@MOLECULE (4s,5r)-n-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-4,5-diphenyl-1-pyrazolidinecarbothioamide 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.7294 1.8502 0.9582 Cl 1 UNL1111111111 -0.0239 2 S 0.0396 1.5429 -2.1226 S.2 1 UNL1111111111 -0.4204 3 F -5.0584 -2.1081 -0.6126 F 1 UNL1111111111 -0.1949 4 F -5.9833 -1.1055 0.9900 F 1 UNL1111111111 -0.1900 5 F -6.1474 -0.3436 -0.9767 F 1 UNL1111111111 -0.1812 6 O 4.6316 0.6717 -2.6243 O.2 1 UNL1111111111 -0.4361 7 N 1.6497 -0.5197 -1.2965 N.am 1 UNL1111111111 -0.2585 8 N 2.5206 -0.1364 -2.3263 N.am 1 UNL1111111111 -0.4402 9 N -0.3644 -0.2629 -0.1869 N.am 1 UNL1111111111 -0.4911 10 C 2.4801 -0.6207 -0.0291 C.3 1 UNL1111111111 0.0296 11 C 3.8935 -0.0735 -0.3919 C.3 1 UNL1111111111 -0.2379 12 C 3.7914 0.2511 -1.8776 C.2 1 UNL1111111111 0.5589 13 C 2.5199 -2.0582 0.4053 C.ar 1 UNL1111111111 -0.0614 14 C 4.2237 1.1300 0.4307 C.ar 1 UNL1111111111 -0.0157 15 C 0.4490 0.2614 -1.1585 C.2 1 UNL1111111111 0.3928 16 C 2.7251 -3.0833 -0.5187 C.ar 1 UNL1111111111 -0.1148 17 C 2.3591 -2.3565 1.7598 C.ar 1 UNL1111111111 -0.1600 18 C 5.1035 1.0057 1.5074 C.ar 1 UNL1111111111 -0.1522 19 C 3.6379 2.3665 0.1490 C.ar 1 UNL1111111111 -0.1559 20 C 2.7647 -4.4072 -0.0883 C.ar 1 UNL1111111111 -0.1491 21 C 2.4031 -3.6818 2.1860 C.ar 1 UNL1111111111 -0.1469 22 C 5.3882 2.1137 2.3027 C.ar 1 UNL1111111111 -0.1391 23 C 3.9271 3.4718 0.9449 C.ar 1 UNL1111111111 -0.1341 24 C 2.6039 -4.7074 1.2632 C.ar 1 UNL1111111111 -0.1366 25 C 4.8007 3.3462 2.0239 C.ar 1 UNL1111111111 -0.1446 26 C -1.6693 0.2654 0.0537 C.ar 1 UNL1111111111 0.1473 27 C -2.7834 -0.5476 -0.1858 C.ar 1 UNL1111111111 -0.1124 28 C -1.8085 1.5632 0.5658 C.ar 1 UNL1111111111 -0.0879 29 C -4.0537 -0.0549 0.1034 C.ar 1 UNL1111111111 -0.1463 30 C -3.0810 2.0526 0.8395 C.ar 1 UNL1111111111 -0.1649 31 C -4.1837 1.2372 0.6075 C.ar 1 UNL1111111111 0.0498 32 C -5.2826 -0.8897 -0.1235 C.3 1 UNL1111111111 0.5481 33 H 2.0306 0.0190 0.7764 H 1 UNL1111111111 0.1641 34 H 4.6686 -0.8722 -0.2620 H 1 UNL1111111111 0.1992 35 H 2.1058 0.1152 -3.2179 H 1 UNL1111111111 0.3551 36 H 2.8429 -2.8464 -1.5791 H 1 UNL1111111111 0.1773 37 H 2.2070 -1.5614 2.4879 H 1 UNL1111111111 0.1535 38 H 5.5717 0.0480 1.7276 H 1 UNL1111111111 0.1540 39 H 2.9628 2.4778 -0.7001 H 1 UNL1111111111 0.1663 40 H -0.1538 -1.1689 0.2350 H 1 UNL1111111111 0.3319 41 H 2.9208 -5.2078 -0.8098 H 1 UNL1111111111 0.1552 42 H 2.2803 -3.9169 3.2417 H 1 UNL1111111111 0.1519 43 H 6.0752 2.0161 3.1413 H 1 UNL1111111111 0.1497 44 H 3.4734 4.4359 0.7188 H 1 UNL1111111111 0.1557 45 H 2.6352 -5.7425 1.5989 H 1 UNL1111111111 0.1509 46 H 5.0283 4.2104 2.6445 H 1 UNL1111111111 0.1494 47 H -2.6396 -1.5470 -0.6049 H 1 UNL1111111111 0.1876 48 H -0.9287 2.1862 0.7466 H 1 UNL1111111111 0.1839 49 H -3.2055 3.0661 1.2281 H 1 UNL1111111111 0.1839 @BOND 1 1 31 1 2 2 15 2 3 3 32 1 4 4 32 1 5 5 32 1 6 6 12 2 7 7 8 1 8 7 10 1 9 7 15 1 10 8 12 am 11 8 35 1 12 9 15 1 13 9 26 1 14 9 40 1 15 10 11 1 16 10 13 1 17 10 33 1 18 11 12 1 19 11 14 1 20 11 34 1 21 13 16 ar 22 13 17 ar 23 14 18 ar 24 14 19 ar 25 16 20 ar 26 16 36 1 27 17 21 ar 28 17 37 1 29 18 22 ar 30 18 38 1 31 19 23 ar 32 19 39 1 33 20 24 ar 34 20 41 1 35 21 24 ar 36 21 42 1 37 22 25 ar 38 22 43 1 39 23 25 ar 40 23 44 1 41 24 45 1 42 25 46 1 43 26 27 ar 44 26 28 ar 45 27 29 ar 46 27 47 1 47 28 30 ar 48 28 48 1 49 29 31 ar 50 29 32 1 51 30 31 ar 52 30 49 1