@MOLECULE 4-cycloheptyl-6-[3-(1-piperidinyl)propyl]-2-pyrimidinecarbonitrile 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.2891 1.9189 -0.3813 N.ar 1 UNL1111111111 -0.4345 2 C -2.3600 0.6105 -0.0460 C.ar 1 UNL1111111111 0.2439 3 C -1.2877 -0.0281 0.5954 C.ar 1 UNL1111111111 -0.3497 4 C -0.1457 0.7305 0.8870 C.ar 1 UNL1111111111 0.2726 5 N -0.0803 2.0435 0.5623 N.ar 1 UNL1111111111 -0.4326 6 C -1.1520 2.5827 -0.0630 C.ar 1 UNL1111111111 0.3471 7 C 1.0548 0.1457 1.5647 C.3 1 UNL1111111111 -0.2925 8 C 2.1417 -0.1507 0.5218 C.3 1 UNL1111111111 -0.2595 9 C 3.4158 -0.6652 1.2201 C.3 1 UNL1111111111 -0.1172 10 C -3.6546 -0.0891 -0.3809 C.3 1 UNL1111111111 -0.1200 11 C -3.3650 -1.2822 -1.3056 C.3 1 UNL1111111111 -0.2710 12 C -4.6400 -2.0525 -1.6751 C.3 1 UNL1111111111 -0.2526 13 C -4.3449 -0.4942 0.9360 C.3 1 UNL1111111111 -0.2637 14 C -5.1260 -2.9448 -0.5247 C.3 1 UNL1111111111 -0.2621 15 C -5.8344 -0.7866 0.7148 C.3 1 UNL1111111111 -0.2534 16 C -6.1356 -2.2601 0.4079 C.3 1 UNL1111111111 -0.2694 17 C -1.0790 3.9750 -0.4103 C.1 1 UNL1111111111 0.1185 18 N 4.4650 -0.8595 0.1873 N.3 1 UNL1111111111 -0.4267 19 N -1.0176 5.0946 -0.6878 N.1 1 UNL1111111111 -0.1746 20 C 5.4440 -1.8891 0.6179 C.3 1 UNL1111111111 -0.1107 21 C 6.4603 -2.1399 -0.5123 C.3 1 UNL1111111111 -0.2739 22 C 7.1875 -0.8401 -0.8731 C.3 1 UNL1111111111 -0.2631 23 C 6.1528 0.2206 -1.2627 C.3 1 UNL1111111111 -0.2751 24 C 5.1456 0.4249 -0.1169 C.3 1 UNL1111111111 -0.1090 25 H -1.3440 -1.0793 0.8592 H 1 UNL1111111111 0.1880 26 H 1.4487 0.8634 2.3209 H 1 UNL1111111111 0.1765 27 H 0.7892 -0.7733 2.1229 H 1 UNL1111111111 0.1554 28 H 1.7961 -0.8979 -0.2175 H 1 UNL1111111111 0.1559 29 H 2.3662 0.7631 -0.0649 H 1 UNL1111111111 0.1621 30 H 3.7271 0.0346 2.0241 H 1 UNL1111111111 0.1175 31 H 3.1936 -1.6366 1.7109 H 1 UNL1111111111 0.1317 32 H -4.3249 0.6295 -0.9294 H 1 UNL1111111111 0.1780 33 H -2.8781 -0.9120 -2.2309 H 1 UNL1111111111 0.1434 34 H -2.6362 -1.9701 -0.8375 H 1 UNL1111111111 0.1385 35 H -5.4382 -1.3522 -1.9832 H 1 UNL1111111111 0.1449 36 H -4.4360 -2.6787 -2.5656 H 1 UNL1111111111 0.1307 37 H -3.8421 -1.3692 1.3846 H 1 UNL1111111111 0.1437 38 H -4.2410 0.3269 1.6734 H 1 UNL1111111111 0.1398 39 H -5.5909 -3.8607 -0.9389 H 1 UNL1111111111 0.1270 40 H -4.2588 -3.3002 0.0641 H 1 UNL1111111111 0.1354 41 H -6.4057 -0.4849 1.6150 H 1 UNL1111111111 0.1320 42 H -6.2260 -0.1486 -0.1017 H 1 UNL1111111111 0.1414 43 H -7.1488 -2.3304 -0.0341 H 1 UNL1111111111 0.1311 44 H -6.1858 -2.8294 1.3565 H 1 UNL1111111111 0.1299 45 H 5.9768 -1.6102 1.5512 H 1 UNL1111111111 0.1097 46 H 4.8848 -2.8280 0.8229 H 1 UNL1111111111 0.1311 47 H 7.1783 -2.9193 -0.2053 H 1 UNL1111111111 0.1300 48 H 5.9286 -2.5313 -1.4020 H 1 UNL1111111111 0.1516 49 H 7.7956 -0.4895 -0.0193 H 1 UNL1111111111 0.1332 50 H 7.8946 -1.0129 -1.7042 H 1 UNL1111111111 0.1334 51 H 6.6437 1.1787 -1.5061 H 1 UNL1111111111 0.1326 52 H 5.6119 -0.0983 -2.1755 H 1 UNL1111111111 0.1522 53 H 4.3699 1.1580 -0.4325 H 1 UNL1111111111 0.1421 54 H 5.6608 0.8551 0.7680 H 1 UNL1111111111 0.1101 @BOND 1 1 2 ar 2 1 6 ar 3 2 3 ar 4 2 10 1 5 3 4 ar 6 3 25 1 7 4 5 ar 8 4 7 1 9 5 6 ar 10 6 17 1 11 7 8 1 12 7 26 1 13 7 27 1 14 8 9 1 15 8 28 1 16 8 29 1 17 9 18 1 18 9 30 1 19 9 31 1 20 10 11 1 21 10 13 1 22 10 32 1 23 11 12 1 24 11 33 1 25 11 34 1 26 12 14 1 27 12 35 1 28 12 36 1 29 13 15 1 30 13 37 1 31 13 38 1 32 14 16 1 33 14 39 1 34 14 40 1 35 15 16 1 36 15 41 1 37 15 42 1 38 16 43 1 39 16 44 1 40 17 19 3 41 18 20 1 42 18 24 1 43 20 21 1 44 20 45 1 45 20 46 1 46 21 22 1 47 21 47 1 48 21 48 1 49 22 23 1 50 22 49 1 51 22 50 1 52 23 24 1 53 23 51 1 54 23 52 1 55 24 53 1 56 24 54 1