@MOLECULE [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2r,3s,4r,5s)-5-(5-carbamoyl-3-pyridinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred name) 71 75 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 3.6829 0.4570 -0.8426 P.3 1 UNL1 0.3846 2 P 3.4073 -2.5232 0.0887 P.3 1 UNL1 0.2739 3 O -0.6741 0.9359 -3.2411 O.3 1 UNL1 -0.3575 4 O 0.2527 -1.6288 3.0357 O.3 1 UNL1 -0.3927 5 O 0.3772 3.8107 -2.6096 O.3 1 UNL1 -0.5801 6 O -1.9272 3.6512 -1.4587 O.3 1 UNL1 -0.5581 7 O -2.0627 -3.5101 2.6853 O.3 1 UNL1 -0.5349 8 O -3.1247 -1.0969 2.5786 O.3 1 UNL1 -0.5313 9 O 2.2015 0.9633 -1.1488 O.3 1 UNL1 -0.3179 10 O 2.2200 -2.2082 1.1258 O.3 1 UNL1 -0.2830 11 O 3.8939 -0.9104 -0.2452 O.3 1 UNL1 -0.1503 12 O 4.4793 0.7293 -2.1935 O.3 1 UNL1 -0.3190 13 O 4.1561 1.6460 0.0859 O.3 1 UNL1 -0.2729 14 O 4.6178 -2.5975 0.9129 O.3 1 UNL1 -0.1557 15 O 3.0066 -3.2219 -1.1212 O.2 1 UNL1 -0.3104 16 O -1.1919 4.9417 3.3885 O.2 1 UNL1 -0.5051 17 N -2.5864 0.4799 -1.9633 N.ar 1 UNL1 -0.3939 18 N -4.5413 -0.4218 -1.2073 N.ar 1 UNL1 -0.3179 19 N 1.6960 1.9647 1.8902 N.ar 1 UNL1 -0.4117 20 N -1.2645 -1.6331 -2.1233 N.ar 1 UNL1 -0.5051 21 N -2.5572 -3.5915 -1.5247 N.ar 1 UNL1 -0.5786 22 N -4.7679 -3.4953 -0.7695 N.pl3 1 UNL1 -0.5414 23 N -1.9797 4.6722 1.2979 N.am 1 UNL1 -0.6808 24 C 0.3005 2.6277 -1.8414 C.3 1 UNL1 0.0620 25 C -1.1889 2.4668 -1.4568 C.3 1 UNL1 0.0650 26 C 0.5820 1.4104 -2.7433 C.3 1 UNL1 0.0273 27 C -1.7509 1.5213 -2.5598 C.3 1 UNL1 0.2417 28 C -1.4144 -2.6796 1.7556 C.3 1 UNL1 0.0348 29 C -1.8643 -1.2081 1.9875 C.3 1 UNL1 0.0490 30 C 0.1013 -2.6089 2.0124 C.3 1 UNL1 0.0238 31 C -0.7876 -0.6592 2.9626 C.3 1 UNL1 0.0474 32 C 1.2603 0.2562 -1.9804 C.3 1 UNL1 -0.0256 33 C 0.8447 -2.1920 0.7318 C.3 1 UNL1 -0.0584 34 C -0.2184 0.6578 2.5455 C.ar 1 UNL1 -0.1426 35 C -2.3701 -0.8859 -1.8723 C.ar 1 UNL1 0.3050 36 C -3.9342 0.7062 -1.5507 C.ar 1 UNL1 0.1271 37 C -1.0205 1.7962 2.5340 C.ar 1 UNL1 -0.0686 38 C 1.1463 0.7856 2.2318 C.ar 1 UNL1 0.1002 39 C -3.6107 -1.4397 -1.3939 C.ar 1 UNL1 -0.2158 40 C -0.4344 3.0219 2.2224 C.ar 1 UNL1 -0.2161 41 C -3.6672 -2.8482 -1.2246 C.ar 1 UNL1 0.4620 42 