@MOLECULE (1s)-1,4-anhydro-1-[7-oxo(1,6-~2~h_2_)-6,7-dihydro-1h-pyrazolo[4,3-d]pyrimidin-3-yl]-d-(o~2~,o~3~,o~5~-~2~h_3_)ribitol 19 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.9234 -1.0473 0.0138 O.2 1 UNL1 -0.0885 2 O 0.7569 2.2742 0.0091 O.2 1 UNL1 -0.1853 3 O 3.7117 2.0118 -0.0148 O.2 1 UNL1 -0.3378 4 O 5.2780 -1.5553 -0.0152 O.2 1 UNL1 -0.1432 5 O -5.1113 -1.1891 -0.0238 O.2 1 UNL1 -0.1136 6 N -0.6326 -2.0865 0.0139 N.2 1 UNL1 -0.0844 7 N -1.8245 1.2988 0.0075 N.2 1 UNL1 -0.3579 8 N -1.8533 -2.3287 0.0083 N.2 1 UNL1 -0.0151 9 N -3.9735 2.5921 -0.0034 N.1 1 UNL1 -0.2464 10 C 1.3782 1.2629 0.0056 C.2 1 UNL1 0.2878 11 C 0.8859 -0.1562 0.0107 C.2 1 UNL1 0.1574 12 C 2.9153 1.1220 -0.0047 C.2 1 UNL1 0.3992 13 C 3.1336 -0.3117 0.0003 C.2 1 UNL1 -0.3727 14 C -0.3606 -0.6634 0.0110 C.2 1 UNL1 -0.1221 15 C 4.2721 -0.9961 -0.0075 C.1 1 UNL1 0.5368 16 C -1.6867 0.0187 0.0056 C.2 1 UNL1 0.3327 17 C -2.6328 -1.1078 0.0001 C.2 1 UNL1 -0.4384 18 C -3.9642 -1.1470 -0.0122 C.1 1 UNL1 0.5721 19 C -3.0171 1.9314 0.0018 C.1 1 UNL1 0.2192 @BOND 1 5 18 2 2 4 15 2 3 3 12 2 4 18 17 2 5 15 13 2 6 12 13 1 7 12 10 1 8 9 19 3 9 17 16 1 10 17 8 1 11 13 1 1 12 19 7 1 13 10 2 2 14 10 11 1 15 16 7 2 16 16 14 1 17 8 6 2 18 11 14 2 19 11 1 1 20 14 6 1