@MOLECULE 7-cyclopentyl-2-({1-methyl-5-[(4-methyl-1-piperazinyl)carbonyl]-1h-pyrrol-3-yl}amino)-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide 63 67 0 0 0 SMALL GASTEIGER @ATOM 1 O 6.7244 1.8349 0.4154 O.2 1 UNL1111 -0.5204 2 C 5.8178 2.2457 -0.2829 C.2 1 UNL1111 0.6055 3 N 6.0539 3.2844 -1.1624 N.am 1 UNL1111 -0.6740 4 C 4.4409 1.7184 -0.2675 C.ar 1 UNL1111 -0.0590 5 N 4.1523 0.3609 -0.0132 N.ar 1 UNL1111 -0.2535 6 C 5.1301 -0.6923 0.2578 C.3 1 UNL1111 0.0865 7 C 4.8900 -1.3805 1.6210 C.3 1 UNL1111 -0.2932 8 C 5.4947 -2.7851 1.4625 C.3 1 UNL1111 -0.2523 9 C 5.6429 -3.0525 -0.0517 C.3 1 UNL1111 -0.2531 10 C 5.0588 -1.8333 -0.7824 C.3 1 UNL1111 -0.3003 11 C 3.2651 2.4310 -0.4591 C.ar 1 UNL1111 -0.1408 12 C 2.1892 1.5099 -0.3317 C.ar 1 UNL1111 -0.3091 13 C 2.7797 0.2194 -0.0560 C.ar 1 UNL1111 0.3401 14 N 2.0548 -0.9162 0.1100 N.ar 1 UNL1111 -0.5780 15 C 0.7869 1.5532 -0.4035 C.ar 1 UNL1111 0.1950 16 N 0.0518 0.4599 -0.2319 N.ar 1 UNL1111 -0.5000 17 C 0.7031 -0.7440 0.0196 C.ar 1 UNL1111 0.5312 18 N -0.0302 -1.8882 0.2229 N.pl3 1 UNL1111 -0.4185 19 C -1.4138 -1.9651 0.0258 C.ar 1 UNL1111 0.1031 20 C -2.0837 -3.1221 -0.4391 C.ar 1 UNL1111 -0.1765 21 N -3.4280 -2.8312 -0.4712 N.ar 1 UNL1111 -0.0962 22 C -4.4712 -3.7485 -0.8835 C.3 1 UNL1111 -0.2693 23 C -2.3877 -0.9677 0.2702 C.ar 1 UNL1111 -0.1944 24 C -3.6308 -1.5216 -0.0710 C.ar 1 UNL1111 -0.1012 25 C -4.9782 -0.9360 0.0306 C.2 1 UNL1111 0.5839 26 O -5.8940 -1.5531 0.5539 O.2 1 UNL1111 -0.5557 27 N -5.2433 0.2756 -0.5828 N.am 1 UNL1111 -0.4607 28 C -4.2044 1.2017 -1.0449 C.3 1 UNL1111 -0.0876 29 C -3.9040 2.2710 0.0339 C.3 1 UNL1111 -0.1431 30 N -5.1631 2.9942 0.3454 N.3 1 UNL1111 -0.4014 31 C -4.9080 4.0699 1.3272 C.3 1 UNL1111 -0.2860 32 C -6.1897 2.0554 0.8640 C.3 1 UNL1111 -0.1536 33 C -6.4811 0.9808 -0.2127 C.3 1 UNL1111 -0.0819 34 H 5.3561 3.6447 -1.7729 H 1 UNL1111 0.3067 35 H 6.9633 3.6984 -1.2059 H 1 UNL1111 0.3135 36 H 6.1581 -0.2356 0.2502 H 1 UNL1111 0.1803 37 H 5.3488 -0.8150 2.4457 H 1 UNL1111 0.1475 38 H 3.8088 -1.4451 1.8466 H 1 UNL1111 0.1663 39 H 6.4726 -2.8510 1.9668 H 1 UNL1111 0.1323 40 H 4.8494 -3.5425 1.9360 H 1 UNL1111 0.1364 41 H 6.7024 -3.1986 -0.3186 H 1 UNL1111 0.1313 42 H 5.1185 -3.9753 -0.3460 H 1 UNL1111 0.1349 43 H 4.0109 -2.0258 -1.0823 H 1 UNL1111 0.1663 44 H 5.6090 -1.5873 -1.7006 H 1 UNL1111 0.1387 45 H 3.1647 3.4794 -0.6500 H 1 UNL1111 0.1662 46 H 0.2436 2.4859 -0.6029 H 1 UNL1111 0.1757 47 H 0.4847 -2.7572 0.3473 H 1 UNL1111 0.3314 48 H -1.6785 -4.0688 -0.7243 H 1 UNL1111 0.1721 49 H -4.8287 -3.5066 -1.9024 H 1 UNL1111 0.1618 50 H -4.1162 -4.7923 -0.8724 H 1 UNL1111 0.1576 51 H -5.3452 -3.6754 -0.1962 H 1 UNL1111 0.1972 52 H -2.1960 0.0181 0.6455 H 1 UNL1111 0.1899 53 H -3.2774 0.6588 -1.3325 H 1 UNL1111 0.1670 54 H -4.5809 1.7006 -1.9700 H 1 UNL1111 0.1562 55 H -3.4410 1.7986 0.9260 H 1 UNL1111 0.1303 56 H -3.1715 3.0021 -0.3697 H 1 UNL1111 0.1464 57 H -4.1873 4.7846 0.8967 H 1 UNL1111 0.1448 58 H -5.8439 4.6256 1.5040 H 1 UNL1111 0.1454 59 H -4.5202 3.7226 2.2968 H 1 UNL1111 0.1242 60 H -5.8911 1.5655 1.8150 H 1 UNL1111 0.1307 61 H -7.1176 2.6308 1.0667 H 1 UNL1111 0.1425 62 H -6.8957 1.4584 -1.1293 H 1 UNL1111 0.1524 63 H -7.2426 0.2581 0.1601 H 1 UNL1111 0.1686 @BOND 1 2 4 1 2 2 1 2 3 3 2 am 4 3 34 1 5 3 35 1 6 4 11 ar 7 5 13 ar 8 5 4 ar 9 6 5 1 10 6 36 1 11 7 6 1 12 7 37 1 13 7 38 1 14 8 7 1 15 8 39 1 16 8 40 1 17 9 8 1 18 9 10 1 19 9 41 1 20 9 42 1 21 10 6 1 22 10 43 1 23 10 44 1 24 11 45 1 25 12 11 ar 26 12 15 ar 27 13 12 ar 28 14 13 ar 29 14 17 ar 30 15 46 1 31 16 15 ar 32 17 16 ar 33 18 17 1 34 18 47 1 35 19 18 1 36 20 19 ar 37 20 48 1 38 21 24 ar 39 21 20 ar 40 22 21 1 41 22 49 1 42 22 50 1 43 22 51 1 44 23 19 ar 45 23 52 1 46 24 23 ar 47 25 24 1 48 26 25 2 49 27 25 am 50 27 33 1 51 28 27 1 52 28 53 1 53 28 54 1 54 29 28 1 55 29 30 1 56 29 55 1 57 29 56 1 58 30 31 1 59 30 32 1 60 31 57 1 61 31 58 1 62 31 59 1 63 32 33 1 64 32 60 1 65 32 61 1 66 33 62 1 67 33 63 1