@MOLECULE [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl [[5-(3-carbamoyl-4h-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate 78 82 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.6581 -4.3817 -0.8444 P.3 1 UNL1 0.3784 2 P -0.1075 -0.4565 -2.2567 P.3 1 UNL1 0.3584 3 P 0.2623 1.9636 -0.3795 P.3 1 UNL1 0.3629 4 O -2.7943 -0.4404 1.0646 O.3 1 UNL1 -0.4056 5 O 5.0918 1.2397 0.5964 O.3 1 UNL1 -0.4423 6 O -4.5068 -3.2604 0.3026 O.3 1 UNL1 -0.3827 7 O -6.1486 -0.4681 1.1384 O.3 1 UNL1 -0.5337 8 O 4.0431 2.1726 -2.6435 O.3 1 UNL1 -0.5659 9 O 6.5963 2.3473 -2.2075 O.3 1 UNL1 -0.5435 10 O -1.3192 -1.2474 -1.6085 O.3 1 UNL1 -0.2278 11 O 1.8295 2.1014 -0.2037 O.3 1 UNL1 -0.2287 12 O -0.0036 0.9651 -1.5712 O.3 1 UNL1 -0.3177 13 O -4.9938 -5.5901 0.1438 O.3 1 UNL1 -0.3515 14 O -6.0626 -4.1210 -1.5340 O.3 1 UNL1 -0.3081 15 O -3.5654 -4.5057 -1.7815 O.2 1 UNL1 -0.2074 16 O -0.5693 0.0726 -3.6875 O.3 1 UNL1 -0.3264 17 O -0.2443 1.2648 0.9420 O.3 1 UNL1 -0.3171 18 O 1.0507 -1.3258 -2.2974 O.2 1 UNL1 -0.2095 19 O -0.2554 3.2544 -0.7992 O.2 1 UNL1 -0.2077 20 O 7.0022 -4.1359 2.3928 O.2 1 UNL1 -0.5288 21 N -4.3064 1.0390 2.0354 N.ar 1 UNL1 -0.3706 22 N 7.1030 0.1000 0.3068 N.pl3 1 UNL1 -0.4063 23 N -5.5486 2.7796 2.8358 N.ar 1 UNL1 -0.3306 24 N -3.4170 2.1624 -0.0075 N.ar 1 UNL1 -0.5234 25 N -4.1856 4.4428 -0.2420 N.ar 1 UNL1 -0.5761 26 N -5.6249 5.4782 1.2843 N.pl3 1 UNL1 -0.5538 27 N 5.2945 -2.7896 2.9422 N.am 1 UNL1 -0.7112 28 C -4.4586 -1.8596 0.0492 C.3 1 UNL1 0.0692 29 C -5.0264 -1.2782 1.3699 C.3 1 UNL1 0.0268 30 C -2.9894 -1.3853 -0.0013 C.3 1 UNL1 0.0605 31 C -3.8981 -0.3582 1.9228 C.3 1 UNL1 0.2810 32 C 4.4488 1.2140 -1.6956 C.3 1 UNL1 0.0543 33 C 5.9954 1.2112 -1.6493 C.3 1 UNL1 0.0606 34 C 4.0481 1.6674 -0.2749 C.3 1 UNL1 0.0252 35 C 6.3274 1.2611 -0.1186 C.3 1 UNL1 0.2409 36 C -2.6197 -0.6930 -1.3190 C.3 1 UNL1 -0.0679 37 C 2.7330 1.0655 0.2480 C.3 1 UNL1 -0.0506 38 C -4.1590 2.0735 1.1234 C.ar 1 UNL1 0.3217 39 C -5.1935 1.5184 3.0445 C.ar 1 UNL1 0.1330 40 C 6.4643 -0.9586 0.9494 C.2 1 UNL1 0.1108 41 C 8.4832 0.3057 0.5468 C.2 1 UNL1 0.0075 42 C -4.9289 3.1699 1.6510 C.ar 1 UNL1 -0.2222 43 C 7.1556 -1.8675 1.6739 C.2 1 UNL1 -0.2727 44 C 8.6411 -1.8081 1.8492 C.3 1 UNL1 -0.2207 45 C 9.2231 -0.5794 1.2330 C.2 1 UNL1 -0.2212 46 C -4.9266 4.3768 0.9055 