@MOLECULE 1-[4-(4-chlorophenyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]methanamine 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.2523 0.4186 0.7193 N.pl3 1 UNL1111 -0.3807 2 C -0.5973 0.8368 -0.5344 C.3 1 UNL1111 -0.0861 3 C -0.1050 -0.3766 -1.3487 C.3 1 UNL1111 -0.3233 4 C 0.8817 -1.2339 -0.5287 C.3 1 UNL1111 0.0019 5 C 1.2287 -2.5342 -1.3267 C.3 1 UNL1111 -0.1204 6 N 2.0129 -2.3367 -2.5530 N.3 1 UNL1111 -0.6291 7 C 0.1425 -1.6543 0.7608 C.3 1 UNL1111 -0.3205 8 C -0.3493 -0.4208 1.5363 C.3 1 UNL1111 -0.0723 9 C 2.1800 -0.5219 -0.2248 C.ar 1 UNL1111 -0.0075 10 C 2.9873 -0.9664 0.8299 C.ar 1 UNL1111 -0.1580 11 C 4.2014 -0.3479 1.1137 C.ar 1 UNL1111 -0.1578 12 C 4.6024 0.7181 0.3197 C.ar 1 UNL1111 0.0119 13 CL 6.0919 1.4863 0.6593 Cl 1 UNL1111 -0.0823 14 C 3.8378 1.1785 -0.7419 C.ar 1 UNL1111 -0.1612 15 C 2.6246 0.5473 -1.0091 C.ar 1 UNL1111 -0.1754 16 C -2.5904 0.0410 0.6423 C.ar 1 UNL1111 0.4409 17 N -2.9779 -1.0585 1.3447 N.ar 1 UNL1111 -0.5793 18 C -4.2924 -1.4030 1.4058 C.ar 1 UNL1111 0.2796 19 N -5.3052 -0.7649 0.8009 N.ar 1 UNL1111 -0.5006 20 C -4.9263 0.3402 0.1015 C.ar 1 UNL1111 0.2924 21 N -5.7662 1.2013 -0.5785 N.ar 1 UNL1111 -0.3445 22 C -4.9775 2.2292 -1.1220 C.ar 1 UNL1111 -0.0519 23 C -3.6498 2.0204 -0.7965 C.ar 1 UNL1111 -0.1800 24 C -3.5753 0.8160 -0.0265 C.ar 1 UNL1111 -0.2797 25 H -1.2842 1.4550 -1.1489 H 1 UNL1111 0.1520 26 H 0.2583 1.4958 -0.2527 H 1 UNL1111 0.1599 27 H 0.5067 0.2232 1.8418 H 1 UNL1111 0.1479 28 H -0.8727 -0.7323 2.4705 H 1 UNL1111 0.1715 29 H -0.9748 -0.9998 -1.6413 H 1 UNL1111 0.1587 30 H 0.3414 -0.0376 -2.2985 H 1 UNL1111 0.1432 31 H 1.7959 -3.2294 -0.6683 H 1 UNL1111 0.1476 32 H 0.2879 -3.0620 -1.6015 H 1 UNL1111 0.1519 33 H -0.7318 -2.2908 0.5056 H 1 UNL1111 0.1716 34 H 0.7748 -2.2827 1.4101 H 1 UNL1111 0.1461 35 H 1.5422 -1.7447 -3.2164 H 1 UNL1111 0.2458 36 H 2.9241 -1.9503 -2.3631 H 1 UNL1111 0.2516 37 H 2.6720 -1.8114 1.4434 H 1 UNL1111 0.1635 38 H 2.0269 0.9079 -1.8458 H 1 UNL1111 0.1592 39 H 4.8184 -0.6988 1.9414 H 1 UNL1111 0.1738 40 H 4.1703 2.0146 -1.3576 H 1 UNL1111 0.1734 41 H -4.5343 -2.3009 1.9988 H 1 UNL1111 0.1970 42 H -6.7552 1.1058 -0.6497 H 1 UNL1111 0.3277 43 H -5.4277 3.0218 -1.6898 H 1 UNL1111 0.1724 44 H -2.8248 2.6548 -1.0485 H 1 UNL1111 0.1692 @BOND 1 1 2 1 2 1 8 1 3 1 16 1 4 2 3 1 5 2 25 1 6 2 26 1 7 3 4 1 8 3 29 1 9 3 30 1 10 4 5 1 11 4 7 1 12 4 9 1 13 5 6 1 14 5 31 1 15 5 32 1 16 6 35 1 17 6 36 1 18 7 8 1 19 7 33 1 20 7 34 1 21 8 27 1 22 8 28 1 23 9 10 ar 24 9 15 ar 25 10 11 ar 26 10 37 1 27 11 12 ar 28 11 39 1 29 12 13 1 30 12 14 ar 31 14 15 ar 32 14 40 1 33 15 38 1 34 16 17 ar 35 16 24 ar 36 17 18 ar 37 18 19 ar 38 18 41 1 39 19 20 ar 40 20 21 ar 41 20 24 ar 42 21 22 ar 43 21 42 1 44 22 23 ar 45 22 43 1 46 23 24 ar 47 23 44 1