@MOLECULE [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono phosphate 43 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.6005 -0.3214 -1.3833 P.3 1 UNL1 0.4364 2 P -3.0194 1.7165 0.8481 P.3 1 UNL1 0.3741 3 O -1.1772 -0.8260 0.7598 O.3 1 UNL1 -0.1923 4 O 1.2329 -1.1144 -0.9538 O.2 1 UNL1 -0.2714 5 O -2.1001 -2.6022 3.6786 O.2 1 UNL1 -0.3315 6 O -0.0148 -0.4840 4.0029 O.2 1 UNL1 -0.2070 7 O -1.2340 -3.4650 -1.8929 O.2 1 UNL1 -0.2829 8 O -3.7221 -1.6875 -0.3890 O.3 1 UNL1 -0.1530 9 O 1.3694 -4.6281 -1.0753 O.2 1 UNL1 -0.2190 10 O -2.1249 -0.4998 -2.0480 O.2 1 UNL1 -0.3120 11 O -3.6432 0.8523 -0.4219 O.3 1 UNL1 -0.1464 12 O -4.4985 -0.5732 -2.4760 O.2 1 UNL1 -0.0606 13 O 8.4298 -0.6107 -0.9626 O.2 1 UNL1 -0.2867 14 O 5.2110 1.6068 1.5056 O.2 1 UNL1 -0.3348 15 O -2.5987 0.8825 1.9740 O.3 1 UNL1 -0.3681 16 O -3.9791 2.7827 0.6742 O.2 1 UNL1 -0.0268 17 O -1.6623 2.2958 0.1204 O.3 1 UNL1 -0.3926 18 N 0.0755 0.9984 1.1658 N.3 1 UNL1 -0.6006 19 N 3.1334 -2.2814 -0.3346 N.2 1 UNL1 -0.3055 20 N 1.3949 2.8510 0.9029 N.2 1 UNL1 -0.4854 21 N 6.8264 0.6165 0.3002 N.am 1 UNL1 -0.6021 22 N -0.4056 0.9700 -1.3534 N.pl3 1 UNL1 -0.5527 23 N 0.2325 2.9951 -2.5315 N.2 1 UNL1 -0.4013 24 N 0.9732 4.9522 -1.4290 N.2 1 UNL1 -0.0868 25 C -1.7275 -1.8804 2.8043 C.2 1 UNL1 0.4308 26 C -2.0667 -1.7476 1.4281 C.3 1 UNL1 -0.3294 27 C -0.6545 -0.7645 3.0531 C.2 1 UNL1 0.2966 28 C -0.5668 -0.0674 1.6613 C.3 1 UNL1 0.4711 29 C -0.2784 -2.8476 -1.5315 C.2 1 UNL1 0.3612 30 C -0.0765 -1.4146 -1.3662 C.2 1 UNL1 -0.1775 31 C 1.0673 -3.4812 -1.1212 C.2 1 UNL1 0.2946 32 C 1.9326 -2.2891 -0.7664 C.2 1 UNL1 0.2797 33 C -3.1459 -1.9722 0.6523 C.3 1 UNL1 0.4240 34 C -0.9118 -0.3545 -1.5559 C.2 1 UNL1 0.5442 35 C -0.4744 1.7201 -0.0691 C.3 1 UNL1 0.5233 36 C 1.1207 1.7816 1.8175 C.3 1 UNL1 0.6287 37 C 7.5571 -0.1013 -0.3767 C.1 1 UNL1 0.6148 38 C 3.8479 -1.2076 -0.0047 C.1 1 UNL1 0.1921 39 C 0.6263 2.8938 -0.1252 C.2 1 UNL1 0.2103 40 C 4.6229 -0.3331 0.3393 C.1 1 UNL1 -0.2789 41 C 0.6549 3.7324 -1.3488 C.2 1 UNL1 0.2098 42 C 5.5029 0.6989 0.7761 C.2 1 UNL1 0.6953 43 C -0.2190 1.8412 -2.3866 C.2 1 UNL1 0.4182 @BOND 1 23 43 2 2 23 41 1 3 12 1 2 4 43 22 1 5 10 34 1 6 10 1 1 7 7 29 2 8 34 30 2 9 34 22 1 10 29 30 1 11 29 31 1 12 24 41 2 13 1 11 1 14 1 8 1 15 30 4 1 16 22 35 1 17 41 39 1 18 31 9 2 19 31 32 1 20 13 37 2 21 4 32 1 22 32 19 2 23 11 2 1 24 8 33 1 25 37 21 2 26 19 38 1 27 39 35 1 28 39 20 2 29 35 17 1 30 35 18 1 31 38 40 3 32 17 2 1 33 21 42 1 34 40 42 1 35 33 26 1 36 16 2 2 37 3 26 1 38 3 28 1 39 42 14 2 40 2 15 1 41 20 36 1 42 18 28 1 43 18 36 1 44 26 25 1 45 28 27 1 46 25 27 1 47 25 5 2 48 27 6 2