@MOLECULE 2-amino-9-[(1r,2r,3s,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,9-dihydro-6h-purin-6-one 35 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.4304 1.9808 0.7736 O.3 1 UNL1 -0.5606 2 O 2.1732 0.2270 1.5708 O.3 1 UNL1 -0.5706 3 O 4.6277 -0.9052 1.0913 O.3 1 UNL1 -0.5774 4 O -3.8283 -2.2957 0.6229 O.2 1 UNL1 -0.3760 5 N 0.1036 -0.2680 -0.7970 N.ar 1 UNL1 -0.3029 6 N -1.8915 1.2049 -0.4461 N.ar 1 UNL1 -0.5283 7 N -0.8516 -2.2493 -0.2319 N.ar 1 UNL1 -0.2707 8 N -3.8446 -0.0438 0.3104 N.ar 1 UNL1 -0.6244 9 N -3.8902 2.2932 0.2159 N.pl3 1 UNL1 -0.6051 10 C 1.0523 0.7370 -1.2526 C.3 1 UNL1 0.0247 11 C 3.3967 0.2404 -0.5597 C.3 1 UNL1 -0.1972 12 C 2.3946 0.1396 -1.7275 C.3 1 UNL1 -0.3108 13 C 1.4776 1.7177 -0.1068 C.3 1 UNL1 0.1004 14 C 2.7058 1.0540 0.5649 C.3 1 UNL1 0.1128 15 C 3.8214 -1.1426 -0.0526 C.3 1 UNL1 0.0064 16 C -1.2109 -0.0112 -0.4373 C.ar 1 UNL1 0.2022 17 C 0.2791 -1.6648 -0.6353 C.ar 1 UNL1 0.0672 18 C -1.7986 -1.2537 -0.1020 C.ar 1 UNL1 -0.1697 19 C -3.2046 -1.3195 0.3113 C.ar 1 UNL1 0.6232 20 C -3.2345 1.0765 0.0373 C.ar 1 UNL1 0.5741 21 H 0.5594 1.3100 -2.0831 H 1 UNL1 0.1575 22 H 4.3088 0.7904 -0.8888 H 1 UNL1 0.1544 23 H 2.7638 0.7130 -2.5994 H 1 UNL1 0.1575 24 H 2.2826 -0.8915 -2.1020 H 1 UNL1 0.1631 25 H 1.7286 2.7168 -0.5270 H 1 UNL1 0.1496 26 H 3.3884 1.7867 1.0389 H 1 UNL1 0.1347 27 H 4.3707 -1.7122 -0.8178 H 1 UNL1 0.1148 28 H 2.9600 -1.7385 0.3146 H 1 UNL1 0.1508 29 H 0.3967 1.2884 1.4873 H 1 UNL1 0.3671 30 H 2.9006 -0.2172 2.0672 H 1 UNL1 0.3596 31 H 1.2102 -2.1651 -0.8192 H 1 UNL1 0.1852 32 H 5.4762 -1.3784 1.0403 H 1 UNL1 0.3287 33 H -1.3439 2.0388 -0.2184 H 1 UNL1 0.3414 34 H -3.6492 3.0607 -0.3813 H 1 UNL1 0.2965 35 H -4.8753 2.2266 0.4409 H 1 UNL1 0.3218 @BOND 1 23 12 1 2 24 12 1 3 21 10 1 4 12 10 1 5 12 11 1 6 10 5 1 7 10 13 1 8 22 11 1 9 31 17 1 10 27 15 1 11 5 17 ar 12 5 16 ar 13 17 7 ar 14 11 15 1 15 11 14 1 16 25 13 1 17 6 16 ar 18 6 33 1 19 6 20 ar 20 16 18 ar 21 34 9 1 22 7 18 ar 23 13 14 1 24 13 1 1 25 18 19 ar 26 15 28 1 27 15 3 1 28 20 9 1 29 20 8 ar 30 9 35 1 31 8 19 ar 32 19 4 2 33 14 26 1 34 14 2 1 35 1 29 1 36 32 3 1 37 2 30 1