@MOLECULE (1s,2r,3s,4r)-2,3-dihydroxy-4-[7-{[(1r,2s)-2-phenylcyclopropyl]amino}-5-(propylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]cyclopentanecarboxamide 60 64 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.6864 0.5056 0.1553 C.3 1 UNL1 0.0443 2 C 4.7977 0.3739 1.2400 C.3 1 UNL1 0.0718 3 C 6.0525 -0.1681 0.5070 C.3 1 UNL1 0.1024 4 C 5.8123 0.0830 -0.9949 C.3 1 UNL1 -0.2315 5 C -3.2510 -1.7153 1.2782 C.3 1 UNL1 0.0540 6 C -4.0594 -2.3432 0.1386 C.3 1 UNL1 -0.1915 7 C -6.2921 -2.5292 -0.9096 C.ar 1 UNL1 -0.1679 8 C -5.5252 -0.3405 -0.2297 C.ar 1 UNL1 -0.1644 9 C -7.4865 -1.9719 -1.3570 C.ar 1 UNL1 -0.1410 10 C -6.7260 0.2120 -0.6703 C.ar 1 UNL1 -0.1426 11 C -7.7078 -0.6007 -1.2330 C.ar 1 UNL1 -0.1561 12 C -3.2027 2.6842 -0.1376 C.3 1 UNL1 -0.3137 13 C -3.9305 3.9989 -0.4019 C.3 1 UNL1 -0.2450 14 C -5.4437 3.7654 -0.3961 C.3 1 UNL1 -0.4375 15 H 5.3862 2.2679 1.1676 H 1 UNL1 0.3243 16 H 7.1868 0.8559 1.7783 H 1 UNL1 0.3465 17 H -1.3963 -2.7441 1.4152 H 1 UNL1 0.3359 18 H 8.4457 -1.6908 -2.1523 H 1 UNL1 0.3107 19 H 8.3242 -0.5869 -0.8473 H 1 UNL1 0.3201 20 C -1.0095 -0.8044 0.8850 C.ar 1 UNL1 0.4904 21 C -5.3098 -1.7149 -0.3364 C.ar 1 UNL1 0.0179 22 C -0.6951 1.4322 0.2272 C.ar 1 UNL1 0.3370 23 O 6.0180 -1.5230 -2.7831 O.2 1 UNL1 -0.5236 24 C 4.2937 -0.0033 -1.1723 C.3 1 UNL1 -0.2950 25 C -4.0368 -2.9857 1.5143 C.3 1 UNL1 -0.3423 26 O 5.0698 1.6127 1.8306 O.3 1 UNL1 -0.5293 27 O 7.2202 0.5447 0.8451 O.3 1 UNL1 -0.5823 28 C 6.5427 -0.9114 -1.8773 C.2 1 UNL1 0.5858 29 N 2.5003 -1.5820 0.8886 N.ar 1 UNL1 -0.0057 30 N 1.3098 -2.0036 1.0839 N.ar 1 UNL1 -0.1304 31 N 0.6556 1.3970 0.1526 N.ar 1 UNL1 -0.5083 32 N -1.5335 0.4180 0.5713 N.ar 1 UNL1 -0.5946 33 N -1.8148 -1.8340 1.2456 N.pl3 1 UNL1 -0.4439 34 S -1.3942 3.0032 -0.1889 S.3 1 UNL1 0.1529 35 C 1.1787 0.1899 0.4690 C.ar 1 UNL1 0.3036 36 C 0.4045 -0.9659 0.8437 C.ar 1 UNL1 -0.3002 37 N 7.8885 -1.0633 -1.6122 N.am 1 UNL1 -0.6939 38 N 2.4926 -0.2447 0.5200 N.ar 1 UNL1 -0.2476 39 H 3.3783 1.5881 0.0639 H 1 UNL1 0.1892 40 H 4.4902 -0.2526 2.1061 H 1 UNL1 0.1773 41 H 6.2353 -1.2385 0.7430 H 1 UNL1 0.1487 42 H 6.1798 1.1083 -1.2595 H 1 UNL1 0.1819 43 H -3.5846 -0.7588 1.7154 H 1 UNL1 0.1909 44 H -3.5003 -2.8324 -0.6732 H 1 UNL1 0.1810 45 H 3.9821 -1.0490 -1.3910 H 1 UNL1 0.1950 46 H 3.9404 0.5799 -2.0397 H 1 UNL1 0.1696 47 H -3.5319 -3.9373 1.6560 H 1 UNL1 0.1669 48 H -4.9275 -2.9472 2.1388 H 1 UNL1 0.1719 49 H -6.1222 -3.5998 -1.0034 H 1 UNL1 0.1528 50 H -4.7519 0.3029 0.1901 H 1 UNL1 0.1626 51 H -8.2487 -2.6075 -1.8031 H 1 UNL1 0.1481 52 H -6.8975 1.2825 -0.5747 H 1 UNL1 0.1470 53 H -8.6438 -0.1674 -1.5775 H 1 UNL1 0.1479 54 H -3.4839 2.2581 0.8442 H 1 UNL1 0.1707 55 H -3.4670 1.9187 -0.8928 H 1 UNL1 0.1714 56 H -3.6742 4.7595 0.3633 H 1 UNL1 0.1422 57 H -3.6328 4.4343 -1.3777 H 1 UNL1 0.1432 58 H -5.7836 3.3517 0.5605 H 1 UNL1 0.1457 59 H -5.9887 4.7020 -0.5587 H 1 UNL1 0.1404 60 H -5.7439 3.0717 -1.1908 H 1 UNL1 0.1468 @BOND 1 23 28 2 2 18 37 1 3 46 24 1 4 28 37 am 5 28 4 1 6 51 9 1 7 37 19 1 8 53 11 1 9 45 24 1 10 57 13 1 11 9 11 ar 12 9 7 ar 13 42 4 1 14 11 10 ar 15 60 14 1 16 24 4 1 17 24 1 1 18 49 7 1 19 4 3 1 20 7 21 ar 21 55 12 1 22 44 6 1 23 10 52 1 24 10 8 ar 25 59 14 1 26 13 14 1 27 13 12 1 28 13 56 1 29 14 58 1 30 21 8 ar 31 21 6 1 32 8 50 1 33 34 12 1 34 34 22 1 35 12 54 1 36 39 1 1 37 6 5 1 38 6 25 1 39 31 22 ar 40 31 35 ar 41 1 38 1 42 1 2 1 43 22 32 ar 44 35 38 ar 45 35 36 ar 46 3 41 1 47 3 27 1 48 3 2 1 49 38 29 ar 50 32 20 ar 51 36 20 ar 52 36 30 ar 53 27 16 1 54 20 33 1 55 29 30 ar 56 15 26 1 57 2 26 1 58 2 40 1 59 33 5 1 60 33 17 1 61 5 25 1 62 5 43 1 63 25 47 1 64 25 48 1