL111111111 -0.4147 5 O 7.3391 2.3445 1.4168 O.2 1 UNL111111111 -0.4162 6 O -8.2082 1.2801 -0.7939 O.2 1 UNL111111111 -0.5075 7 N 3.0558 -1.6238 -0.9261 N.pl3 1 UNL111111111 -0.5097 8 N -2.1757 -1.3481 1.1044 N.am 1 UNL111111111 -0.4564 9 N 7.3831 1.7007 0.3788 N.pl3 1 UNL111111111 0.6442 10 C 1.7525 -1.5250 -0.3904 C.ar 1 UNL111111111 0.2072 11 C 4.1103 -0.7981 -0.5680 C.ar 1 UNL111111111 0.3086 12 C -0.8398 -1.3990 0.5809 C.ar 1 UNL111111111 0.1006 13 C 1.0129 -2.7075 -0.2251 C.ar 1 UNL111111111 -0.2182 14 C 1.1841 -0.2793 -0.0827 C.ar 1 UNL111111111 -0.2136 15 C -0.2877 -2.6426 0.2575 C.ar 1 UNL111111111 -0.1195 16 C -0.1114 -0.2166 0.4117 C.ar 1 UNL111111111 -0.0938 17 C 5.2340 -0.7472 -1.4272 C.ar 1 UNL111111111 -0.3141 18 C 4.1076 -0.0530 0.6308 C.ar 1 UNL111111111 -0.3080 19 C 6.2739 0.8318 0.0634 C.ar 1 UNL111111111 -0.1808 20 C 6.3044 0.0694 -1.1125 C.ar 1 UNL111111111 0.0047 21 C 5.1831 0.7600 0.9398 C.ar 1 UNL111111111 0.0012 22 C -6.0158 -0.1649 0.1939 C.3 1 UNL111111111 -0.2891 23 C -5.9932 1.3560 0.2249 C.3 1 UNL111111111 -0.3447 24 C -3.1989 -0.8550 0.3668 C.2 1 UNL111111111 0.2267 25 C -7.2448 1.8849 -0.4046 C.2 1 UNL111111111 0.6477 26 H 3.2034 -2.3154 -1.6518 H 1 UNL111111111 0.3227 27 H 1.4536 -3.6717 -0.4723 H 1 UNL111111111 0.1694 28 H 1.7431 0.6414 -0.2576 H 1 UNL111111111 0.1818 29 H -0.8761 -3.5535 0.3725 H 1 UNL111111111 0.1688 30 H -0.5620 0.7495 0.6493 H 1 UNL111111111 0.1770 31 H 5.2501 -1.3358 -2.3410 H 1 UNL111111111 0.1702 32 H 3.2748 -0.1361 1.3271 H 1 UNL111111111 0.1799 33 H -2.2992 -1.7535 2.0288 H 1 UNL111111111 0.3245 34 H 7.1743 0.1295 -1.7782 H 1 UNL111111111 0.1833 35 H 5.1893 1.3456 1.8673 H 1 UNL111111111 0.1831 36 H -5.9270 -0.5397 -0.8508 H 1 UNL111111111 0.1977 37 H -6.9940 -0.5584 0.5568 H 1 UNL111111111 0.1894 38 H -5.1040 1.7676 -0.3145 H 1 UNL111111111 0.2068 39 H -5.9046 1.7632 1.2584 H 1 UNL111111111 0.1901 40 H -7.9876 3.6463 -0.9041 H 1 UNL111111111 0.3589 @BOND 1 1 22 1 2 1 24 1 3 2 24 2 4 3 25 1 5 3 40 1 6 4 9 2 7 5 9 2 8 6 25 2 9 7 10 1 10 7 11 1 11 7 26 1 12 8 12 1 13 8 24 1 14 8 33 1 15 9 19 1 16 10 13 ar 17 10 14 ar 18 11 17 ar 19 11 18 ar 20 12 15 ar 21 12 16 ar 22 13 15 ar 23 13 27 1 24 14 16 ar 25 14 28 1 26 15 29 1 27 16 30 1 28 17 20 ar 29 17 31 1 30 18 21 ar 31 18 32 1 32 19 20 ar 33 19 21 ar 34 20 34 1 35 21 35 1 36 22 23 1 37 22 36 1 38 22 37 1 39 23 25 1 40 23 38 1 41 23 39 1