@MOLECULE 3-{(3r)-3-methyl-4-[(4-methyladamantan-1-yl)carbonyl]-1-piperazinyl}-2-pyridinecarbonitrile 58 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3890 1.9446 1.6070 O.2 1 UNL111111111 -0.5408 2 N -0.1065 1.5318 -0.1675 N.am 1 UNL111111111 -0.5124 3 N 2.5885 0.4911 -0.0106 N.pl3 1 UNL111111111 -0.4104 4 N 5.4378 -1.8645 0.1028 N.ar 1 UNL111111111 -0.2698 5 N 2.3798 -3.1966 0.4764 N.1 1 UNL111111111 -0.2471 6 C -2.4416 0.4723 0.0544 C.3 1 UNL111111111 -0.0041 7 C -3.2867 -1.8668 -0.3109 C.3 1 UNL111111111 -0.0867 8 C -4.8449 -0.1146 0.5818 C.3 1 UNL111111111 -0.0968 9 C -4.0645 0.0119 -1.8038 C.3 1 UNL111111111 -0.0766 10 C -4.5050 -1.6221 0.6069 C.3 1 UNL111111111 -0.1080 11 C -3.6357 0.7317 1.0060 C.3 1 UNL111111111 -0.2750 12 C -2.0787 -1.0214 0.1325 C.3 1 UNL111111111 -0.2879 13 C -2.8639 0.8748 -1.3691 C.3 1 UNL111111111 -0.2913 14 C -5.2483 0.2720 -0.8548 C.3 1 UNL111111111 -0.2983 15 C -3.6708 -1.4767 -1.7527 C.3 1 UNL111111111 -0.2991 16 C -1.2813 1.3297 0.5609 C.2 1 UNL111111111 0.5459 17 C -4.2655 -2.1315 2.0289 C.3 1 UNL111111111 -0.4560 18 C 0.9588 2.2866 0.5397 C.3 1 UNL111111111 0.1202 19 C 0.3977 0.6284 -1.1946 C.3 1 UNL111111111 -0.0906 20 C 2.3710 1.9474 -0.0193 C.3 1 UNL111111111 -0.1269 21 C 1.4903 -0.2949 -0.6046 C.3 1 UNL111111111 -0.1192 22 C 0.7077 3.7892 0.3716 C.3 1 UNL111111111 -0.4753 23 C 3.8808 0.0030 -0.0970 C.ar 1 UNL111111111 0.2030 24 C 4.9989 0.8647 -0.2516 C.ar 1 UNL111111111 -0.2431 25 C 4.1751 -1.3806 0.0811 C.ar 1 UNL111111111 0.0033 26 C 6.2818 0.3565 -0.2179 C.ar 1 UNL111111111 -0.1208 27 C 6.4658 -1.0292 -0.0382 C.ar 1 UNL111111111 -0.0395 28 C 3.1756 -2.3757 0.2929 C.1 1 UNL111111111 0.1478 29 H -5.6924 0.0842 1.2746 H 1 UNL111111111 0.1282 30 H -3.0092 -2.9442 -0.2772 H 1 UNL111111111 0.1305 31 H -4.3550 0.2836 -2.8429 H 1 UNL111111111 0.1219 32 H -5.3758 -2.1827 0.1859 H 1 UNL111111111 0.1276 33 H -1.7851 -1.2883 1.1662 H 1 UNL111111111 0.1542 34 H -3.8956 1.8064 1.0053 H 1 UNL111111111 0.1484 35 H -3.3473 0.5056 2.0504 H 1 UNL111111111 0.1582 36 H -1.2097 -1.2679 -0.5002 H 1 UNL111111111 0.1335 37 H -2.0392 0.7579 -2.0913 H 1 UNL111111111 0.1335 38 H -3.1349 1.9467 -1.3938 H 1 UNL111111111 0.1462 39 H -5.5448 1.3346 -0.8943 H 1 UNL111111111 0.1373 40 H -6.1321 -0.3045 -1.1760 H 1 UNL111111111 0.1327 41 H -4.5077 -2.1030 -2.1066 H 1 UNL111111111 0.1326 42 H -2.8298 -1.6744 -2.4390 H 1 UNL111111111 0.1342 43 H -3.4416 -1.6023 2.5220 H 1 UNL111111111 0.1542 44 H -4.0183 -3.1986 2.0321 H 1 UNL111111111 0.1433 45 H -5.1564 -1.9959 2.6518 H 1 UNL111111111 0.1424 46 H 0.9298 2.0168 1.6342 H 1 UNL111111111 0.1694 47 H 0.8036 1.2354 -2.0383 H 1 UNL111111111 0.1520 48 H -0.4174 0.0088 -1.6330 H 1 UNL111111111 0.1624 49 H 2.5046 2.3783 -1.0353 H 1 UNL111111111 0.1386 50 H 3.1197 2.4314 0.6509 H 1 UNL111111111 0.1555 51 H 1.8606 -0.9846 -1.3945 H 1 UNL111111111 0.1485 52 H 1.0455 -0.9181 0.2128 H 1 UNL111111111 0.1759 53 H -0.2577 4.0606 0.8305 H 1 UNL111111111 0.1808 54 H 1.4795 4.3871 0.8638 H 1 UNL111111111 0.1464 55 H 0.6536 4.0829 -0.6811 H 1 UNL111111111 0.1505 56 H 4.8513 1.9306 -0.4117 H 1 UNL111111111 0.1691 57 H 7.1459 1.0091 -0.3337 H 1 UNL111111111 0.1647 58 H 7.4640 -1.4787 -0.0060 H 1 UNL111111111 0.1829 @BOND 1 1 16 2 2 2 16 am 3 2 18 1 4 2 19 1 5 3 20 1 6 3 21 1 7 3 23 1 8 4 25 ar 9 4 27 ar 10 5 28 3 11 6 11 1 12 6 12 1 13 6 13 1 14 6 16 1 15 7 10 1 16 7 12 1 17 7 15 1 18 7 30 1 19 8 10 1 20 8 11 1 21 8 14 1 22 8 29 1 23 9 13 1 24 9 14 1 25 9 15 1 26 9 31 1 27 10 17 1 28 10 32 1 29 11 34 1 30 11 35 1 31 12 33 1 32 12 36 1 33 13 37 1 34 13 38 1 35 14 39 1 36 14 40 1 37 15 41 1 38 15 42 1 39 17 43 1 40 17 44 1 41 17 45 1 42 18 20 1 43 18 22 1 44 18 46 1 45 19 21 1 46 19 47 1 47 19 48 1 48 20 49 1 49 20 50 1 50 21 51 1 51 21 52 1 52 22 53 1 53 22 54 1 54 22 55 1 55 23 24 ar 56 23 25 ar 57 24 26 ar 58 24 56 1 59 25 28 1 60 26 27 ar 61 26 57 1 62 27 58 1