@MOLECULE (3s)-n-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl}-3-piperidinecarboxamide 70 73 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.3271 4.2971 -0.8380 C.3 1 UNL1111111111 -0.2167 2 O 5.7217 2.9361 -0.7125 O.3 1 UNL1111111111 -0.2649 3 C 4.7543 2.0449 -0.3895 C.ar 1 UNL1111111111 0.2776 4 C 3.4192 2.3558 -0.1354 C.ar 1 UNL1111111111 -0.4490 5 C 5.2156 0.7185 -0.3178 C.ar 1 UNL1111111111 -0.0696 6 O 6.4928 0.4244 -0.7118 O.3 1 UNL1111111111 -0.2705 7 C 7.3690 0.2264 0.3983 C.3 1 UNL1111111111 -0.2178 8 C 4.3115 -0.2939 0.0434 C.ar 1 UNL1111111111 0.2782 9 O 4.8731 -1.5219 0.1244 O.3 1 UNL1111111111 -0.2793 10 C 3.9987 -2.6076 0.4180 C.3 1 UNL1111111111 -0.2080 11 C 2.9684 -0.0050 0.3009 C.ar 1 UNL1111111111 -0.3914 12 C 2.5346 1.3165 0.2144 C.ar 1 UNL1111111111 0.3298 13 N 1.1903 1.7035 0.4095 N.pl3 1 UNL1111111111 -0.4724 14 C 0.2166 1.0128 1.1050 C.ar 1 UNL1111111111 0.5702 15 N -1.0086 1.6260 1.0547 N.ar 1 UNL1111111111 -0.6939 16 N 0.4632 -0.1683 1.7396 N.ar 1 UNL1111111111 -0.5381 17 C -0.5806 -0.7465 2.3688 C.ar 1 UNL1111111111 0.2184 18 C -1.8526 -0.1843 2.4108 C.ar 1 UNL1111111111 -0.4961 19 C -2.0471 1.0496 1.7328 C.ar 1 UNL1111111111 0.4805 20 N -3.2139 1.7710 1.7742 N.pl3 1 UNL1111111111 -0.4077 21 C -3.3622 3.0345 1.0327 C.3 1 UNL1111111111 -0.0738 22 C -4.4873 1.1346 2.1431 C.3 1 UNL1111111111 -0.0689 23 C -5.4110 0.9745 0.9247 C.3 1 UNL1111111111 -0.3043 24 C -5.6553 2.3367 0.2710 C.3 1 UNL1111111111 -0.2553 25 C -4.3196 2.9585 -0.1752 C.3 1 UNL1111111111 -0.2264 26 C -3.8454 2.1756 -1.3949 C.2 1 UNL1111111111 0.5784 27 O -4.6447 1.8374 -2.2496 O.2 1 UNL1111111111 -0.5576 28 N -2.4975 1.9053 -1.5604 N.am 1 UNL1111111111 -0.5835 29 C -2.1387 0.8301 -2.5023 C.3 1 UNL1111111111 -0.0771 30 C -2.4094 -0.4992 -1.8380 C.ar 1 UNL1111111111 -0.0248 31 C -1.4075 -1.1410 -1.1124 C.ar 1 UNL1111111111 -0.1963 32 C -3.7011 -1.0322 -1.8739 C.ar 1 UNL1111111111 -0.1581 33 C -4.0153 -2.1837 -1.1558 C.ar 1 UNL1111111111 -0.1295 34 C -3.0389 -2.8261 -0.3968 C.ar 1 UNL1111111111 -0.1887 35 C -1.7574 -2.2865 -0.4042 C.ar 1 UNL1111111111 0.1905 36 O -0.8138 -2.8284 0.4656 O.3 1 UNL1111111111 -0.3780 37 C -0.0419 -3.8403 -0.0595 C.3 1 UNL1111111111 0.6816 38 F 0.5852 -3.5082 -1.1785 F 1 UNL1111111111 -0.1941 39 F 0.8776 -4.1616 0.8372 F 1 UNL1111111111 -0.1641 40 F -0.7376 -4.9390 -0.3213 F 1 UNL1111111111 -0.2058 