@MOLECULE 4-{[(4ar,6r,7r,7ar)-6-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-hydroxy-2-oxidotetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl]oxy}-4-oxobutanoic acid 46 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 0.0198 -3.7977 0.5600 P.3 1 UNL1 0.3595 2 O -0.6968 -0.1520 -1.7042 O.3 1 UNL1 -0.4348 3 O 0.6159 -2.3183 0.8646 O.3 1 UNL1 -0.2398 4 O 1.9569 -0.0939 0.1288 O.3 1 UNL1 -0.3935 5 O -0.6842 -3.7742 -0.8938 O.3 1 UNL1 -0.3068 6 O -1.1716 -4.0127 1.5854 O.3 1 UNL1 -0.3161 7 O 1.0347 -4.8198 0.6535 O.2 1 UNL1 -0.1143 8 O 2.2751 2.1193 0.3051 O.2 1 UNL1 -0.5158 9 O -5.0904 3.6123 1.0443 O.2 1 UNL1 -0.3611 10 O 7.3115 2.5304 0.1673 O.3 1 UNL1 -0.5555 11 O 6.9307 0.4218 -0.4553 O.2 1 UNL1 -0.5016 12 N -1.1068 1.7526 -0.4473 N.ar 1 UNL1 -0.3803 13 N -3.1459 0.2988 -0.4805 N.ar 1 UNL1 -0.5345 14 N -2.0492 3.6197 0.4327 N.ar 1 UNL1 -0.2610 15 N -5.1342 1.4698 0.2834 N.ar 1 UNL1 -0.6149 16 N -5.2993 -0.6770 -0.6493 N.pl3 1 UNL1 -0.6097 17 C -0.1203 -1.2608 0.2725 C.3 1 UNL1 0.0405 18 C 0.5791 0.1089 0.3611 C.3 1 UNL1 0.0263 19 C -0.2106 -1.4231 -1.2700 C.3 1 UNL1 0.0147 20 C -0.0694 0.8410 -0.8810 C.3 1 UNL1 0.2543 21 C -1.1380 -2.5927 -1.5746 C.3 1 UNL1 -0.0442 22 C -2.4532 1.4826 -0.2518 C.ar 1 UNL1 0.2246 23 C -0.9074 3.0920 0.0031 C.ar 1 UNL1 0.0953 24 C -3.0303 2.6524 0.2895 C.ar 1 UNL1 -0.1674 25 C 2.7479 1.0169 0.2062 C.2 1 UNL1 0.6101 26 C 4.1818 0.6148 0.1174 C.3 1 UNL1 -0.3342 27 C -4.4650 2.6981 0.5869 C.ar 1 UNL1 0.6153 28 C -4.5534 0.4342 -0.2488 C.ar 1 UNL1 0.5663 29 C 5.0727 1.8504 0.1976 C.3 1 UNL1 -0.3372 30 C 6.4941 1.4750 -0.0736 C.2 1 UNL1 0.6401 31 H -1.1292 -1.1368 0.7519 H 1 UNL1 0.1463 32 H 0.4325 0.6446 1.3185 H 1 UNL1 0.1741 33 H 0.7912 -1.5583 -1.7477 H 1 UNL1 0.1731 34 H 0.6760 1.3695 -1.5241 H 1 UNL1 0.1768 35 H -2.1967 -2.4004 -1.3237 H 1 UNL1 0.1179 36 H -1.0800 -2.9230 -2.6363 H 1 UNL1 0.1600 37 H 0.0662 3.5591 -0.0170 H 1 UNL1 0.2118 38 H -2.7816 -0.3260 -1.1956 H 1 UNL1 0.3344 39 H -1.9309 -3.3589 1.3993 H 1 UNL1 0.2986 40 H 4.3709 0.0375 -0.8208 H 1 UNL1 0.2046 41 H 4.4297 -0.1163 0.9245 H 1 UNL1 0.2013 42 H 4.9817 2.3508 1.1905 H 1 UNL1 0.1982 43 H 4.7438 2.6369 -0.5241 H 1 UNL1 0.2011 44 H -6.2867 -0.6348 -0.4195 H 1 UNL1 0.3238 45 H -4.8903 -1.5853 -0.5404 H 1 UNL1 0.2929 46 H 8.2689 2.3392 -0.0005 H 1 UNL1 0.3606 @BOND 1 36 21 1 2 33 19 1 3 2 19 1 4 2 20 1 5 21 35 1 6 21 19 1 7 21 5 1 8 34 20 1 9 19 17 1 10 38 13 1 11 5 1 1 12 20 12 1 13 20 18 1 14 40 26 1 15 16 45 1 16 16 44 1 17 16 28 1 18 43 29 1 19 13 22 ar 20 13 28 ar 21 11 30 2 22 12 22 ar 23 12 23 ar 24 22 24 ar 25 28 15 ar 26 30 10 1 27 30 29 1 28 37 23 1 29 46 10 1 30 23 14 ar 31 26 29 1 32 26 25 1 33 26 41 1 34 4 25 1 35 4 18 1 36 29 42 1 37 25 8 2 38 17 18 1 39 17 31 1 40 17 3 1 41 15 27 ar 42 24 14 ar 43 24 27 ar 44 18 32 1 45 1 7 2 46 1 3 1 47 1 6 1 48 27 9 2 49 39 6 1