@MOLECULE n-(2,6-diethylphenyl)-1-methyl-8-({4-[(1-methyl-4-piperidinyl)carbamoyl]-2-(trifluoromethoxy)phenyl}amino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide 88 93 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.9062 -2.5850 -0.0266 C.3 1 UNL1111111111 -0.2564 2 C 2.5971 -2.9740 0.6935 C.3 1 UNL1111111111 -0.2400 3 C 4.0938 -1.1268 -0.0177 C.ar 1 UNL1111111111 0.0191 4 C 3.0067 -0.2235 0.0428 C.ar 1 UNL1111111111 -0.1078 5 N 3.5399 1.0529 -0.0129 N.ar 1 UNL1111111111 0.0355 6 N 4.8699 1.0200 -0.0883 N.ar 1 UNL1111111111 -0.2340 7 C 5.2423 -0.3080 -0.0999 C.ar 1 UNL1111111111 -0.1223 8 C 6.6374 -0.7749 -0.1953 C.2 1 UNL1111111111 0.6174 9 N 7.6067 0.1969 -0.0323 N.am 1 UNL1111111111 -0.5672 10 O 6.9055 -1.9451 -0.3789 O.2 1 UNL1111111111 -0.5149 11 C 2.8224 2.3138 0.0368 C.3 1 UNL1111111111 -0.2403 12 C 1.6456 -0.6861 0.1269 C.ar 1 UNL1111111111 0.2973 13 C 1.4479 -2.0652 0.3997 C.ar 1 UNL1111111111 -0.2165 14 C 0.1232 -2.5023 0.4367 C.ar 1 UNL1111111111 0.1294 15 N -0.9229 -1.6739 0.2351 N.ar 1 UNL1111111111 -0.4952 16 C -0.6458 -0.3659 -0.0104 C.ar 1 UNL1111111111 0.5109 17 N 0.6245 0.1628 -0.0717 N.ar 1 UNL1111111111 -0.5337 18 N -1.6358 0.5736 -0.2515 N.pl3 1 UNL1111111111 -0.4456 19 C -3.0126 0.4169 -0.0815 C.ar 1 UNL1111111111 0.2240 20 C -3.8009 1.5954 -0.1164 C.ar 1 UNL1111111111 0.0581 21 C -5.1820 1.5755 -0.0167 C.ar 1 UNL1111111111 -0.0749 22 C -5.8174 0.3431 0.1365 C.ar 1 UNL1111111111 -0.1670 23 C -5.0675 -0.8311 0.2064 C.ar 1 UNL1111111111 -0.0706 24 C -3.6823 -0.8027 0.0903 C.ar 1 UNL1111111111 -0.2178 25 O -3.1425 2.7875 -0.3850 O.3 1 UNL1111111111 -0.3665 26 C -7.2991 0.3484 0.2746 C.2 1 UNL1111111111 0.5876 27 N -7.9785 -0.6496 -0.3931 N.am 1 UNL1111111111 -0.6179 28 O -7.8915 1.1906 0.9200 O.2 1 UNL1111111111 -0.5212 29 C -9.4418 -0.7468 -0.3023 C.3 1 UNL1111111111 0.1059 30 C -9.8296 -1.9680 0.5570 C.3 1 UNL1111111111 -0.3183 31 C -11.3607 -2.1019 0.5944 C.3 1 UNL1111111111 -0.1129 32 N -11.8698 -2.2720 -0.7898 N.3 1 UNL1111111111 -0.4053 33 C -11.5611 -1.0768 -1.6146 C.3 1 UNL1111111111 -0.1115 34 C -10.0353 -0.9095 -1.7156 C.3 1 UNL1111111111 -0.3189 35 C -13.3266 -2.5264 -0.7762 C.3 1 UNL1111111111 -0.2825 36 C -2.9478 3.6139 0.7116 C.3 1 UNL1111111111 0.6628 37 F -2.6273 2.9692 1.8228 F 1 UNL1111111111 -0.1876 38 F -1.9497 4.4344 0.4210 F 1 UNL1111111111 -0.1676 39 F -4.0117 4.3557 0.9732 F 1 UNL1111111111 -0.1804 40 C 8.9956 -0.1033 -0.1780 C.ar 1 UNL1111111111 0.1219 41 C 9.6793 -0.8063 0.8262 C.ar 1 UNL1111111111 0.0237 42 C 11.0460 -1.0509 0.6640 C.ar 1 UNL1111111111 -0.1889 43 C 11.7185 -0.6057 -0.4684 C.ar 1 UNL1111111111 -0.1361 44 C 11.0345 0.0976 -1.4567 C.ar 1 UNL1111111111 -0.1879 45 C 9.6708 0.3544 -1.3240 C.ar 1 UNL1111111111 -0.0074 46 C 8.9580 1.1183 -2.3986 C.3 1 UNL1111111111 -0.2606 47 C 8.9794 2.6173 -2.0881 C.3 1 UNL1111111111 -0.4258 48 C 9.0019 -1.2992 2.0692 C.3 1 UNL1111111111 -0.2556 49 C 8.7949 -2.8142 1.9913 C.3 1 UNL1111111111 -0.4332 50 H 4.7774 -3.1045 0.4373 H 1 UNL1111111111 0.1884 51 H 3.8941 -2.9522 -1.0798 H 1 UNL1111111111 0.1744 52 H 2.3449 -4.0238 0.4370 H 1 UNL1111111111 0.1543 53 H 2.7777 -2.9686 1.7940 H 1 UNL1111111111 0.1611 54 H 2.4373 2.4985 1.0597 H 1 UNL1111111111 0.1718 55 H 3.4767 3.1579 -0.2539 H 1 UNL1111111111 0.1791 56 H 1.9492 2.2793 -0.6495 H 1 UNL1111111111 0.1872 57 H 7.3500 1.1779 0.0046 H 1 UNL1111111111 0.3312 58 H -0.1440 -3.5497 0.6335 H 1 UNL1111111111 0.1819 59 H -1.3005 1.5211 -0.4685 H 1 UNL1111111111 0.3467 60 H -3.1203 -1.7422 0.1370 H 1 UNL1111111111 0.2125 61 H -5.7665 2.5005 -0.0482 H 1 UNL1111111111 0.1942 62 H -5.5643 -1.7906 0.3662 H 1 UNL1111111111 0.1599 63 H -7.5044 -1.3426 -0.9444 H 1 UNL1111111111 0.3105 64 H -9.8392 0.1920 0.1736 H 1 UNL1111111111 0.1697 65 H -9.3865 -2.8906 0.1380 H 1 UNL1111111111 0.1537 66 H -9.4306 -1.8611 1.5812 H 1 UNL1111111111 0.1497 67 H -9.7884 -0.0353 -2.3434 H 1 UNL1111111111 0.1482 68 H -9.6012 -1.7945 -2.2185 H 1 UNL1111111111 0.1543 69 H -11.6389 -3.0077 1.1769 H 1 UNL1111111111 0.1390 70 H -11.8095 -1.2299 1.1165 H 1 UNL1111111111 0.1183 71 H -11.9827 -1.2431 -2.6304 H 1 UNL1111111111 0.1394 72 H -12.0233 -0.1473 -1.2187 H 1 UNL1111111111 0.1176 73 H -13.9296 -1.7154 -0.3421 H 1 UNL1111111111 0.1204 74 H -13.6695 -2.7044 -1.8089 H 1 UNL1111111111 0.1459 75 H -13.5232 -3.4518 -0.2093 H 1 UNL1111111111 0.1463 76 H 11.5855 -1.5997 1.4338 H 1 UNL1111111111 0.1555 77 H 9.6064 -1.0412 2.9625 H 1 UNL1111111111 0.1408 78 H 8.0243 -0.7971 2.2229 H 1 UNL1111111111 0.1547 79 H 12.7818 -0.8071 -0.5835 H 1 UNL1111111111 0.1494 80 H 11.5671 0.4462 -2.3389 H 1 UNL1111111111 0.1539 81 H 9.4272 0.9296 -3.3869 H 1 UNL1111111111 0.1480 82 H 7.9116 0.7646 -2.5130 H 1 UNL1111111111 0.1565 83 H 8.4634 3.1900 -2.8665 H 1 UNL1111111111 0.1431 84 H 8.4903 2.8412 -1.1340 H 1 UNL1111111111 0.1417 85 H 10.0069 2.9941 -2.0226 H 1 UNL1111111111 0.1452 86 H 8.2171 -3.0818 1.0915 H 1 UNL1111111111 0.1773 87 H 9.7467 -3.3505 1.9330 H 1 UNL1111111111 0.1380 88 H 8.2446 -3.1871 2.8595 H 1 UNL1111111111 0.1370 @BOND 1 1 2 1 2 1 3 1 3 1 50 1 4 1 51 1 5 2 13 1 6 2 52 1 7 2 53 1 8 3 4 ar 9 3 7 ar 10 4 5 ar 11 4 12 1 12 5 6 ar 13 5 11 1 14 6 7 ar 15 7 8 1 16 8 9 am 17 8 10 2 18 9 40 1 19 9 57 1 20 11 54 1 21 11 55 1 22 11 56 1 23 12 13 ar 24 12 17 ar 25 13 14 ar 26 14 15 ar 27 14 58 1 28 15 16 ar 29 16 17 ar 30 16 18 1 31 18 19 1 32 18 59 1 33 19 20 ar 34 19 24 ar 35 20 21 ar 36 20 25 1 37 21 22 ar 38 21 61 1 39 22 23 ar 40 22 26 1 41 23 24 ar 42 23 62 1 43 24 60 1 44 25 36 1 45 26 27 am 46 26 28 2 47 27 29 1 48 27 63 1 49 29 30 1 50 29 34 1 51 29 64 1 52 30 31 1 53 30 65 1 54 30 66 1 55 31 32 1 56 31 69 1 57 31 70 1 58 32 33 1 59 32 35 1 60 33 34 1 61 33 71 1 62 33 72 1 63 34 67 1 64 34 68 1 65 35 73 1 66 35 74 1 67 35 75 1 68 36 37 1 69 36 38 1 70 36 39 1 71 40 41 ar 72 40 45 ar 73 41 42 ar 74 41 48 1 75 42 43 ar 76 42 76 1 77 43 44 ar 78 43 79 1 79 44 45 ar 80 44 80 1 81 45 46 1 82 46 47 1 83 46 81 1 84 46 82 1 85 47 83 1 86 47 84 1 87 47 85 1 88 48 49 1 89 48 77 1 90 48 78 1 91 49 86 1 92 49 87 1 93 49 88 1