@MOLECULE 2-amino-8-(beta-d-ribofuranosyl)imidazo[1,2-a][1,3,5]triazin-4(8h)-one 33 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* -2.2570 -0.5651 0.9168 O.3 1 UNL1 -0.4172 2 O2* -0.9812 2.5135 -0.1233 O.3 1 UNL1 -0.5528 3 O3* -3.5897 2.2182 0.1265 O.3 1 UNL1 -0.5345 4 O5* -4.1018 -2.3980 -0.2872 O.3 1 UNL1 -0.5226 5 O 4.2492 -1.9360 -0.4410 O.2 1 UNL1 -0.4086 6 N 0.0201 -0.5986 0.4808 N.pl3 1 UNL1 -0.3519 7 N 2.1417 -1.1973 0.0570 N.am 1 UNL1 -0.4532 8 N 1.6750 1.1854 0.1976 N.2 1 UNL1 -0.6910 9 N 3.9272 0.3563 -0.2813 N.am 1 UNL1 -0.6642 10 N 3.5026 2.6290 -0.0093 N.pl3 1 UNL1 -0.5517 11 C1* -1.1359 0.2608 0.7553 C.3 1 UNL1 0.2568 12 C2* -1.4011 1.2199 -0.4475 C.3 1 UNL1 0.0339 13 C3* -2.9409 1.1989 -0.5862 C.3 1 UNL1 0.0912 14 C4* -3.3368 -0.1425 0.0679 C.3 1 UNL1 0.0198 15 C5* -3.5767 -1.2655 -0.9428 C.3 1 UNL1 -0.0455 16 C 1.2907 -0.1060 0.2517 C.3 1 UNL1 0.4694 17 C 0.0784 -2.0090 0.4393 C.2 1 UNL1 -0.0670 18 C 1.3818 -2.3748 0.1755 C.2 1 UNL1 -0.0205 19 C 3.5807 -0.9614 -0.2526 C.2 1 UNL1 0.7320 20 C 3.0349 1.3470 -0.0404 C.2 1 UNL1 0.6192 21 H1* -0.9773 0.7983 1.7273 H 1 UNL1 0.1790 22 H2* -0.8933 0.8918 -1.3793 H 1 UNL1 0.1510 23 H3* -3.2851 1.3050 -1.6357 H 1 UNL1 0.1528 24 H4* -4.1937 -0.0237 0.7732 H 1 UNL1 0.1874 25 H5*1 -2.6527 -1.5538 -1.4758 H 1 UNL1 0.1296 26 H5*2 -4.3674 -1.0053 -1.6733 H 1 UNL1 0.1556 27 H -0.8014 -2.6036 0.6067 H 1 UNL1 0.2009 28 H2* 0.0122 2.5021 -0.0105 H 1 UNL1 0.3714 29 H3* -2.9352 2.8797 0.4569 H 1 UNL1 0.3502 30 H 1.8408 -3.3440 0.0635 H 1 UNL1 0.2095 31 H5* -3.5239 -2.6437 0.4678 H 1 UNL1 0.3190 32 H 4.4392 2.8167 -0.3214 H 1 UNL1 0.3316 33 H 2.8605 3.3903 0.0837 H 1 UNL1 0.3203 @BOND 1 26 15 1 2 23 13 1 3 25 15 1 4 22 12 1 5 15 4 1 6 15 14 1 7 13 12 1 8 13 14 1 9 13 3 1 10 12 2 1 11 12 11 1 12 5 19 2 13 32 10 1 14 4 31 1 15 9 19 am 16 9 20 1 17 19 7 am 18 2 28 1 19 20 10 1 20 20 8 2 21 10 33 1 22 7 18 1 23 7 16 1 24 30 18 1 25 14 24 1 26 14 1 1 27 3 29 1 28 18 17 2 29 8 16 1 30 16 6 1 31 17 6 1 32 17 27 1 33 6 11 1 34 11 1 1 35 11 21 1