@MOLECULE 7-{[(1r,2s)-2-aminocyclohexyl]amino}-5-(1h-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3h)-one 52 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.5633 2.7014 -0.3827 C.3 1 UNL1 -0.2855 2 C -4.8422 2.2523 -1.8190 C.3 1 UNL1 -0.2723 3 C -3.9959 1.0240 -2.1691 C.3 1 UNL1 -0.2567 4 C -0.1059 -4.9103 -0.1009 C.ar 1 UNL1 0.2968 5 C 0.6769 -0.8244 0.4320 C.ar 1 UNL1 0.5297 6 C 2.3589 1.0032 0.4996 C.ar 1 UNL1 0.1504 7 C 1.6384 2.0761 0.9949 C.ar 1 UNL1 -0.1585 8 C 2.1444 3.3914 0.9027 C.ar 1 UNL1 -0.1610 9 C 3.3706 3.6649 0.3321 C.ar 1 UNL1 -0.1508 10 C 4.1288 2.6004 -0.1765 C.ar 1 UNL1 -0.0292 11 C 3.6173 1.2696 -0.0961 C.ar 1 UNL1 0.0216 12 C 5.6304 1.1761 -1.1168 C.ar 1 UNL1 -0.0140 13 C 5.4049 2.5114 -0.8243 C.ar 1 UNL1 -0.2671 14 O 2.7691 -2.8854 -0.0064 O.2 1 UNL1 -0.5901 15 C 1.5759 -3.1476 0.0424 C.ar 1 UNL1 0.6535 16 N 1.2284 -4.5181 -0.1149 N.ar 1 UNL1 -0.5729 17 N -1.1042 -4.0811 0.0333 N.ar 1 UNL1 -0.4813 18 C -0.8545 -2.7120 0.1838 C.ar 1 UNL1 0.3832 19 C -1.9236 -1.8361 0.2754 C.ar 1 UNL1 -0.4751 20 C 0.4865 -2.2364 0.2306 C.ar 1 UNL1 -0.5132 21 N -0.3568 0.0404 0.4954 N.ar 1 UNL1 -0.6068 22 C -1.6376 -0.4502 0.4074 C.ar 1 UNL1 0.4995 23 N -2.5837 0.5213 0.4892 N.pl3 1 UNL1 -0.4761 24 C -4.0084 0.2713 0.2609 C.3 1 UNL1 0.0760 25 C -4.2919 -0.1272 -1.2051 C.3 1 UNL1 -0.3113 26 C -4.8355 1.5522 0.6090 C.3 1 UNL1 0.0299 27 N -4.4522 2.0192 1.9605 N.3 1 UNL1 -0.6738 28 N 1.9559 -0.3507 0.5792 N.pl3 1 UNL1 -0.4664 29 N 4.5530 0.4097 -0.6706 N.ar 1 UNL1 -0.3562 30 H -3.5151 3.0482 -0.2844 H 1 UNL1 0.1599 31 H -5.1862 3.5775 -0.1260 H 1 UNL1 0.1360 32 H -5.9164 2.0268 -1.9509 H 1 UNL1 0.1344 33 H -4.6207 3.0783 -2.5211 H 1 UNL1 0.1389 34 H -4.1915 0.7074 -3.2101 H 1 UNL1 0.1362 35 H -2.9177 1.2815 -2.1302 H 1 UNL1 0.1549 36 H -0.3137 -5.9879 -0.2137 H 1 UNL1 0.1837 37 H 0.6627 1.9144 1.4604 H 1 UNL1 0.1936 38 H 1.5366 4.2021 1.3012 H 1 UNL1 0.1492 39 H 3.7543 4.6783 0.2683 H 1 UNL1 0.1505 40 H 6.4716 0.7147 -1.5997 H 1 UNL1 0.1627 41 H 6.0483 3.3365 -1.0328 H 1 UNL1 0.1635 42 H 1.9798 -5.1867 -0.2494 H 1 UNL1 0.3314 43 H -2.9380 -2.2109 0.2585 H 1 UNL1 0.1923 44 H -2.3012 1.4876 0.6501 H 1 UNL1 0.3461 45 H -4.3361 -0.5641 0.9386 H 1 UNL1 0.1386 46 H -5.3453 -0.4472 -1.3010 H 1 UNL1 0.1427 47 H -3.6814 -1.0116 -1.4810 H 1 UNL1 0.1636 48 H -5.9186 1.2704 0.5500 H 1 UNL1 0.1153 49 H -4.9983 2.8072 2.2620 H 1 UNL1 0.2563 50 H -4.5020 1.2899 2.6520 H 1 UNL1 0.2589 51 H 2.7052 -1.0542 0.5447 H 1 UNL1 0.3458 52 H 4.4307 -0.5709 -0.7962 H 1 UNL1 0.3233 @BOND 1 34 3 1 2 33 2 1 3 3 35 1 4 3 2 1 5 3 25 1 6 32 2 1 7 2 1 1 8 40 12 1 9 47 25 1 10 46 25 1 11 25 24 1 12 12 13 ar 13 12 29 ar 14 41 13 1 15 13 10 ar 16 52 29 1 17 29 11 ar 18 1 30 1 19 1 31 1 20 1 26 1 21 42 16 1 22 36 4 1 23 10 11 ar 24 10 9 ar 25 16 4 ar 26 16 15 ar 27 4 17 ar 28 11 6 ar 29 14 15 2 30 17 18 ar 31 15 20 ar 32 18 20 ar 33 18 19 ar 34 20 5 ar 35 43 19 1 36 24 23 1 37 24 26 1 38 24 45 1 39 39 9 1 40 19 22 ar 41 9 8 ar 42 22 23 1 43 22 21 ar 44 5 21 ar 45 5 28 1 46 23 44 1 47 6 28 1 48 6 7 ar 49 51 28 1 50 48 26 1 51 26 27 1 52 8 7 ar 53 8 38 1 54 7 37 1 55 27 49 1 56 27 50 1