@MOLECULE 4-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinamine 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 CL -6.6390 -1.7087 0.6421 Cl 1 UNL1111111111 -0.1010 2 N 2.0012 0.7149 -0.0198 N.pl3 1 UNL1111111111 -0.4002 3 N -1.1991 1.9163 1.1133 N.3 1 UNL1111111111 -0.6726 4 N 4.1857 1.4538 0.3722 N.ar 1 UNL1111111111 -0.5924 5 N 5.6581 -2.3272 -0.0725 N.ar 1 UNL1111111111 -0.3452 6 N 6.1388 0.0386 0.3394 N.ar 1 UNL1111111111 -0.5104 7 C -0.8241 1.4915 -0.2508 C.3 1 UNL1111111111 0.2472 8 C 0.3390 2.3416 -0.8279 C.3 1 UNL1111111111 -0.3621 9 C -0.3669 0.0157 -0.2306 C.3 1 UNL1111111111 -0.3106 10 C 1.6246 2.1456 -0.0110 C.3 1 UNL1111111111 -0.0703 11 C 0.9610 -0.1775 0.5219 C.3 1 UNL1111111111 -0.0726 12 C -2.0614 1.6601 -1.1766 C.3 1 UNL1111111111 -0.3201 13 C -3.2154 0.8170 -0.7299 C.ar 1 UNL1111111111 0.0265 14 C 3.3308 0.4077 0.1571 C.ar 1 UNL1111111111 0.4433 15 C 3.8635 -0.9035 0.0165 C.ar 1 UNL1111111111 -0.2897 16 C -3.4728 -0.4065 -1.3549 C.ar 1 UNL1111111111 -0.1652 17 C -4.0319 1.2510 0.3198 C.ar 1 UNL1111111111 -0.1173 18 C 5.2937 -1.0073 0.1184 C.ar 1 UNL1111111111 0.3031 19 C 3.3888 -2.2241 -0.2661 C.ar 1 UNL1111111111 -0.1802 20 C -4.5391 -1.2002 -0.9352 C.ar 1 UNL1111111111 -0.1704 21 C -5.0991 0.4675 0.7516 C.ar 1 UNL1111111111 -0.1699 22 C 5.5236 1.2268 0.4431 C.ar 1 UNL1111111111 0.2924 23 C 4.4864 -3.0651 -0.3091 C.ar 1 UNL1111111111 -0.0548 24 C -5.3266 -0.7433 0.1121 C.ar 1 UNL1111111111 0.0157 25 H 0.0718 3.4112 -0.8495 H 1 UNL1111111111 0.1442 26 H 0.5255 2.0510 -1.8798 H 1 UNL1111111111 0.1647 27 H -0.2637 -0.3471 -1.2713 H 1 UNL1111111111 0.1582 28 H -1.1505 -0.6100 0.2437 H 1 UNL1111111111 0.1681 29 H 2.4496 2.7496 -0.4662 H 1 UNL1111111111 0.1784 30 H 1.5106 2.5201 1.0286 H 1 UNL1111111111 0.1307 31 H 0.8214 0.0144 1.6118 H 1 UNL1111111111 0.1333 32 H 1.2831 -1.2388 0.4342 H 1 UNL1111111111 0.1562 33 H -1.7731 1.4149 -2.2182 H 1 UNL1111111111 0.1535 34 H -2.3590 2.7286 -1.2005 H 1 UNL1111111111 0.1546 35 H -1.3482 2.9088 1.1789 H 1 UNL1111111111 0.2527 36 H -0.5179 1.6373 1.7994 H 1 UNL1111111111 0.2590 37 H -2.8400 -0.7455 -2.1728 H 1 UNL1111111111 0.1557 38 H -3.8150 2.1954 0.8192 H 1 UNL1111111111 0.1668 39 H 2.3695 -2.5028 -0.4376 H 1 UNL1111111111 0.1668 40 H -4.7414 -2.1534 -1.4207 H 1 UNL1111111111 0.1674 41 H -5.7308 0.8015 1.5736 H 1 UNL1111111111 0.1702 42 H 6.5900 -2.6775 -0.0471 H 1 UNL1111111111 0.3274 43 H 6.1571 2.1137 0.6161 H 1 UNL1111111111 0.1964 44 H 4.5330 -4.1224 -0.4898 H 1 UNL1111111111 0.1721 @BOND 1 1 24 1 2 2 10 1 3 2 11 1 4 2 14 1 5 3 7 1 6 3 35 1 7 3 36 1 8 4 14 ar 9 4 22 ar 10 5 18 ar 11 5 23 ar 12 5 42 1 13 6 18 ar 14 6 22 ar 15 7 8 1 16 7 9 1 17 7 12 1 18 8 10 1 19 8 25 1 20 8 26 1 21 9 11 1 22 9 27 1 23 9 28 1 24 10 29 1 25 10 30 1 26 11 31 1 27 11 32 1 28 12 13 1 29 12 33 1 30 12 34 1 31 13 16 ar 32 13 17 ar 33 14 15 ar 34 15 18 ar 35 15 19 ar 36 16 20 ar 37 16 37 1 38 17 21 ar 39 17 38 1 40 19 23 ar 41 19 39 1 42 20 24 ar 43 20 40 1 44 21 24 ar 45 21 41 1 46 22 43 1 47 23 44 1