70694739 -OEChem-05142408262D 151162 0 1 0 0 0 0 0999 V2000 14.8907 0.7466 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 21.3746 0.7315 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.6468 0.4054 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 26.6292 4.5304 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.9272 -0.6247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3073 3.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6372 1.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3892 -0.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5440 1.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2875 0.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6710 1.6376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6119 0.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2818 -2.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3922 1.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6518 0.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2912 2.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9395 -1.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3400 3.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0386 -4.3459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9683 -5.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0238 0.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7830 1.6443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6521 0.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7576 1.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9663 -0.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6415 0.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6077 4.7366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4229 5.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8354 3.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6649 -1.8826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5477 3.5757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3554 -0.3527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6926 -3.2524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6649 -3.4920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6062 4.8810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3498 -1.9622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8527 -1.6873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1921 2.3572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.1683 -0.1637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1636 -2.7497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9866 -3.1873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3121 -5.0349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6123 3.0672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.0291 -1.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8527 -4.6873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4372 4.7903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.1579 -3.1637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.3892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4622 -4.0980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3892 -0.1220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9784 0.6860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3540 1.9865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9289 0.3753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9756 -0.9320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3045 1.6758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8937 2.4838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3557 2.9865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0975 0.9095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0992 1.9095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0480 0.5989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0508 2.2169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7389 0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8937 2.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2323 -2.7567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2306 -3.7568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2790 -4.0641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6926 -3.2541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.3615 3.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3922 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0423 -2.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4618 1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7187 -2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6020 3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2485 -2.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5503 4.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7496 -0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3006 -0.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7690 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7187 -3.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0170 4.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2971 -1.