C.ar 1 UNL1 0.4663 47 C -3.4641 3.3629 -0.6248 C.ar 1 UNL1 0.3135 48 C 6.5222 -3.0210 2.3324 C.2 1 UNL1 0.6111 49 H -6.8527 -0.9802 0.6851 H 1 UNL1 0.3294 50 H 3.0598 2.2466 -2.6078 H 1 UNL1 0.3574 51 H 5.9166 2.9704 -2.5572 H 1 UNL1 0.3483 52 H -4.1632 -5.7947 0.7098 H 1 UNL1 0.3279 53 H -6.8130 -4.4332 -0.9037 H 1 UNL1 0.3148 54 H -0.8610 1.0575 -3.6103 H 1 UNL1 0.3256 55 H -1.2764 1.1615 0.8619 H 1 UNL1 0.3515 56 H -5.5943 6.3172 0.7388 H 1 UNL1 0.3238 57 H -6.1637 5.4615 2.1317 H 1 UNL1 0.3289 58 H 4.8411 -3.5207 3.4488 H 1 UNL1 0.3096 59 H 4.8811 -1.8882 2.9684 H 1 UNL1 0.2992 60 H -5.0546 -1.5091 -0.8248 H 1 UNL1 0.1551 61 H -5.3016 -2.0766 2.0946 H 1 UNL1 0.1546 62 H -2.2645 -2.2052 0.2398 H 1 UNL1 0.1831 63 H -3.5297 -0.6893 2.9310 H 1 UNL1 0.1497 64 H 4.0267 0.2303 -1.9885 H 1 UNL1 0.1574 65 H 6.4589 0.3458 -2.1652 H 1 UNL1 0.1659 66 H 4.0129 2.7850 -0.2184 H 1 UNL1 0.1615 67 H 6.8428 2.2176 0.1477 H 1 UNL1 0.1569 68 H -3.2783 -1.0178 -2.1517 H 1 UNL1 0.1398 69 H -2.6899 0.4110 -1.2130 H 1 UNL1 0.1880 70 H 2.5439 0.0516 -0.1501 H 1 UNL1 0.1552 71 H 2.7221 1.0258 1.3561 H 1 UNL1 0.1461 72 H -5.5081 0.8960 3.8678 H 1 UNL1 0.1946 73 H 5.3813 -1.0222 0.7862 H 1 UNL1 0.1699 74 H 8.8999 1.2026 0.0847 H 1 UNL1 0.1607 75 H 9.1002 -2.7220 1.3971 H 1 UNL1 0.1702 76 H 8.9051 -1.8633 2.9299 H 1 UNL1 0.1531 77 H 10.2911 -0.4439 1.3676 H 1 UNL1 0.1571 78 H -2.8501 3.4848 -1.5397 H 1 UNL1 0.2139 @BOND 1 16 54 1 2 16 2 1 3 8 50 1 4 8 32 1 5 51 9 1 6 18 2 2 7 2 10 1 8 2 12 1 9 9 33 1 10 65 33 1 11 68 36 1 12 64 32 1 13 15 1 2 14 32 33 1 15 32 34 1 16 33 35 1 17 10 36 1 18 12 3 1 19 78 47 1 20 14 53 1 21 14 1 1 22 36 69 1 23 36 30 1 24 1 13 1 25 1 6 1 26 60 28 1 27 19 3 2 28 47 25 ar 29 47 24 ar 30 3 11 1 31 3 17 1 32 34 66 1 33 34 37 1 34 34 5 1 35 25 46 ar 36 11 37 1 37 70 37 1 38 35 67 1 39 35 22 1 40 35 5 1 41 24 38 ar 42 30 28 1 43 30 62 1 44 30 4 1 45 28 6 1 46 28 29 1 47 74 41 1 48 13 52 1 49 37 71 1 50 22 41 1 51 22 40 1 52 41 45 2 53 49 7 1 54 56 26 1 55 73 40 1 56 55 17 1 57 46 26 1 58 46 42 ar 59 40 43 2 60 4 31 1 61 38 42 ar 62 38 21 ar 63 7 29 1 64 45 77 1 65 45 44 1 66 26 57 1 67 29 31 1 68 29 61 1 69 75 44 1 70 42 23 ar 71 43 44 1 72 43 48 1 73 44 76 1 74 31 21 1 75 31 63 1 76 21 39 ar 77 48 20 2 78 48 27 am 79 23 39 ar 80 27 59 1 81 27 58 1 82 39 72 1