@MOLECULE 4-[3-(1-piperidinyl)propyl]-6-[3-(trifluoromethyl)phenyl]-2-pyrimidinecarbonitrile 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.2941 1.6173 -0.3193 N.ar 1 UNL1111111111 -0.4157 2 C -1.1605 0.3378 0.1052 C.ar 1 UNL1111111111 0.2423 3 C -0.0020 -0.0887 0.7690 C.ar 1 UNL1111111111 -0.3369 4 C 1.0193 0.8525 0.9797 C.ar 1 UNL1111111111 0.2757 5 N 0.8887 2.1279 0.5512 N.ar 1 UNL1111111111 -0.4240 6 C -0.2605 2.4589 -0.0848 C.ar 1 UNL1111111111 0.3510 7 C -2.2892 -0.5682 -0.1564 C.ar 1 UNL1111111111 -0.0689 8 C 2.3010 0.4991 1.6670 C.3 1 UNL1111111111 -0.2951 9 C 3.3152 0.0144 0.6220 C.3 1 UNL1111111111 -0.2610 10 C 4.6658 -0.2954 1.2976 C.3 1 UNL1111111111 -0.1164 11 N 5.6139 -0.7227 0.2387 N.3 1 UNL1111111111 -0.4298 12 C -3.5997 -0.1176 0.0322 C.ar 1 UNL1111111111 -0.0350 13 C -4.6593 -0.9920 -0.1966 C.ar 1 UNL1111111111 -0.1466 14 C -4.4234 -2.3019 -0.6177 C.ar 1 UNL1111111111 -0.0669 15 C -3.1158 -2.7352 -0.8268 C.ar 1 UNL1111111111 -0.1680 16 C -2.0476 -1.8716 -0.5977 C.ar 1 UNL1111111111 -0.0861 17 C -6.0757 -0.5472 0.0290 C.3 1 UNL1111111111 0.5473 18 F -6.9391 -0.9872 -0.8874 F 1 UNL1111111111 -0.2026 19 F -6.5773 -0.9737 1.1897 F 1 UNL1111111111 -0.2031 20 F -6.2684 0.7700 0.0471 F 1 UNL1111111111 -0.1903 21 C 6.6373 -1.6501 0.7821 C.3 1 UNL1111111111 -0.1100 22 C 7.5255 -2.1624 -0.3676 C.3 1 UNL1111111111 -0.2738 23 C 8.2057 -0.9882 -1.0800 C.3 1 UNL1111111111 -0.2624 24 C 7.1324 -0.0136 -1.5765 C.3 1 UNL1111111111 -0.2746 25 C 6.2555 0.4539 -0.4010 C.3 1 UNL1111111111 -0.1088 26 C -0.3918 3.8116 -0.5495 C.1 1 UNL1111111111 0.1130 27 N -0.4934 4.8989 -0.9257 N.1 1 UNL1111111111 -0.1606 28 H 0.1027 -1.1112 1.1192 H 1 UNL1111111111 0.1908 29 H 2.7092 1.3866 2.2039 H 1 UNL1111111111 0.1803 30 H 2.1352 -0.2757 2.4416 H 1 UNL1111111111 0.1591 31 H 2.9502 -0.8880 0.0955 H 1 UNL1111111111 0.1555 32 H 3.4500 0.7819 -0.1661 H 1 UNL1111111111 0.1593 33 H 5.0246 0.5852 1.8707 H 1 UNL1111111111 0.1197 34 H 4.5280 -1.1175 2.0318 H 1 UNL1111111111 0.1324 35 H -3.7654 0.9176 0.3520 H 1 UNL1111111111 0.1904 36 H -5.2514 -2.9943 -0.7864 H 1 UNL1111111111 0.1681 37 H -2.9287 -3.7517 -1.1713 H 1 UNL1111111111 0.1625 38 H -1.0257 -2.2115 -0.7723 H 1 UNL1111111111 0.1601 39 H 7.2664 -1.1809 1.5675 H 1 UNL1111111111 0.1111 40 H 6.1093 -2.5099 1.2489 H 1 UNL1111111111 0.1309 41 H 8.2740 -2.8720 0.0242 H 1 UNL1111111111 0.1313 42 H 6.9011 -2.7264 -1.0883 H 1 UNL1111111111 0.1512 43 H 8.9049 -0.4748 -0.3951 H 1 UNL1111111111 0.1340 44 H 8.8161 -1.3528 -1.9256 H 1 UNL1111111111 0.1345 45 H 7.5921 0.8586 -2.0727 H 1 UNL1111111111 0.1336 46 H 6.4959 -0.5097 -2.3353 H 1 UNL1111111111 0.1518 47 H 5.4511 1.1217 -0.7807 H 1 UNL1111111111 0.1395 48 H 6.8644 1.0482 0.3131 H 1 UNL1111111111 0.1113 @BOND 1 1 2 ar 2 1 6 ar 3 2 3 ar 4 2 7 1 5 3 4 ar 6 3 28 1 7 4 5 ar 8 4 8 1 9 5 6 ar 10 6 26 1 11 7 12 ar 12 7 16 ar 13 8 9 1 14 8 29 1 15 8 30 1 16 9 10 1 17 9 31 1 18 9 32 1 19 10 11 1 20 10 33 1 21 10 34 1 22 11 21 1 23 11 25 1 24 12 13 ar 25 12 35 1 26 13 14 ar 27 13 17 1 28 14 15 ar 29 14 36 1 30 15 16 ar 31 15 37 1 32 16 38 1 33 17 18 1 34 17 19 1 35 17 20 1 36 21 22 1 37 21 39 1 38 21 40 1 39 22 23 1 40 22 41 1 41 22 42 1 42 23 24 1 43 23 43 1 44 23 44 1 45 24 25 1 46 24 45 1 47 24 46 1 48 25 47 1 49 25 48 1 50 26 27 3