@MOLECULE 4-[(e)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid 37 39 0 0 0 SMALL USER_CHARGES @ATOM 1 S 0.0502 3.4576 0.5059 S.3 1 UNL111111111 0.1766 2 S 2.9447 3.0184 -0.2602 S.2 1 UNL111111111 -0.1912 3 F 5.1290 -3.1642 0.3867 F 1 UNL111111111 -0.2011 4 F 5.8480 -1.1932 0.5899 F 1 UNL111111111 -0.1946 5 F 4.3821 -1.9336 1.9144 F 1 UNL111111111 -0.1994 6 O -0.8460 -0.1782 -0.3436 O.2 1 UNL111111111 -0.3968 7 O -5.9570 -3.0845 0.7420 O.3 1 UNL111111111 -0.5543 8 O -7.1200 -2.0292 -0.8355 O.2 1 UNL111111111 -0.4989 9 N 0.9929 1.1803 -0.3105 N.am 1 UNL111111111 -0.4753 10 C 1.8576 0.1201 -0.7367 C.ar 1 UNL111111111 0.1567 11 C -0.4026 0.9153 -0.1243 C.2 1 UNL111111111 0.5699 12 C -1.1039 2.1267 0.3428 C.2 1 UNL111111111 -0.2783 13 C 2.8403 -0.3618 0.1338 C.ar 1 UNL111111111 -0.1058 14 C 3.6590 -1.4038 -0.2970 C.ar 1 UNL111111111 -0.1211 15 C 1.6830 -0.4298 -2.0112 C.ar 1 UNL111111111 -0.1142 16 C 1.4488 2.4635 -0.0672 C.2 1 UNL111111111 0.1647 17 C -2.4153 2.2174 0.5881 C.2 1 UNL111111111 -0.0264 18 C -3.3613 1.1091 0.4341 C.ar 1 UNL111111111 0.0018 19 C 3.5094 -1.9521 -1.5705 C.ar 1 UNL111111111 -0.0875 20 C 2.5164 -1.4667 -2.4203 C.ar 1 UNL111111111 -0.1413 21 C 4.7281 -1.9157 0.6269 C.3 1 UNL111111111 0.5477 22 C -4.4472 1.2693 -0.4335 C.ar 1 UNL111111111 -0.1731 23 C -3.1962 -0.0785 1.1503 C.ar 1 UNL111111111 -0.1423 24 C -5.1940 -0.9538 0.1260 C.ar 1 UNL111111111 -0.1360 25 C -5.3605 0.2337 -0.5931 C.ar 1 UNL111111111 -0.0764 26 C -4.1157 -1.1140 0.9965 C.ar 1 UNL111111111 -0.0593 27 C -6.1870 -2.0208 -0.0730 C.2 1 UNL111111111 0.6393 28 H 2.9539 0.0789 1.1269 H 1 UNL111111111 0.1848 29 H 0.9002 -0.0528 -2.6705 H 1 UNL111111111 0.1722 30 H -2.8779 3.1601 0.9171 H 1 UNL111111111 0.1753 31 H 4.1590 -2.7584 -1.9183 H 1 UNL111111111 0.1725 32 H 2.3908 -1.9006 -3.4130 H 1 UNL111111111 0.1665 33 H -4.5707 2.1957 -0.9922 H 1 UNL111111111 0.1615 34 H -2.3424 -0.2041 1.8163 H 1 UNL111111111 0.1680 35 H -6.2075 0.3407 -1.2773 H 1 UNL111111111 0.1768 36 H -3.9864 -2.0491 1.5495 H 1 UNL111111111 0.1804 37 H -6.6126 -3.8166 0.6194 H 1 UNL111111111 0.3585 @BOND 1 1 16 1 2 1 12 1 3 2 16 2 4 30 17 1 5 16 9 1 6 33 22 1 7 12 17 2 8 12 11 1 9 17 18 1 10 9 11 am 11 9 10 1 12 22 18 ar 13 22 25 ar 14 11 6 2 15 18 23 ar 16 29 15 1 17 10 15 ar 18 10 13 ar 19 15 20 ar 20 35 25 1 21 28 13 1 22 25 24 ar 23 13 14 ar 24 23 34 1 25 23 26 ar 26 20 32 1 27 20 19 ar 28 4 21 1 29 14 19 ar 30 14 21 1 31 19 31 1 32 24 26 ar 33 24 27 1 34 21 5 1 35 21 3 1 36 26 36 1 37 8 27 2 38 27 7 1 39 7 37 1