@MOLECULE 7-(6-deoxy-beta-d-allofuranosyl)-3,7-dihydro-6h-purin-6-one 34 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.0990 0.2840 -1.1158 O.3 1 UNL1 -0.3821 2 O 3.8545 1.3841 0.2430 O.3 1 UNL1 -0.5419 3 O 1.7938 2.7737 0.8403 O.3 1 UNL1 -0.5063 4 O 3.2762 -2.1388 0.3531 O.3 1 UNL1 -0.5658 5 O -2.2427 1.9230 -1.4063 O.2 1 UNL1 -0.4275 6 N -0.5661 0.1214 0.4967 N.ar 1 UNL1 -0.2653 7 N -1.5767 -1.5915 1.5926 N.ar 1 UNL1 -0.4185 8 N -3.8526 -1.2351 0.6455 N.ar 1 UNL1 -0.4684 9 N -4.0365 0.5880 -0.8948 N.ar 1 UNL1 -0.5307 10 C 2.3897 -0.1735 -0.7184 C.3 1 UNL1 0.0100 11 C 2.7701 0.5514 0.5839 C.3 1 UNL1 0.0464 12 C 1.5272 1.4103 0.9531 C.3 1 UNL1 0.0356 13 C 0.4518 0.9913 -0.0880 C.3 1 UNL1 0.2143 14 C 2.3079 -1.7113 -0.5761 C.3 1 UNL1 0.1429 15 C -1.9008 0.1232 0.0999 C.ar 1 UNL1 -0.2205 16 C 2.4834 -2.3975 -1.9220 C.3 1 UNL1 -0.4990 17 C -0.4101 -0.9377 1.3859 C.ar 1 UNL1 0.1322 18 C -2.5088 -0.9475 0.7966 C.ar 1 UNL1 0.2465 19 C -2.6729 0.9754 -0.7989 C.ar 1 UNL1 0.6033 20 C -4.5552 -0.4066 -0.2403 C.ar 1 UNL1 0.3063 21 H 3.0534 0.1381 -1.5584 H 1 UNL1 0.1740 22 H 3.0853 -0.1312 1.4006 H 1 UNL1 0.1595 23 H 1.1982 1.3024 2.0070 H 1 UNL1 0.1681 24 H -0.0483 1.8611 -0.6048 H 1 UNL1 0.2145 25 H 1.3539 -2.0211 -0.0877 H 1 UNL1 0.1532 26 H 2.4345 -3.4896 -1.8146 H 1 UNL1 0.1647 27 H 1.6855 -2.1003 -2.6191 H 1 UNL1 0.1747 28 H 3.4407 -2.1563 -2.3962 H 1 UNL1 0.1514 29 H 4.0876 1.9710 0.9983 H 1 UNL1 0.3322 30 H 2.2049 2.9842 -0.0371 H 1 UNL1 0.3363 31 H 0.5242 -1.1985 1.8652 H 1 UNL1 0.2035 32 H 4.1768 -2.1160 -0.0270 H 1 UNL1 0.3253 33 H -4.2695 -2.0017 1.1529 H 1 UNL1 0.3373 34 H -5.6266 -0.6450 -0.3664 H 1 UNL1 0.1942 @BOND 1 27 16 1 2 28 16 1 3 16 26 1 4 16 14 1 5 21 10 1 6 5 19 2 7 1 10 1 8 1 13 1 9 9 19 ar 10 9 20 ar 11 19 15 ar 12 10 14 1 13 10 11 1 14 24 13 1 15 14 25 1 16 14 4 1 17 34 20 1 18 20 8 ar 19 13 6 1 20 13 12 1 21 30 3 1 22 32 4 1 23 15 6 ar 24 15 18 ar 25 2 11 1 26 2 29 1 27 6 17 ar 28 11 12 1 29 11 22 1 30 8 18 ar 31 8 33 1 32 18 7 ar 33 3 12 1 34 12 23 1 35 17 7 ar 36 17 31 1