41 H 4.5882 4.4205 -1.6355 H 1 UNL1111111111 0.1358 42 H 4.9617 4.6892 0.1156 H 1 UNL1111111111 0.1346 43 H 6.2731 4.7821 -1.1152 H 1 UNL1111111111 0.1527 44 H 3.0689 3.3775 -0.1899 H 1 UNL1111111111 0.1716 45 H 8.3297 0.0307 -0.0907 H 1 UNL1111111111 0.1433 46 H 7.4232 1.1278 1.0140 H 1 UNL1111111111 0.1275 47 H 7.0507 -0.6373 0.9900 H 1 UNL1111111111 0.1339 48 H 3.2584 -2.7291 -0.3787 H 1 UNL1111111111 0.1430 49 H 4.6891 -3.4597 0.4350 H 1 UNL1111111111 0.1456 50 H 3.5204 -2.4772 1.3947 H 1 UNL1111111111 0.1454 51 H 2.2764 -0.7982 0.5835 H 1 UNL1111111111 0.2172 52 H 0.9333 2.6467 0.1086 H 1 UNL1111111111 0.3309 53 H -0.3546 -1.7078 2.8545 H 1 UNL1111111111 0.1823 54 H -2.6533 -0.6739 2.9438 H 1 UNL1111111111 0.1842 55 H -3.7695 3.7812 1.7605 H 1 UNL1111111111 0.1534 56 H -2.3664 3.4317 0.7240 H 1 UNL1111111111 0.1769 57 H -4.3139 0.1470 2.6236 H 1 UNL1111111111 0.1490 58 H -4.9717 1.7816 2.9137 H 1 UNL1111111111 0.1515 59 H -4.9633 0.2740 0.1897 H 1 UNL1111111111 0.1602 60 H -6.3669 0.5131 1.2324 H 1 UNL1111111111 0.1500 61 H -6.3309 2.2241 -0.6045 H 1 UNL1111111111 0.1698 62 H -6.1757 3.0160 0.9704 H 1 UNL1111111111 0.1404 63 H -4.5020 4.0073 -0.5309 H 1 UNL1111111111 0.1725 64 H -1.8545 2.0079 -0.7790 H 1 UNL1111111111 0.3344 65 H -2.7327 0.9422 -3.4428 H 1 UNL1111111111 0.1800 66 H -1.0669 0.9474 -2.7823 H 1 UNL1111111111 0.1596 67 H -0.3890 -0.7531 -1.0752 H 1 UNL1111111111 0.1885 68 H -4.4754 -0.5247 -2.4592 H 1 UNL1111111111 0.1867 69 H -5.0289 -2.5826 -1.1851 H 1 UNL1111111111 0.1597 70 H -3.2688 -3.7139 0.1877 H 1 UNL1111111111 0.1760 @BOND 1 1 41 1 2 1 42 1 3 1 43 1 4 2 3 1 5 2 1 1 6 3 4 ar 7 4 12 ar 8 4 44 1 9 5 3 ar 10 5 8 ar 11 6 5 1 12 7 6 1 13 7 45 1 14 7 46 1 15 7 47 1 16 8 11 ar 17 9 8 1 18 9 10 1 19 10 48 1 20 10 49 1 21 10 50 1 22 11 12 ar 23 11 51 1 24 12 13 1 25 13 14 1 26 13 52 1 27 14 16 ar 28 15 19 ar 29 15 14 ar 30 16 17 ar 31 17 53 1 32 18 17 ar 33 18 54 1 34 19 18 ar 35 20 21 1 36 20 19 1 37 21 25 1 38 21 55 1 39 21 56 1 40 22 23 1 41 22 20 1 42 22 57 1 43 22 58 1 44 23 24 1 45 23 59 1 46 23 60 1 47 24 25 1 48 24 61 1 49 24 62 1 50 25 26 1 51 25 63 1 52 26 28 am 53 27 26 2 54 28 29 1 55 28 64 1 56 29 30 1 57 29 65 1 58 29 66 1 59 30 32 ar 60 30 31 ar 61 31 35 ar 62 31 67 1 63 32 33 ar 64 32 68 1 65 33 34 ar 66 33 69 1 67 34 70 1 68 35 34 ar 69 35 36 1 70 36 37 1 71 37 38 1 72 37 39 1 73 40 37 1