@MOLECULE 4-amino-n-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxamide 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 N -3.0598 -0.5035 0.1232 N.pl3 1 UNL1111 -0.3941 2 C -2.5629 -1.8416 0.5195 C.3 1 UNL1111 -0.0707 3 C -1.2681 -2.1572 -0.2376 C.3 1 UNL1111 -0.3389 4 C -0.1969 -1.0820 0.0129 C.3 1 UNL1111 0.1396 5 N 0.3110 -1.0600 1.4021 N.3 1 UNL1111 -0.6722 6 C -0.7713 0.2943 -0.3762 C.3 1 UNL1111 -0.3006 7 C -2.0913 0.5854 0.3553 C.3 1 UNL1111 -0.0766 8 C 1.0023 -1.3645 -0.9253 C.2 1 UNL1111 0.5398 9 O 0.8755 -1.9855 -1.9630 O.2 1 UNL1111 -0.5508 10 N 2.2082 -0.8269 -0.5605 N.am 1 UNL1111 -0.5745 11 C 3.3858 -1.0687 -1.4069 C.3 1 UNL1111 -0.0682 12 C 4.5867 -0.4133 -0.7835 C.ar 1 UNL1111 -0.0491 13 C 5.2977 -1.0805 0.2164 C.ar 1 UNL1111 -0.1283 14 C 6.4026 -0.4757 0.8120 C.ar 1 UNL1111 -0.1723 15 C 6.7681 0.7942 0.3838 C.ar 1 UNL1111 0.0285 16 CL 8.1250 1.5446 1.1068 Cl 1 UNL1111 -0.0831 17 C 6.0787 1.4807 -0.6072 C.ar 1 UNL1111 -0.1741 18 C 4.9751 0.8639 -1.1931 C.ar 1 UNL1111 -0.1257 19 C -4.3983 -0.2340 0.3651 C.ar 1 UNL1111 0.4376 20 N -5.1197 -1.2165 0.9748 N.ar 1 UNL1111 -0.5871 21 C -6.4604 -1.0708 1.1487 C.ar 1 UNL1111 0.2903 22 N -7.1921 -0.0055 0.7897 N.ar 1 UNL1111 -0.5044 23 C -6.4782 0.9772 0.1746 C.ar 1 UNL1111 0.2993 24 N -6.9893 2.1552 -0.3348 N.ar 1 UNL1111 -0.3447 25 C -5.9287 2.8645 -0.9228 C.ar 1 UNL1111 -0.0520 26 C -4.7542 2.1481 -0.7826 C.ar 1 UNL1111 -0.1805 27 C -5.0620 0.9413 -0.0766 C.ar 1 UNL1111 -0.2836 28 H -2.4215 -1.9085 1.6192 H 1 UNL1111 0.1292 29 H -3.3393 -2.6055 0.2598 H 1 UNL1111 0.1794 30 H -2.5088 1.5482 -0.0152 H 1 UNL1111 0.1567 31 H -1.9122 0.7244 1.4464 H 1 UNL1111 0.1290 32 H -0.8995 -3.1618 0.0360 H 1 UNL1111 0.1534 33 H -1.4743 -2.2181 -1.3318 H 1 UNL1111 0.1934 34 H -0.3371 -0.6101 2.0302 H 1 UNL1111 0.2636 35 H 0.5048 -1.9893 1.7473 H 1 UNL1111 0.2598 36 H -0.0392 1.0964 -0.1578 H 1 UNL1111 0.1594 37 H -0.9423 0.3154 -1.4747 H 1 UNL1111 0.1753 38 H 2.3388 -0.3890 0.3412 H 1 UNL1111 0.3360 39 H 3.5408 -2.1683 -1.5388 H 1 UNL1111 0.1588 40 H 3.1818 -0.6773 -2.4343 H 1 UNL1111 0.1620 41 H 4.9881 -2.0768 0.5340 H 1 UNL1111 0.1645 42 H 4.4137 1.3828 -1.9706 H 1 UNL1111 0.1633 43 H 6.9616 -0.9921 1.5924 H 1 UNL1111 0.1738 44 H 6.3871 2.4770 -0.9236 H 1 UNL1111 0.1732 45 H -6.9812 -1.9069 1.6453 H 1 UNL1111 0.1977 46 H -7.9449 2.4347 -0.2940 H 1 UNL1111 0.3278 47 H -6.1006 3.8128 -1.3961 H 1 UNL1111 0.1724 48 H -3.7910 2.4281 -1.1563 H 1 UNL1111 0.1678 @BOND 1 1 2 1 2 1 7 1 3 1 19 1 4 2 3 1 5 2 28 1 6 2 29 1 7 3 4 1 8 3 32 1 9 3 33 1 10 4 5 1 11 4 6 1 12 4 8 1 13 5 34 1 14 5 35 1 15 6 7 1 16 6 36 1 17 6 37 1 18 7 30 1 19 7 31 1 20 8 9 2 21 8 10 am 22 10 11 1 23 10 38 1 24 11 12 1 25 11 39 1 26 11 40 1 27 12 13 ar 28 12 18 ar 29 13 14 ar 30 13 41 1 31 14 15 ar 32 14 43 1 33 15 16 1 34 15 17 ar 35 17 18 ar 36 17 44 1 37 18 42 1 38 19 20 ar 39 19 27 ar 40 20 21 ar 41 21 22 ar 42 21 45 1 43 22 23 ar 44 23 24 ar 45 23 27 ar 46 24 25 ar 47 24 46 1 48 25 26 ar 49 25 47 1 50 26 27 ar 51 26 48 1