@MOLECULE isopropyl 2-chloro-5-[(isopropoxycarbothioyl)amino]benzoate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -3.5997 1.9686 0.4805 Cl 1 UNL11111111 -0.0382 2 S 4.6413 0.7093 -0.3386 S.2 1 UNL11111111 -0.4994 3 O -1.6918 -1.4797 0.1198 O.3 1 UNL11111111 -0.4417 4 O 2.2251 -0.2626 0.4116 O.3 1 UNL11111111 -0.4005 5 O -3.0876 -0.5415 -1.3813 O.2 1 UNL11111111 -0.4633 6 N 2.2137 1.7874 -0.4154 N.am 1 UNL11111111 -0.4940 7 C -2.3236 -2.7657 -0.0515 C.3 1 UNL11111111 0.1853 8 C 2.7587 -1.5828 0.7031 C.3 1 UNL11111111 0.2042 9 C -1.3555 0.7551 -0.3131 C.ar 1 UNL11111111 -0.1137 10 C 0.8049 1.8203 -0.2334 C.ar 1 UNL11111111 0.1644 11 C 0.0174 0.7000 -0.5315 C.ar 1 UNL11111111 -0.1239 12 C -1.7145 -3.4252 -1.2816 C.3 1 UNL11111111 -0.4934 13 C -1.9839 -3.4923 1.2450 C.3 1 UNL11111111 -0.4778 14 C -2.1686 -0.4479 -0.6123 C.2 1 UNL11111111 0.6032 15 C -1.9278 1.9232 0.1763 C.ar 1 UNL11111111 0.0249 16 C 0.2133 3.0041 0.2339 C.ar 1 UNL11111111 -0.1700 17 C 1.7321 -2.0864 1.7113 C.3 1 UNL11111111 -0.4869 18 C 2.7569 -2.3805 -0.5897 C.3 1 UNL11111111 -0.4979 19 C -1.1620 3.0545 0.4383 C.ar 1 UNL11111111 -0.1382 20 C 2.9918 0.6986 -0.1021 C.2 1 UNL11111111 0.5261 21 H -3.4206 -2.6100 -0.1649 H 1 UNL11111111 0.1419 22 H 3.7727 -1.4837 1.1489 H 1 UNL11111111 0.1516 23 H 0.4688 -0.2164 -0.9237 H 1 UNL11111111 0.1916 24 H -2.0722 -4.4537 -1.4010 H 1 UNL11111111 0.1558 25 H -1.9810 -2.8751 -2.1956 H 1 UNL11111111 0.1689 26 H -0.6204 -3.4554 -1.2232 H 1 UNL11111111 0.1552 27 H -2.4669 -4.4746 1.2839 H 1 UNL11111111 0.1555 28 H -2.3175 -2.9159 2.1186 H 1 UNL11111111 0.1636 29 H -0.9030 -3.6426 1.3538 H 1 UNL11111111 0.1564 30 H 1.9177 -3.1325 1.9748 H 1 UNL11111111 0.1595 31 H 1.7517 -1.4931 2.6349 H 1 UNL11111111 0.1646 32 H 0.7071 -2.0119 1.3132 H 1 UNL11111111 0.1767 33 H 3.0358 -3.4255 -0.4084 H 1 UNL11111111 0.1615 34 H 3.4748 -1.9794 -1.3196 H 1 UNL11111111 0.1755 35 H 1.7697 -2.3780 -1.0682 H 1 UNL11111111 0.1597 36 H 0.8270 3.8780 0.4525 H 1 UNL11111111 0.1704 37 H 2.6715 2.6553 -0.7010 H 1 UNL11111111 0.3445 38 H -1.6270 3.9703 0.8088 H 1 UNL11111111 0.1778 @BOND 1 25 12 1 2 24 12 1 3 5 14 2 4 34 18 1 5 12 26 1 6 12 7 1 7 35 18 1 8 23 11 1 9 37 6 1 10 14 9 1 11 14 3 1 12 18 33 1 13 18 8 1 14 11 9 ar 15 11 10 ar 16 6 10 1 17 6 20 1 18 2 20 2 19 9 15 ar 20 10 16 ar 21 21 7 1 22 20 4 1 23 7 3 1 24 7 13 1 25 15 19 ar 26 15 1 1 27 16 19 ar 28 16 36 1 29 4 8 1 30 19 38 1 31 8 22 1 32 8 17 1 33 13 27 1 34 13 29 1 35 13 28 1 36 32 17 1 37 17 30 1 38 17 31 1