@MOLECULE (5r)-5-(7-amino-2h-pyrazolo[4,3-d]pyrimidin-3-yl)-2,5-anhydro-1-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-d-ribitol 47 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 3.0927 -1.7591 -0.7287 P.3 1 UNL1 0.3810 2 P 2.4835 1.2220 -1.0875 P.3 1 UNL1 0.4103 3 P 4.0570 1.9176 1.4635 P.3 1 UNL1 0.4094 4 O -1.0101 -1.1360 0.6514 O.3 1 UNL1 -0.4345 5 O -3.6349 -3.1123 1.3725 O.3 1 UNL1 -0.5221 6 O -1.6569 -4.5344 0.6612 O.3 1 UNL1 -0.5314 7 O 1.7302 -2.2720 -0.1033 O.3 1 UNL1 -0.2142 8 O 2.8953 -0.2915 -1.2685 O.3 1 UNL1 -0.2965 9 O 3.1753 -2.4847 -2.1476 O.3 1 UNL1 -0.3459 10 O 4.1701 -1.9993 0.2114 O.2 1 UNL1 -0.2465 11 O 2.9968 1.6079 0.3347 O.3 1 UNL1 -0.2704 12 O 0.9243 1.2144 -0.7817 O.3 1 UNL1 -0.3405 13 O 2.8483 1.9238 -2.2940 O.2 1 UNL1 -0.1710 14 O 4.7945 3.2567 1.0492 O.3 1 UNL1 -0.2948 15 O 5.2394 0.8697 1.3702 O.3 1 UNL1 -0.3796 16 O 3.2887 2.0332 2.6837 O.2 1 UNL1 -0.1828 17 N -2.3481 0.8079 -0.7242 N.ar 1 UNL1 -0.0774 18 N -3.1019 1.8183 -1.1732 N.ar 1 UNL1 -0.2119 19 N -5.3577 0.2216 1.1421 N.ar 1 UNL1 -0.4453 20 N -6.5621 2.0979 0.2092 N.ar 1 UNL1 -0.5736 21 N -5.6957 3.5191 -1.4176 N.pl3 1 UNL1 -0.5685 22 C -2.9649 -2.4941 0.3006 C.3 1 UNL1 0.0449 23 C -1.7046 -3.3338 -0.0547 C.3 1 UNL1 0.0512 24 C -2.4142 -1.1677 0.8730 C.3 1 UNL1 0.1129 25 C -0.5126 -2.4341 0.3283 C.3 1 UNL1 0.0407 26 C -2.9991 0.0158 0.2078 C.ar 1 UNL1 -0.0967 27 C 0.4799 -2.2452 -0.8266 C.3 1 UNL1 -0.0623 28 C -4.2879 0.5632 0.3635 C.ar 1 UNL1 0.1105 29 C -4.3085 1.7014 -0.5406 C.ar 1 UNL1 -0.1774 30 C -5.5326 2.4547 -0.5837 C.ar 1 UNL1 0.4591 31 C -6.4246 1.0061 1.0356 C.ar 1 UNL1 0.2742 32 H -4.2720 -3.7812 1.0354 H 1 UNL1 0.3286 33 H -1.9756 -4.3981 1.5885 H 1 UNL1 0.3371 34 H 3.6447 -1.8503 -2.8090 H 1 UNL1 0.3274 35 H 0.7606 0.8315 0.1648 H 1 UNL1 0.3382 36 H 5.4029 3.0659 0.2413 H 1 UNL1 0.3127 37 H 4.8585 -0.0790 1.2329 H 1 UNL1 0.3550 38 H -1.3703 0.7468 -0.9857 H 1 UNL1 0.3581 39 H -6.5520 4.0408 -1.4079 H 1 UNL1 0.3259 40 H -4.9426 3.8272 -1.9984 H 1 UNL1 0.3235 41 H -3.6468 -2.3498 -0.5604 H 1 UNL1 0.1416 42 H -1.6898 -3.6732 -1.1109 H 1 UNL1 0.1506 43 H -2.5753 -1.1257 1.9840 H 1 UNL1 0.1890 44 H 0.0006 -2.8034 1.2509 H 1 UNL1 0.1744 45 H 0.4507 -3.0964 -1.5362 H 1 UNL1 0.1356 46 H 0.2661 -1.3079 -1.3806 H 1 UNL1 0.1528 47 H -7.3043 0.7786 1.6618 H 1 UNL1 0.1984 @BOND 1 34 9 1 2 13 2 2 3 9 1 1 4 40 21 1 5 45 27 1 6 21 39 1 7 21 30 1 8 46 27 1 9 8 2 1 10 8 1 1 11 18 17 ar 12 18 29 ar 13 42 23 1 14 2 12 1 15 2 11 1 16 38 17 1 17 27 7 1 18 27 25 1 19 12 35 1 20 1 7 1 21 1 10 2 22 17 26 ar 23 30 29 ar 24 30 20 ar 25 41 22 1 26 29 28 ar 27 23 22 1 28 23 25 1 29 23 6 1 30 26 28 ar 31 26 24 1 32 20 31 ar 33 36 14 1 34 22 24 1 35 22 5 1 36 25 4 1 37 25 44 1 38 11 3 1 39 28 19 ar 40 4 24 1 41 6 33 1 42 24 43 1 43 32 5 1 44 31 19 ar 45 31 47 1 46 14 3 1 47 37 15 1 48 15 3 1 49 3 16 2