@MOLECULE 3-{5-oxo-3-[1-(4-piperidinyl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-n-(2-pyridinylmethyl)propanamide 69 74 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.6570 1.7622 -0.8342 C.ar 1 UNL1111 -0.2094 2 N 3.4150 3.1557 0.0305 N.ar 1 UNL1111 -0.3737 3 O -0.0317 1.0930 -2.3259 O.2 1 UNL1111 -0.4042 4 C 2.1192 2.9903 -0.3389 C.ar 1 UNL1111 0.1997 5 C 1.2910 4.1893 -0.2279 C.ar 1 UNL1111 -0.1489 6 C -0.0111 4.2260 0.0878 C.ar 1 UNL1111 -0.1482 7 C -0.8685 3.0924 0.4103 C.ar 1 UNL1111 0.0138 8 C -0.7810 1.8528 -0.2263 C.ar 1 UNL1111 -0.1315 9 C 0.2518 1.5553 -1.2486 C.ar 1 UNL1111 0.4714 10 C 2.5493 0.6953 -0.9611 C.ar 1 UNL1111 -0.0607 11 C 3.8788 0.8594 -0.5708 C.ar 1 UNL1111 -0.0524 12 C 4.2604 2.1262 -0.0707 C.ar 1 UNL1111 0.0598 13 C -1.8568 3.2767 1.3908 C.ar 1 UNL1111 -0.1563 14 C -2.7379 2.2533 1.7118 C.ar 1 UNL1111 -0.1488 15 C -2.6653 1.0265 1.0435 C.ar 1 UNL1111 0.0039 16 C -1.6825 0.8303 0.0764 C.ar 1 UNL1111 -0.1245 17 C 4.8385 -0.2032 -0.6833 C.ar 1 UNL1111 -0.1534 18 C -3.6566 -0.0547 1.3410 C.3 1 UNL1111 -0.2688 19 C -4.7875 -0.0056 0.3030 C.3 1 UNL1111 -0.3477 20 C -5.8246 -1.0485 0.6521 C.2 1 UNL1111 0.5880 21 N -6.9499 -0.5906 1.3165 N.am 1 UNL1111 -0.5966 22 O -5.6863 -2.2307 0.4146 O.2 1 UNL1111 -0.5377 23 C 6.0665 -0.3283 -0.0098 C.ar 1 UNL1111 -0.0883 24 N 6.6402 -1.5034 -0.4478 N.ar 1 UNL1111 -0.1155 25 N 5.8594 -2.1304 -1.3624 N.ar 1 UNL1111 -0.2477 26 C 4.7563 -1.3631 -1.5211 C.ar 1 UNL1111 -0.0520 27 C 7.9404 -2.0791 -0.0895 C.3 1 UNL1111 0.0944 28 C 8.0180 -2.2921 1.4342 C.3 1 UNL1111 -0.3584 29 C 9.4178 -2.8316 1.7904 C.3 1 UNL1111 -0.1002 30 N 10.5117 -1.9593 1.3246 N.3 1 UNL1111 -0.5222 31 C 10.4250 -1.7257 -0.1288 C.3 1 UNL1111 -0.1014 32 C 9.0680 -1.1445 -0.5713 C.3 1 UNL1111 -0.3579 33 C -8.0443 -1.5198 1.6045 C.3 1 UNL1111 -0.0755 34 C -8.9862 -1.5982 0.4199 C.ar 1 UNL1111 0.1409 35 N -10.1115 -0.8620 0.5059 N.ar 1 UNL1111 -0.3937 36 C -10.9730 -0.8868 -0.5281 C.ar 1 UNL1111 0.0525 37 C -10.7418 -1.6430 -1.6843 C.ar 1 UNL1111 -0.2412 38 C -9.5735 -2.3997 -1.7640 C.ar 1 UNL1111 -0.0793 39 C -8.6772 -2.3828 -0.6992 C.ar 1 UNL1111 -0.2278 40 H 1.8440 5.1241 -0.4005 H 1 UNL1111 0.1809 