@MOLECULE 7-(5-o-phosphono-beta-d-ribofuranosyl)-1,7-dihydro-4h-imidazo[4,5-d][1,2,3]triazin-4-one 35 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 4.1064 1.2095 -0.0935 P.3 1 UNL1 0.3643 2 O 0.6299 -1.1150 1.2860 O.3 1 UNL1 -0.3531 3 O -1.5349 -3.2913 -0.3044 O.3 1 UNL1 -0.5375 4 O 0.9999 -3.8267 0.0413 O.3 1 UNL1 -0.5409 5 O 2.7844 0.4491 0.3581 O.3 1 UNL1 -0.2065 6 O 3.6874 2.2662 -1.2187 O.3 1 UNL1 -0.4238 7 O 4.8431 0.1297 -1.0092 O.3 1 UNL1 -0.3423 8 O 4.7810 1.7100 1.0867 O.2 1 UNL1 -0.2358 9 O -4.6030 3.0849 -0.3290 O.2 1 UNL1 -0.3335 10 N -1.3542 -0.0887 0.6955 N.ar 1 UNL1 -0.3887 11 N -1.7609 2.1422 0.6732 N.ar 1 UNL1 -0.2880 12 N -3.5984 -0.8345 -0.1686 N.ar 1 UNL1 -0.4125 13 N -4.7968 -0.3459 -0.6145 N.ar 1 UNL1 0.1696 14 N -5.0559 0.8542 -0.6393 N.ar 1 UNL1 -0.3121 15 C -0.6731 -2.2062 -0.4201 C.3 1 UNL1 0.0459 16 C 0.8255 -2.5767 -0.5869 C.3 1 UNL1 0.0492 17 C -0.6921 -1.3758 0.9043 C.3 1 UNL1 0.2216 18 C 1.5495 -1.5144 0.2666 C.3 1 UNL1 0.0377 19 C 1.9513 -0.2837 -0.5620 C.3 1 UNL1 -0.0821 20 C -2.6464 0.0819 0.2326 C.ar 1 UNL1 0.1823 21 C -0.8514 1.2152 0.9629 C.ar 1 UNL1 0.1228 22 C -2.8928 1.4811 0.2174 C.ar 1 UNL1 -0.1744 23 C -4.1790 1.9717 -0.2365 C.ar 1 UNL1 0.5426 24 H -1.0630 -1.6438 -1.2972 H 1 UNL1 0.1653 25 H 1.1505 -2.6121 -1.6408 H 1 UNL1 0.1401 26 H -1.1635 -1.9169 1.7644 H 1 UNL1 0.1756 27 H 2.4018 -1.9297 0.8555 H 1 UNL1 0.1950 28 H 1.0764 0.3694 -0.7723 H 1 UNL1 0.1467 29 H 2.4105 -0.5825 -1.5236 H 1 UNL1 0.1464 30 H -1.0913 -4.0428 0.1697 H 1 UNL1 0.3562 31 H 1.4907 -4.4496 -0.5333 H 1 UNL1 0.3316 32 H 0.1470 1.3715 1.3541 H 1 UNL1 0.2233 33 H -3.4169 -1.8336 -0.2286 H 1 UNL1 0.3585 34 H 3.2990 3.1003 -0.7761 H 1 UNL1 0.3342 35 H 5.5100 0.6226 -1.6148 H 1 UNL1 0.3224 @BOND 1 25 16 1 2 35 7 1 3 29 19 1 4 24 15 1 5 6 34 1 6 6 1 1 7 7 1 1 8 28 19 1 9 14 13 ar 10 14 23 ar 11 13 12 ar 12 16 15 1 13 16 4 1 14 16 18 1 15 19 18 1 16 19 5 1 17 31 4 1 18 15 3 1 19 15 17 1 20 9 23 2 21 3 30 1 22 23 22 ar 23 33 12 1 24 12 20 ar 25 1 5 1 26 1 8 2 27 22 20 ar 28 22 11 ar 29 20 10 ar 30 18 27 1 31 18 2 1 32 11 21 ar 33 10 17 1 34 10 21 ar 35 17 2 1 36 17 26 1 37 21 32 1