@MOLECULE 1-[4-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]methanamine 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.5752 -0.8240 0.3185 N.pl3 1 UNL1111 -0.3960 2 C -1.2103 -1.3350 -1.0135 C.3 1 UNL1111 -0.0744 3 C 0.3222 -1.3920 -1.1245 C.3 1 UNL1111 -0.3047 4 C 0.5110 -3.7781 -0.2024 C.3 1 UNL1111 -0.1336 5 N 0.7711 -4.3870 -1.5156 N.3 1 UNL1111 -0.6351 6 C 0.4486 -1.7817 1.3351 C.3 1 UNL1111 -0.3120 7 C -1.0846 -1.6729 1.4225 C.3 1 UNL1111 -0.0673 8 C 3.0475 -0.8473 -0.0036 C.ar 1 UNL1111 0.0169 9 C 3.2548 -0.0974 -1.1661 C.ar 1 UNL1111 -0.1651 10 C 3.7747 1.1922 -1.0899 C.ar 1 UNL1111 -0.1524 11 C 4.0902 1.7025 0.1623 C.ar 1 UNL1111 0.0127 12 CL 4.7386 3.2831 0.2654 Cl 1 UNL1111 -0.0884 13 C 3.9071 0.9798 1.3333 C.ar 1 UNL1111 -0.1522 14 C 3.3834 -0.3079 1.2416 C.ar 1 UNL1111 -0.1574 15 C -2.7569 -0.1357 0.4824 C.ar 1 UNL1111 0.4502 16 N -3.4379 -0.3453 1.6475 N.ar 1 UNL1111 -0.5923 17 C 2.4859 -2.2317 -0.1001 C.3 1 UNL1111 -0.3225 18 C -4.5641 0.3661 1.9142 C.ar 1 UNL1111 0.2900 19 N -5.1270 1.2880 1.1177 N.ar 1 UNL1111 -0.5123 20 C -4.4423 1.5144 -0.0379 C.ar 1 UNL1111 0.3015 21 N -4.7678 2.4450 -1.0058 N.ar 1 UNL1111 -0.3459 22 C -3.7788 2.3908 -2.0030 C.ar 1 UNL1111 -0.0569 23 C -2.8385 1.4316 -1.6748 C.ar 1 UNL1111 -0.1772 24 C -3.2367 0.8392 -0.4343 C.ar 1 UNL1111 -0.2897 25 C 0.9365 -2.2871 -0.0362 C.3 1 UNL1111 0.0393 26 H -1.6556 -2.3449 -1.1736 H 1 UNL1111 0.1365 27 H -1.6219 -0.6808 -1.8121 H 1 UNL1111 0.1532 28 H -1.3678 -1.2076 2.3996 H 1 UNL1111 0.1763 29 H -1.5698 -2.6724 1.4041 H 1 UNL1111 0.1341 30 H 0.6160 -1.7256 -2.1331 H 1 UNL1111 0.1350 31 H 0.7212 -0.3592 -1.0168 H 1 UNL1111 0.1712 32 H -0.5792 -3.8836 0.0006 H 1 UNL1111 0.1525 33 H 1.0224 -4.3964 0.5682 H 1 UNL1111 0.1430 34 H 0.2845 -3.9122 -2.2575 H 1 UNL1111 0.2471 35 H 1.7511 -4.4203 -1.7378 H 1 UNL1111 0.2446 36 H 0.8811 -0.7762 1.5258 H 1 UNL1111 0.1670 37 H 0.8147 -2.4343 2.1468 H 1 UNL1111 0.1420 38 H 3.0101 -0.5214 -2.1385 H 1 UNL1111 0.1558 39 H 3.2377 -0.8947 2.1479 H 1 UNL1111 0.1603 40 H 2.8312 -2.7082 -1.0404 H 1 UNL1111 0.1469 41 H 2.9020 -2.8688 0.7084 H 1 UNL1111 0.1562 42 H 3.9288 1.7794 -1.9955 H 1 UNL1111 0.1708 43 H 4.1645 1.4026 2.3044 H 1 UNL1111 0.1719 44 H -5.0636 0.1460 2.8725 H 1 UNL1111 0.1953 45 H -5.5586 3.0494 -0.9818 H 1 UNL1111 0.3267 46 H -3.8263 3.0405 -2.8560 H 1 UNL1111 0.1711 47 H -1.9550 1.1918 -2.2299 H 1 UNL1111 0.1671 @BOND 1 1 2 1 2 1 7 1 3 1 15 1 4 2 3 1 5 2 26 1 6 2 27 1 7 3 25 1 8 3 30 1 9 3 31 1 10 4 5 1 11 4 25 1 12 4 32 1 13 4 33 1 14 5 34 1 15 5 35 1 16 6 7 1 17 6 25 1 18 6 36 1 19 6 37 1 20 7 28 1 21 7 29 1 22 8 9 ar 23 8 14 ar 24 8 17 1 25 9 10 ar 26 9 38 1 27 10 11 ar 28 10 42 1 29 11 12 1 30 11 13 ar 31 13 14 ar 32 13 43 1 33 14 39 1 34 15 16 ar 35 15 24 ar 36 16 18 ar 37 17 25 1 38 17 40 1 39 17 41 1 40 18 19 ar 41 18 44 1 42 19 20 ar 43 20 21 ar 44 20 24 ar 45 21 22 ar 46 21 45 1 47 22 23 ar 48 22 46 1 49 23 24 ar 50 23 47 1