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1076 -4.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1104 -2.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6507 4.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8527 -3.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0222 3.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1576 -3.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1614 -2.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9866 -2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1972 2.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0326 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4122 -4.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -5.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1087 0.4309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3662 0.7840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4499 1.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4808 0.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3630 -1.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8653 1.2382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1761 3.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8028 2.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1934 0.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5463 1.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6089 0.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6634 2.3128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0865 1.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2937 1.3932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4767 2.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7871 3.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1364 -2.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7835 -3.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6664 -4.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4121 -2.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3409 3.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7477 3.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9752 1.8245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2856 2.2243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0867 2.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1962 0.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3132 -2.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6386 -2.0005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8094 1.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0166 1.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3571 3.1152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8685 -2.6873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0531 4.9325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0204 -1.1470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3458 -0.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1490 -1.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9727 -4.9624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3824 -5.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4874 0.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -1.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4194 2.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3989 -0.2633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.6301 4.9438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0368 4.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4497 -1.8773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9431 1.6906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5706 -0.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3157 -4.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3896 -4.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8204 4.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6913 5.3558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6938 -3.4756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.6199 -3.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6935 -6.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3354 -3.4911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8003 5.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8336 5.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 21 1 0 0 0 0 1 24 2 0 0 0 0 1 69 1 0 0 0 0 2 10 1 0 0 0 0 2 22 1 0 0 0 0 2 25 2 0 0 0 0 2 71 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 3 26 2 0 0 0 0 3 76 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 2 0 0 0 0 4 84 1 0 0 0 0 5 53 1 0 0 0 0 5 54 1 0 0 0 0 6 56 1 0 0 0 0 6 57 1 0 0 0 0 7 60 1 0 0 0 0 7 61 1 0 0 0 0 50 8 1 1 0 0 0 52 9 1 6 0 0 0 58 10 1 1 0 0 0 51 11 1 6 0 0 0 11118 1 0 0 0 0 55 12 1 1 0 0 0 12119 1 0 0 0 0 13 64 1 0 0 0 0 13 67 1 0 0 0 0 14 63 1 0 0 0 0 14 69 1 0 0 0 0 15 62 1 0 0 0 0 15 71 1 0 0 0 0 59 16 1 6 0 0 0 16124 1 0 0 0 0 17 70 1 0 0 0 0 17 76 1 0 0 0 0 18 68 1 0 0 0 0 18 84 1 0 0 0 0 65 19 1 1 0 0 0 19130 1 0 0 0 0 66 20 1 6 0 0 0 20131 1 0 0 0 0 21132 1 0 0 0 0 22134 1 0 0 0 0 23135 1 0 0 0 0 27150 1 0 0 0 0 28151 1 0 0 0 0 54 30 1 1 0 0 0 30 72 1 0 0 0 0 30 74 1 0 0 0 0 57 31 1 