C 0.9250 3.0695 1.8941 C.ar 1 UNL1 0.0649 43 C -1.4370 -2.9603 -1.9553 C.ar 1 UNL1 0.2820 44 C -1.2115 4.2814 2.3698 C.2 1 UNL1 0.5826 45 H 0.9653 2.7243 -0.9576 H 1 UNL1 0.1679 46 H -1.3202 2.0577 -0.4300 H 1 UNL1 0.1674 47 H 1.1373 1.6902 -3.6640 H 1 UNL1 0.1624 48 H -2.3501 2.0682 -3.3349 H 1 UNL1 0.1667 49 H -1.7169 -3.1042 0.7808 H 1 UNL1 0.1717 50 H -1.9398 -0.6266 1.0469 H 1 UNL1 0.1490 51 H 0.5380 -3.5235 2.4666 H 1 UNL1 0.1757 52 H -1.1852 -0.6038 4.0058 H 1 UNL1 0.1677 53 H 1.6562 -0.5074 -2.6770 H 1 UNL1 0.1655 54 H 0.5475 -0.2482 -1.2917 H 1 UNL1 0.1624 55 H 0.5780 -1.1506 0.4514 H 1 UNL1 0.1277 56 H 0.5785 -2.8686 -0.1066 H 1 UNL1 0.1451 57 H 1.3102 4.0851 -2.7251 H 1 UNL1 0.3448 58 H -1.5445 4.3065 -2.0956 H 1 UNL1 0.3614 59 H -1.6645 -3.4061 3.5804 H 1 UNL1 0.3280 60 H -3.4408 -1.9816 2.8874 H 1 UNL1 0.3399 61 H -4.3569 1.7002 -1.5192 H 1 UNL1 0.2050 62 H -2.0837 1.7330 2.7872 H 1 UNL1 0.1845 63 H 1.8267 -0.0882 2.2664 H 1 UNL1 0.2251 64 H 3.4285 1.7478 0.8480 H 1 UNL1 0.3649 65 H 1.4253 4.0119 1.6427 H 1 UNL1 0.1738 66 H -0.5675 -3.6086 -2.1818 H 1 UNL1 0.2127 67 H 5.3053 0.1087 -2.1963 H 1 UNL1 0.3275 68 H -4.7622 -4.4907 -0.6474 H 1 UNL1 0.3262 69 H -5.5892 -2.9755 -0.5211 H 1 UNL1 0.3299 70 H -2.5105 5.5195 1.3485 H 1 UNL1 0.3130 71 H -1.9784 4.1869 0.4252 H 1 UNL1 0.3260 @BOND 1 47 26 1 2 48 27 1 3 3 26 1 4 3 27 1 5 26 32 1 6 26 24 1 7 57 5 1 8 53 32 1 9 5 24 1 10 27 17 1 11 27 25 1 12 67 12 1 13 12 1 1 14 66 43 1 15 20 43 ar 16 20 35 ar 17 58 6 1 18 32 54 1 19 32 9 1 20 17 35 ar 21 17 36 ar 22 43 21 ar 23 35 39 ar 24 24 25 1 25 24 45 1 26 36 61 1 27 36 18 ar 28 21 41 ar 29 6 25 1 30 25 46 1 31 39 41 ar 32 39 18 ar 33 41 22 1 34 9 1 1 35 15 2 2 36 1 11 1 37 1 13 1 38 22 68 1 39 22 69 1 40 11 2 1 41 56 33 1 42 13 64 1 43 2 14 1 44 2 10 1 45 71 23 1 46 55 33 1 47 33 10 1 48 33 30 1 49 49 28 1 50 50 29 1 51 23 70 1 52 23 44 am 53 65 42 1 54 28 29 1 55 28 30 1 56 28 7 1 57 19 42 ar 58 19 38 ar 59 42 40 ar 60 29 8 1 61 29 31 1 62 30 51 1 63 30 4 1 64 40 44 1 65 40 37 ar 66 38 63 1 67 38 34 ar 68 44 16 2 69 37 34 ar 70 37 62 1 71 34 31 1 72 8 60 1 73 7 59 1 74 31 4 1 75 31 52 1