41 H -0.5174 5.1990 0.1465 H 1 UNL1111 0.1634 42 H 2.2022 -0.2584 -1.3659 H 1 UNL1111 0.1759 43 H 5.2907 2.3237 0.2485 H 1 UNL1111 0.1718 44 H -1.9285 4.2331 1.9077 H 1 UNL1111 0.1551 45 H -3.4915 2.4092 2.4820 H 1 UNL1111 0.1526 46 H -1.6191 -0.1206 -0.4580 H 1 UNL1111 0.1734 47 H -3.1743 -1.0573 1.3245 H 1 UNL1111 0.1705 48 H -4.0677 0.0464 2.3663 H 1 UNL1111 0.1535 49 H -5.2114 1.0134 0.2356 H 1 UNL1111 0.1599 50 H -4.3851 -0.2297 -0.7107 H 1 UNL1111 0.1859 51 H -7.1579 0.3892 1.4087 H 1 UNL1111 0.3138 52 H 6.5205 0.3131 0.7169 H 1 UNL1111 0.1732 53 H 3.9712 -1.6354 -2.2035 H 1 UNL1111 0.1879 54 H 8.0316 -3.0753 -0.6118 H 1 UNL1111 0.1760 55 H 7.8176 -1.3520 1.9778 H 1 UNL1111 0.1523 56 H 7.2367 -3.0030 1.7635 H 1 UNL1111 0.1636 57 H 9.5142 -2.9574 2.8907 H 1 UNL1111 0.1442 58 H 9.5662 -3.8421 1.3476 H 1 UNL1111 0.1491 59 H 10.5158 -1.0779 1.8350 H 1 UNL1111 0.2540 60 H 11.2519 -1.0436 -0.4232 H 1 UNL1111 0.1442 61 H 10.6187 -2.6915 -0.6476 H 1 UNL1111 0.1493 62 H 9.0347 -1.0417 -1.6727 H 1 UNL1111 0.1646 63 H 8.9341 -0.1243 -0.1707 H 1 UNL1111 0.1525 64 H -7.6300 -2.5341 1.8332 H 1 UNL1111 0.1784 65 H -8.5855 -1.1734 2.5184 H 1 UNL1111 0.1664 66 H -11.8737 -0.2742 -0.4094 H 1 UNL1111 0.1687 67 H -11.4598 -1.6371 -2.4985 H 1 UNL1111 0.1656 68 H -9.3630 -2.9982 -2.6503 H 1 UNL1111 0.1599 69 H -7.7480 -2.9559 -0.7272 H 1 UNL1111 0.1928 @BOND 1 1 9 ar 2 2 4 ar 3 4 1 ar 4 4 5 ar 5 5 6 ar 6 5 40 1 7 6 7 ar 8 6 41 1 9 7 8 ar 10 7 13 ar 11 8 9 ar 12 8 16 ar 13 9 3 2 14 10 1 ar 15 10 42 1 16 11 10 ar 17 12 2 ar 18 12 11 ar 19 12 43 1 20 13 14 ar 21 13 44 1 22 14 15 ar 23 14 45 1 24 15 18 1 25 16 15 ar 26 16 46 1 27 17 11 1 28 17 26 ar 29 18 47 1 30 18 48 1 31 19 18 1 32 19 49 1 33 19 50 1 34 20 19 1 35 20 22 2 36 21 20 am 37 21 51 1 38 23 17 ar 39 23 52 1 40 24 23 ar 41 24 25 ar 42 25 26 ar 43 26 53 1 44 27 24 1 45 27 28 1 46 27 54 1 47 28 55 1 48 28 56 1 49 29 28 1 50 29 57 1 51 29 58 1 52 30 29 1 53 30 59 1 54 31 30 1 55 31 32 1 56 31 60 1 57 31 61 1 58 32 27 1 59 32 62 1 60 32 63 1 61 33 21 1 62 33 34 1 63 33 64 1 64 33 65 1 65 34 39 ar 66 35 34 ar 67 35 36 ar 68 36 37 ar 69 36 66 1 70 37 38 ar 71 37 67 1 72 38 68 1 73 39 38 ar 74 39 69 1