@MOLECULE 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]-2-{[2-(methylsulfanyl)ethyl]amino}benzamide 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 C 7.0571 -3.4284 -1.3921 C.3 1 UNL1111111111 -0.5024 2 C -4.3800 3.4109 -1.8564 C.3 1 UNL1111111111 -0.4703 3 C -3.4263 1.2906 -2.7886 C.3 1 UNL1111111111 -0.4728 4 N 3.9850 4.2520 1.6002 N.am 1 UNL1111111111 -0.6765 5 O 4.8964 2.8060 0.1704 O.2 1 UNL1111111111 -0.5952 6 O -5.3514 -1.0737 -0.2613 O.2 1 UNL1111111111 -0.4188 7 F -4.1893 -2.7329 1.3570 F 1 UNL1111111111 -0.1611 8 F -2.2431 -3.3106 1.9355 F 1 UNL1111111111 -0.1846 9 F -2.8360 -3.4998 -0.0819 F 1 UNL1111111111 -0.1865 10 C 0.1761 2.4410 0.8820 C.ar 1 UNL1111111111 -0.3487 11 C 1.3954 3.0965 0.9342 C.ar 1 UNL1111111111 0.0206 12 C 1.3330 0.3797 0.2757 C.ar 1 UNL1111111111 -0.3438 13 C 3.7843 -1.0051 -0.3608 C.3 1 UNL1111111111 -0.0537 14 C 5.2428 -1.4010 -0.6009 C.3 1 UNL1111111111 -0.3666 15 C -5.0013 1.2164 -0.8218 C.3 1 UNL1111111111 -0.4077 16 C -2.6474 2.1603 -0.5496 C.3 1 UNL1111111111 -0.3211 17 N -1.1589 -0.9143 0.8775 N.ar 1 UNL1111111111 -0.1919 18 N 3.7379 0.4216 -0.0072 N.pl3 1 UNL1111111111 -0.4978 19 S 5.2830 -3.1712 -1.0927 S.3 1 UNL1111111111 0.0208 20 C 3.8864 3.1494 0.7746 C.2 1 UNL1111111111 0.6344 21 C -4.5827 -0.1472 -0.3126 C.2 1 UNL1111111111 0.5008 22 C 0.1708 1.0734 0.5535 C.ar 1 UNL1111111111 0.2920 23 C 2.5824 1.0607 0.3054 C.ar 1 UNL1111111111 0.3539 24 C 2.5995 2.4399 0.6783 C.ar 1 UNL1111111111 -0.3376 25 C -2.3041 0.8440 0.0138 C.ar 1 UNL1111111111 0.1399 26 C -2.4376 -1.3047 0.6736 C.ar 1 UNL1111111111 -0.0029 27 C -3.1974 -0.2322 0.1252 C.ar 1 UNL1111111111 -0.2802 28 N -1.0816 0.3925 0.4862 N.ar 1 UNL1111111111 -0.1178 29 C -3.8673 2.0071 -1.5073 C.3 1 UNL1111111111 0.1447 30 C -2.9179 -2.6863 0.9712 C.3 1 UNL1111111111 0.5620 31 H 7.6601 -3.2456 -0.4967 H 1 UNL1111111111 0.1650 32 H 7.2039 -4.4767 -1.6857 H 1 UNL1111111111 0.1751 33 H 7.4371 -2.7988 -2.2032 H 1 UNL1111111111 0.1651 34 H -3.6013 4.0150 -2.3351 H 1 UNL1111111111 0.1497 35 H -5.2233 3.3626 -2.5557 H 1 UNL1111111111 0.1547 36 H -4.7237 3.9549 -0.9706 H 1 UNL1111111111 0.1468 37 H -3.0297 0.2889 -2.5783 H 1 UNL1111111111 0.1602 38 H -4.2638 1.1633 -3.4849 H 1 UNL1111111111 0.1567 39 H -2.6454 1.8471 -3.3173 H 1 UNL1111111111 0.1491 40 H 4.8634 4.7281 1.6766 H 1 UNL1111111111 0.3161 41 H 3.2480 4.5627 2.1894 H 1 UNL1111111111 0.3034 42 H -0.7418 2.9648 1.1197 H 1 UNL1111111111 0.1709 43 H 1.4005 4.1623 1.1783 H 1 UNL1111111111 0.1479 44 H 1.2896 -0.6841 0.0409 H 1 UNL1111111111 0.2011 45 H 3.1616 -1.1833 -1.2733 H 1 UNL1111111111 0.1574 46 H 3.3362 -1.6042 0.4725 H 1 UNL1111111111 0.1636 47 H 5.6987 -0.7785 -1.3934 H 1 UNL1111111111 0.1656 48 H 5.8498 -1.2478 0.3109 H 1 UNL1111111111 0.1659 49 H -5.8548 1.0978 -1.5221 H 1 UNL1111111111 0.1811 50 H -5.4087 1.7916 0.0356 H 1 UNL1111111111 0.1739 51 H -2.9016 2.8757 0.2636 H 1 UNL1111111111 0.1705 52 H -1.7975 2.6192 -1.0976 H 1 UNL1111111111 0.1736 53 H 4.6026 0.9662 -0.0828 H 1 UNL1111111111 0.3556 @BOND 1 1 19 1 2 1 31 1 3 1 32 1 4 1 33 1 5 2 34 1 6 2 35 1 7 2 36 1 8 3 37 1 9 3 38 1 10 3 39 1 11 4 20 am 12 4 40 1 13 4 41 1 14 8 30 1 15 9 30 1 16 10 22 ar 17 10 42 1 18 11 10 ar 19 11 43 1 20 12 22 ar 21 12 44 1 22 13 45 1 23 13 46 1 24 14 13 1 25 14 47 1 26 14 48 1 27 15 49 1 28 15 50 1 29 16 29 1 30 16 51 1 31 16 52 1 32 17 28 ar 33 17 26 ar 34 18 13 1 35 18 23 1 36 18 53 1 37 19 14 1 38 20 5 2 39 20 24 1 40 21 6 2 41 21 15 1 42 22 28 1 43 23 12 ar 44 24 11 ar 45 24 23 ar 46 25 16 1 47 25 27 ar 48 26 27 ar 49 27 21 1 50 28 25 ar 51 29 2 1 52 29 3 1 53 29 15 1 54 30 7 1 55 30 26 1