6 0 0 0 31 73 1 0 0 0 0 31 75 1 0 0 0 0 60 32 1 1 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 67 33 1 6 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 74 2 0 0 0 0 34 79 1 0 0 0 0 35 75 2 0 0 0 0 35 80 1 0 0 0 0 36 78 2 0 0 0 0 36 81 1 0 0 0 0 37 72 2 0 0 0 0 37 89 1 0 0 0 0 38 73 2 0 0 0 0 38 90 1 0 0 0 0 39 77 2 0 0 0 0 39 91 1 0 0 0 0 40 83 2 0 0 0 0 40 87 1 0 0 0 0 41 85 1 0 0 0 0 41 89 2 0 0 0 0 42 82 2 0 0 0 0 42 93 1 0 0 0 0 43 86 1 0 0 0 0 43 90 2 0 0 0 0 44 88 1 0 0 0 0 44 91 2 0 0 0 0 45 85 1 0 0 0 0 45141 1 0 0 0 0 45142 1 0 0 0 0 46 86 1 0 0 0 0 46143 1 0 0 0 0 46144 1 0 0 0 0 47 88 1 0 0 0 0 47145 1 0 0 0 0 47146 1 0 0 0 0 48 92 1 0 0 0 0 48 93 2 0 0 0 0 49 92 1 0 0 0 0 49148 1 0 0 0 0 49149 1 0 0 0 0 50 51 1 0 0 0 0 50 54 1 0 0 0 0 50 94 1 0 0 0 0 51 53 1 0 0 0 0 51 95 1 0 0 0 0 52 55 1 0 0 0 0 52 57 1 0 0 0 0 52 96 1 0 0 0 0 53 62 1 1 0 0 0 53 97 1 0 0 0 0 54 98 1 0 0 0 0 55 56 1 0 0 0 0 55 99 1 0 0 0 0 56 63 1 6 0 0 0 56100 1 0 0 0 0 57101 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 58102 1 0 0 0 0 59 61 1 0 0 0 0 59103 1 0 0 0 0 60104 1 0 0 0 0 61 68 1 1 0 0 0 61105 1 0 0 0 0 62106 1 0 0 0 0 62107 1 0 0 0 0 63108 1 0 0 0 0 63109 1 0 0 0 0 64 65 1 0 0 0 0 64 70 1 6 0 0 0 64110 1 0 0 0 0 65 66 1 0 0 0 0 65111 1 0 0 0 0 66 67 1 0 0 0 0 66112 1 0 0 0 0 67113 1 0 0 0 0 68114 1 0 0 0 0 68115 1 0 0 0 0 69116 1 0 0 0 0 69117 1 0 0 0 0 70120 1 0 0 0 0 70121 1 0 0 0 0 71122 1 0 0 0 0 71123 1 0 0 0 0 72 79 1 0 0 0 0 73 80 1 0 0 0 0 74125 1 0 0 0 0 75126 1 0 0 0 0 76127 1 0 0 0 0 76128 1 0 0 0 0 77 81 1 0 0 0 0 78129 1 0 0 0 0 79 85 2 0 0 0 0 80 86 2 0 0 0 0 81 88 2 0 0 0 0 82 87 1 0 0 0 0 83133 1 0 0 0 0 84136 1 0 0 0 0 84137 1 0 0 0 0 87 92 2 0 0 0 0 89138 1 0 0 0 0 90139 1 0 0 0 0 91140 1 0 0 0 0 93147 1 0 0 0 0 M END > 70694739 > 1 > 2740 > 41 > 14 > 26 > AAADcfB//gOAAAAAAAAAAAAAAAAAAWLFixIsWLFgAAAAAFgB/gAAHggQCCAACBzhlwYF8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAoAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxymethyl-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxymethyl-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxymethyl-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxymethylphosphonic acid > [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxymethyl-hydroxyphosphoryl]oxy-3-hydroxy-2-oxolanyl]methoxymethyl-hydroxyphosphoryl]oxy-3-hydroxy-2-oxolanyl]methoxymethyl-hydroxyphosphoryl]oxy-3-hydroxy-2-oxolanyl]methoxymethylphosphonic acid > [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxymethyl-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxymethyl-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid > [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxymethyl-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxymethyl-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxymethylphosphonic acid > [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethyl-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxymethyl-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxymethyl-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxymethylphosphonic acid > [(2R,3R,4S,5R)-5-adenin-9-yl-4-[[(2R,3R,4S,5R)-5-adenin-9-yl-4-[[(2R,3R,4S,5R)-5-adenin-9-yl-4-[[(2R,3S,4S,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxymethyl-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxymethyl-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxymethyl-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxymethylphosphonic acid > InChI=1S/C44H58N20O25P4/c45-33-21-37(53-5-49-33)61(9-57-21)41-29(69)25(65)17(83-41)1-80-14-91(73,74)88-31-27(67)19(85-43(31)63-11-59-23-35(47)51-7-55-39(23)63)3-82-16-93(77,78)89-32-28(68)20(86-44(32)64-12-60-24-36(48)52-8-56-40(24)64)4-81-15-92(75,76)87-30-26(66)18(2-79-13-90(70,71)72)84-42(30)62-10-58-22-34(46)50-6-54-38(22)62/h5-12,17-20,25-32,41-44,65-69H,1-4,13-16H2,(H,73,74)(H,75,76)(H,77,78)(H2,45,49,53)(H2,46,50,54)(H2,47,51,55)(H2,48,52,56)(H2,70,71,72)/t17-,18-,19-,20-,25-,26-,27-,28-,29+,30+,31+,32+,41-,42-,43-,44-/m1/s1 > LOHJRWMHILYEJY-XODBGFLYSA-N > -11.6 > 1390.28324541 > C44H58N20O25P4 > 1390.9 > C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COCP(=O)(O)OC4C(C(OC4N5C=NC6=C(N=CN=C65)N)COCP(=O)(O)OC7C(C(OC7N8C=NC9=C(N=CN=C98)N)COCP(=O)(O)OC1C(C(OC1N1C=NC2=C(N=CN=C21)N)COCP(=O)(O)O)O)O)O)O)O)N > C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)COCP(=O)(O)O[C@H]4[C@@H]([C@H](O[C@H]4N5C=NC6=C(N=CN=C65)N)COCP(=O)(O)O[C@H]7[C@@H]([C@H](O[C@H]7N8C=NC9=C(N=CN=C98)N)COCP(=O)(O)O[C@H]1[C@@H]([C@H](O[C@H]1N1C=NC2=C(N=CN=C21)N)COCP(=O)(O)O)O)O)O)O)O)N > 651 > 1390.28324541 > 0 > 93 > 16 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 58 10 5 51 11 6 55 12 5 59 16 6 65 19 5 66 20 6 54 30 5 30 72 8 30 74 8 57 31 6 31 73 8 31 75 8 60 32 5 32 77 8 32 78 8 67 33 6 33 82 8 33 83 8 34 74 8 34 79 8 35 75 8 35 80 8 36 78 8 36 81 8 37 72 8 37 89 8 38 73 8 38 90 8 39 77 8 39 91 8 40 83 8 40 87 8 41 85 8 41 89 8 42 82 8 42 93 8 43 86 8 43 90 8 44 88 8 44 91 8 48 92 8 48 93 8 53 62 5 56 63 6 61 68 5 64 70 6 72 79 8 73 80 8 77 81 8 79 85 8 50 8 5 80 86 8 81 88 8 82 87 8 87 92 8 52 9 6 $$$$