@MOLECULE (2s,3s,4r,5r)-5-{6-[(4-aminobenzyl)amino]-9h-purin-9-yl}-3,4-dihydroxy-n-methyltetrahydro-2-furancarboxamide (non-preferred name) 50 53 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.1815 0.9574 0.4722 C.3 1 UNL1 0.2400 2 C -3.3470 0.6723 -1.0531 C.3 1 UNL1 0.0356 3 C -4.6115 -0.8850 0.2796 C.3 1 UNL1 -0.0130 4 C -4.6276 -0.1955 -1.1034 C.3 1 UNL1 0.1060 5 C -1.2744 0.3244 2.0994 C.ar 1 UNL1 0.1379 6 C 0.5770 2.4633 -1.3430 C.ar 1 UNL1 0.3115 7 C 4.4990 0.1134 -1.0900 C.ar 1 UNL1 -0.0417 8 C 5.6816 -0.1855 0.9972 C.ar 1 UNL1 -0.0584 9 C 5.0687 -1.0451 -1.5946 C.ar 1 UNL1 -0.3043 10 C 6.2661 -1.3475 0.5130 C.ar 1 UNL1 -0.3093 11 C 4.1569 1.7976 0.7338 C.3 1 UNL1 -0.0659 12 C -1.8949 -3.5976 0.2928 C.3 1 UNL1 -0.2235 13 H -2.6854 2.3502 -1.7990 H 1 UNL1 0.3712 14 H -5.6170 1.4778 -1.4593 H 1 UNL1 0.3470 15 H 2.7956 0.8889 2.1066 H 1 UNL1 0.3316 16 H -2.0668 -1.5043 0.5456 H 1 UNL1 0.3136 17 H 6.2538 -3.3135 -2.1557 H 1 UNL1 0.2969 18 H 7.0853 -3.5204 -0.6992 H 1 UNL1 0.2962 19 C 1.6991 1.6169 0.5485 C.ar 1 UNL1 0.4614 20 C 4.7999 0.5493 0.2038 C.ar 1 UNL1 -0.1607 21 C 5.9644 -1.7826 -0.7930 C.ar 1 UNL1 0.2798 22 O -4.6434 -3.2630 0.0093 O.2 1 UNL1 -0.5167 23 O -3.5618 1.8711 -1.7365 O.3 1 UNL1 -0.5456 24 O -5.8114 0.5527 -1.1759 O.3 1 UNL1 -0.5300 25 C -3.9697 -2.2728 0.2039 C.2 1 UNL1 0.5305 26 O -3.8673 -0.0593 1.1757 O.3 1 UNL1 -0.4066 27 N 6.5916 -2.9075 -1.3105 N.pl3 1 UNL1 -0.6325 28 N -2.6013 -2.3169 0.2984 N.am 1 UNL1 -0.5652 29 N 0.0442 0.4719 2.1819 N.ar 1 UNL1 -0.3337 30 N -0.6661 2.0782 -0.9752 N.ar 1 UNL1 -0.5620 31 N 1.7271 2.2586 -0.6637 N.ar 1 UNL1 -0.5733 32 N 2.8272 1.4928 1.2879 N.pl3 1 UNL1 -0.4365 33 C -0.7029 1.4211 0.2153 C.ar 1 UNL1 0.2812 34 C 0.4414 1.1532 1.0335 C.ar 1 UNL1 -0.2016 35 N -1.7843 0.8747 0.8916 N.ar 1 UNL1 -0.3988 36 H -3.6273 1.9327 0.7950 H 1 UNL1 0.1785 37 H -2.4729 0.1414 -1.4900 H 1 UNL1 0.1570 38 H -5.6295 -0.9444 0.7356 H 1 UNL1 0.2033 39 H -4.6538 -0.9049 -1.9572 H 1 UNL1 0.1634 40 H -1.9225 -0.1458 2.8282 H 1 UNL1 0.2148 41 H 0.6683 2.9992 -2.3049 H 1 UNL1 0.1990 42 H 4.7619 2.2641 1.5473 H 1 UNL1 0.1515 43 H 4.0662 2.5737 -0.0698 H 1 UNL1 0.1856 44 H -1.5212 -3.8510 1.3003 H 1 UNL1 0.1394 45 H -2.5643 -4.4169 -0.0376 H 1 UNL1 0.1743 46 H -1.0406 -3.5520 -0.4050 H 1 UNL1 0.1431 47 H 3.8030 0.6921 -1.7045 H 1 UNL1 0.1660 48 H 5.9179 0.1512 2.0068 H 1 UNL1 0.1458 49 H 4.8350 -1.3775 -2.6005 H 1 UNL1 0.1598 50 H 6.9557 -1.9123 1.1306 H 1 UNL1 0.1578 @BOND 1 49 9 1 2 41 6 1 3 17 27 1 4 39 4 1 5 13 23 1 6 23 2 1 7 47 7 1 8 9 7 ar 9 9 21 ar 10 37 2 1 11 14 24 1 12 6 30 ar 13 6 31 ar 14 27 21 1 15 27 18 1 16 24 4 1 17 4 2 1 18 4 3 1 19 7 20 ar 20 2 1 1 21 30 33 ar 22 21 10 ar 23 31 19 ar 24 46 12 1 25 43 11 1 26 45 12 1 27 22 25 2 28 20 11 1 29 20 8 ar 30 25 3 1 31 25 28 am 32 33 35 ar 33 33 34 ar 34 3 38 1 35 3 26 1 36 12 28 1 37 12 44 1 38 28 16 1 39 1 36 1 40 1 35 1 41 1 26 1 42 10 8 ar 43 10 50 1 44 19 34 ar 45 19 32 1 46 11 32 1 47 11 42 1 48 35 5 ar 49 8 48 1 50 34 29 ar 51 32 15 1 52 5 29 ar 53 5 40 1