@MOLECULE 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]-4-piperidinyl}amino)-4-pyrimidinyl]oxy}benzonitrile 64 67 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.6305 -0.6641 -1.6950 O.3 1 UNL1111 -0.2836 2 C 4.4470 -1.2845 -1.4994 C.ar 1 UNL1111 0.4826 3 N 3.6320 -0.8669 -0.5158 N.ar 1 UNL1111 -0.6200 4 N 2.0685 -2.6060 -1.1902 N.ar 1 UNL1111 -0.5530 5 C 2.9217 -2.9746 -2.1611 C.ar 1 UNL1111 0.1986 6 C 2.4483 -1.5618 -0.3777 C.ar 1 UNL1111 0.5503 7 C 4.1503 -2.3462 -2.3744 C.ar 1 UNL1111 -0.4768 8 C 5.9722 0.3473 -0.8003 C.ar 1 UNL1111 0.1559 9 C 6.7472 0.0027 0.3105 C.ar 1 UNL1111 0.0238 10 C 7.2233 1.0377 1.1153 C.ar 1 UNL1111 -0.1482 11 C 6.9085 2.3637 0.8016 C.ar 1 UNL1111 -0.0270 12 C 6.1169 2.6812 -0.3069 C.ar 1 UNL1111 -0.1473 13 C 5.6312 1.6625 -1.1270 C.ar 1 UNL1111 0.0273 14 C 4.7693 1.9463 -2.3023 C.3 1 UNL1111 -0.4411 15 C 7.0327 -1.4211 0.6206 C.3 1 UNL1111 -0.4421 16 C 7.4002 3.4098 1.6307 C.1 1 UNL1111 0.1170 17 N 1.6538 -1.1882 0.6661 N.pl3 1 UNL1111 -0.5003 18 C 0.3047 -1.7553 0.8292 C.3 1 UNL1111 0.1079 19 C -0.1075 -1.6301 2.3076 C.3 1 UNL1111 -0.3100 20 C -1.5205 -2.2135 2.4851 C.3 1 UNL1111 -0.1027 21 N -2.4711 -1.4647 1.6229 N.3 1 UNL1111 -0.4224 22 C -2.1114 -1.6062 0.1881 C.3 1 UNL1111 -0.1136 23 C -0.7175 -1.0053 -0.0474 C.3 1 UNL1111 -0.3124 24 N 7.8004 4.2614 2.3052 N.1 1 UNL1111 -0.2462 25 C -3.8601 -1.9328 1.8662 C.3 1 UNL1111 -0.1545 26 C -4.8400 -1.0267 1.1683 C.ar 1 UNL1111 0.0397 27 C -5.9114 -1.5717 0.4585 C.ar 1 UNL1111 -0.2164 28 C -6.8217 -0.7304 -0.1786 C.ar 1 UNL1111 -0.0644 29 C -6.6681 0.6511 -0.0968 C.ar 1 UNL1111 -0.4045 30 C -5.5916 1.1971 0.6004 C.ar 1 UNL1111 -0.0725 31 C -4.6822 0.3595 1.2391 C.ar 1 UNL1111 -0.1777 32 S -7.8198 1.7147 -0.9068 S.O2 1 UNL1111 2.2363 33 O -7.1378 2.9548 -1.2141 O.2 1 UNL1111 -0.9118 34 O -8.4757 0.9452 -1.9442 O.2 1 UNL1111 -0.9151 35 C -9.0406 2.0739 0.3444 C.3 1 UNL1111 -0.7553 36 H 2.5841 -3.8125 -2.7878 H 1 UNL1111 0.1759 37 H 4.8338 -2.6439 -3.1553 H 1 UNL1111 0.1980 38 H 7.8345 0.8129 1.9887 H 1 UNL1111 0.1692 39 H 5.8752 3.7207 -0.5266 H 1 UNL1111 0.1698 40 H 3.7412 1.5845 -2.1268 H 1 UNL1111 0.1720 41 H 4.7017 3.0165 -2.5387 H 1 UNL1111 0.1608 42 H 5.1339 1.4336 -3.2069 H 1 UNL1111 0.1690 43 H 7.3045 -1.9902 -0.2828 H 1 UNL1111 0.1690 44 H 7.8508 -1.5470 1.3424 H 1 UNL1111 0.1608 45 H 6.1410 -1.9117 1.0477 H 1 UNL1111 0.1709 46 H 1.8889 -0.3444 1.1765 H 1 UNL1111 0.3301 47 H 0.3359 -2.8392 0.5269 H 1 UNL1111 0.1704 48 H 0.6085 -2.1603 2.9611 H 1 UNL1111 0.1504 49 H -0.1036 -0.5689 2.6252 H 1 UNL1111 0.1598 50 H -1.5148 -3.3042 2.2740 H 1 UNL1111 0.1181 51 H -1.8396 -2.0854 3.5430 H 1 UNL1111 0.1374 52 H -2.1404 -2.6609 -0.1603 H 1 UNL1111 0.1224 53 H -2.8622 -1.0468 -0.4148 H 1 UNL1111 0.1480 54 H -0.7236 0.0738 0.1951 H 1 UNL1111 0.1590 55 H -0.4435 -1.0899 -1.1162 H 1 UNL1111 0.1597 56 H -4.0118 -2.9948 1.5695 H 1 UNL1111 0.1286 57 H -4.0553 -1.8835 2.9657 H 1 UNL1111 0.1558 58 H -6.0348 -2.6499 0.3906 H 1 UNL1111 0.1535 59 H -7.6434 -1.1724 -0.7545 H 1 UNL1111 0.1718 60 H -5.4369 2.2812 0.6402 H 1 UNL1111 0.1712 61 H -3.8291 0.7739 1.7800 H 1 UNL1111 0.1757 62 H -8.6370 2.7016 1.1464 H 1 UNL1111 0.1819 63 H -9.8891 2.6235 -0.0868 H 1 UNL1111 0.1916 64 H -9.4547 1.1681 0.7978 H 1 UNL1111 0.1785 @BOND 1 1 2 1 2 1 8 1 3 2 3 ar 4 2 7 ar 5 3 6 ar 6 4 5 ar 7 4 6 ar 8 5 7 ar 9 5 36 1 10 6 17 1 11 7 37 1 12 8 9 ar 13 8 13 ar 14 9 10 ar 15 9 15 1 16 10 11 ar 17 10 38 1 18 11 12 ar 19 11 16 1 20 12 13 ar 21 12 39 1 22 13 14 1 23 14 40 1 24 14 41 1 25 14 42 1 26 15 43 1 27 15 44 1 28 15 45 1 29 16 24 3 30 17 18 1 31 17 46 1 32 18 19 1 33 18 23 1 34 18 47 1 35 19 20 1 36 19 48 1 37 19 49 1 38 20 21 1 39 20 50 1 40 20 51 1 41 21 22 1 42 21 25 1 43 22 23 1 44 22 52 1 45 22 53 1 46 23 54 1 47 23 55 1 48 25 26 1 49 25 56 1 50 25 57 1 51 26 27 ar 52 26 31 ar 53 27 28 ar 54 27 58 1 55 28 29 ar 56 28 59 1 57 29 30 ar 58 29 32 1 59 30 31 ar 60 30 60 1 61 31 61 1 62 32 33 2 63 32 34 2 64 32 35 1 65 35 62 1 66 35 63 1 67 35 64 1