@MOLECULE 9-cyclopentyl-n-[5-(1-piperazinyl)-2-pyridinyl]-9h-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine 57 62 0 0 0 SMALL GASTEIGER @ATOM 1 N -6.8144 -2.2796 -0.1093 N.ar 1 UNL1111 -0.3463 2 C -4.6431 1.6574 0.0192 C.3 1 UNL1111 0.1093 3 C -4.3239 3.9356 -0.7636 C.3 1 UNL1111 -0.2553 4 C 4.0625 1.4909 -0.1065 C.ar 1 UNL1111 0.0808 5 C 2.4761 -0.7330 0.3074 C.ar 1 UNL1111 -0.2465 6 C 6.6133 -0.2491 -1.2761 C.3 1 UNL1111 -0.1082 7 C 8.1493 -0.0694 -1.2997 C.3 1 UNL1111 -0.1161 8 C 6.6958 -0.5853 1.1407 C.3 1 UNL1111 -0.1106 9 C -6.2834 -1.0481 -0.0693 C.ar 1 UNL1111 0.0090 10 C -4.8945 -0.8758 -0.0379 C.ar 1 UNL1111 0.0265 11 C -4.0371 -2.0291 -0.0475 C.ar 1 UNL1111 0.0389 12 C -4.6088 -3.2924 -0.0898 C.ar 1 UNL1111 -0.2122 13 C -2.6919 -1.5365 -0.0075 C.ar 1 UNL1111 -0.3377 14 C -1.4126 -2.0861 0.0128 C.ar 1 UNL1111 0.2175 15 N -0.3242 -1.3047 0.0585 N.ar 1 UNL1111 -0.5284 16 C -0.4953 0.0611 0.0805 C.ar 1 UNL1111 0.5484 17 N -1.7021 0.7185 0.0569 N.ar 1 UNL1111 -0.5663 18 C -2.7820 -0.0894 0.0212 C.ar 1 UNL1111 0.4029 19 N -4.1116 0.2968 0.0077 N.ar 1 UNL1111 -0.3348 20 C -4.1538 2.4750 1.2368 C.3 1 UNL1111 -0.2951 21 C -4.1866 3.9418 0.7745 C.3 1 UNL1111 -0.2540 22 C -4.1939 2.4732 -1.2140 C.3 1 UNL1111 -0.2947 23 N 0.5866 0.9113 0.1443 N.pl3 1 UNL1111 -0.4403 24 C 1.9475 0.5525 0.1144 C.ar 1 UNL1111 0.3526 25 N 2.7356 1.6487 -0.0891 N.ar 1 UNL1111 -0.4380 26 C 4.6749 0.2302 0.0701 C.ar 1 UNL1111 0.0084 27 C 3.8582 -0.8842 0.2771 C.ar 1 UNL1111 -0.1237 28 N 6.1084 0.2203 0.0413 N.pl3 1 UNL1111 -0.4142 29 N 8.7437 -0.8615 -0.1976 N.3 1 UNL1111 -0.5354 30 C 8.2305 -0.3914 1.1102 C.3 1 UNL1111 -0.1155 31 C -6.0068 -3.3620 -0.1196 C.ar 1 UNL1111 0.0271 32 H -5.7619 1.5857 0.0386 H 1 UNL1111 0.1428 33 H -5.2953 4.3572 -1.0695 H 1 UNL1111 0.1300 34 H -3.5526 4.5646 -1.2361 H 1 UNL1111 0.1386 35 H 4.6637 2.3954 -0.2665 H 1 UNL1111 0.1873 36 H 1.8293 -1.5978 0.4734 H 1 UNL1111 0.2158 37 H 6.1481 0.3675 -2.0736 H 1 UNL1111 0.1404 38 H 6.3568 -1.3119 -1.4741 H 1 UNL1111 0.1332 39 H 8.5531 -0.4548 -2.2601 H 1 UNL1111 0.1370 40 H 8.3971 1.0121 -1.2360 H 1 UNL1111 0.1255 41 H 6.2866 -0.2164 2.1045 H 1 UNL1111 0.1417 42 H 6.4596 -1.6679 1.0600 H 1 UNL1111 0.1306 43 H -6.9875 -0.2118 -0.0630 H 1 UNL1111 0.1774 44 H -3.9990 -4.1893 -0.0985 H 1 UNL1111 0.1708 45 H -1.2314 -3.1693 -0.0066 H 1 UNL1111 0.1822 46 H -4.7769 2.2995 2.1247 H 1 UNL1111 0.1412 47 H -3.1227 2.1831 1.5173 H 1 UNL1111 0.1719 48 H -3.2661 4.4649 1.0840 H 1 UNL1111 0.1403 49 H -5.0218 4.4877 1.2411 H 1 UNL1111 0.1292 50 H -3.1432 2.2387 -1.4758 H 1 UNL1111 0.1706 51 H -4.7963 2.2475 -2.1043 H 1 UNL1111 0.1418 52 H 0.3839 1.9222 0.0863 H 1 UNL1111 0.3539 53 H 4.2971 -1.8727 0.4131 H 1 UNL1111 0.1643 54 H 9.7604 -0.8091 -0.2251 H 1 UNL1111 0.2518 55 H 8.4742 0.6736 1.3128 H 1 UNL1111 0.1266 56 H 8.6985 -1.0054 1.9082 H 1 UNL1111 0.1362 57 H -6.5264 -4.3262 -0.1535 H 1 UNL1111 0.1707 @BOND 1 1 31 ar 2 2 19 1 3 2 32 1 4 3 21 1 5 3 22 1 6 3 33 1 7 3 34 1 8 4 25 ar 9 4 35 1 10 5 24 ar 11 5 36 1 12 6 28 1 13 6 37 1 14 6 38 1 15 7 6 1 16 7 39 1 17 7 40 1 18 8 28 1 19 8 41 1 20 8 42 1 21 9 1 ar 22 9 10 ar 23 9 43 1 24 10 11 ar 25 11 12 ar 26 11 13 ar 27 12 44 1 28 13 14 ar 29 14 15 ar 30 14 45 1 31 16 23 1 32 16 15 ar 33 17 16 ar 34 18 17 ar 35 18 13 ar 36 19 10 ar 37 19 18 ar 38 20 2 1 39 20 46 1 40 20 47 1 41 21 20 1 42 21 48 1 43 21 49 1 44 22 2 1 45 22 50 1 46 22 51 1 47 23 52 1 48 24 25 ar 49 24 23 1 50 26 4 ar 51 27 26 ar 52 27 5 ar 53 27 53 1 54 28 26 1 55 29 30 1 56 29 7 1 57 29 54 1 58 30 8 1 59 30 55 1 60 30 56 1 61 31 12 ar 62 31 57 1