70680596 -OEChem-05052414432D 149160 0 1 0 0 0 0 0999 V2000 14.4623 1.7608 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 14.6507 -3.0563 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.7564 4.8441 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.7711 -4.2961 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 19.4940 -4.1180 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 20.5096 -5.5210 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.6785 -0.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0881 4.8264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2365 -6.0605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5651 0.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5644 4.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9803 -3.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3595 2.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4511 1.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 5.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3211 -2.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0204 6.3821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6985 -5.5561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9484 5.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0380 7.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9611 -4.8824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9700 7.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4676 1.6580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9087 -2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4570 1.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1673 4.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3927 -3.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3456 5.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5811 -3.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3575 -5.1061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1847 -3.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4068 -4.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9023 -3.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0856 -5.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6124 -6.5157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5043 -5.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5149 -5.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0653 0.3921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1845 6.6058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9742 -7.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6882 6.1217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6654 0.2183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3843 7.6786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9742 -8.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0669 2.2148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8310 7.8266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1620 -7.1231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1575 5.6243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3139 7.9056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6516 2.9138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3719 9.4720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2959 -8.6231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0493 1.8909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0673 9.8262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1620 -10.1231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6197 8.2657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 6.9785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4779 0.3578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6842 -0.6207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4787 4.6600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3448 0.8563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3438 4.1585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6883 5.6378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0868 0.1859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6830 5.7406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2877 -4.7498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6985 -5.5578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2382 -5.0605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2849 -6.3679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0138 -1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4467 3.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2262 5.6173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2279 6.6173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2774 6.9279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6882 6.1199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0482 -4.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0342 5.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4704 1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7809 7.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8023 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1734 6.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0280 -7.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5578 -8.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4646 1.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5264 8.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0280 -8.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 6.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1032 5.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 6.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0552 1.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3219 9.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1620 -9.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6575 3.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6264 8.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2959 -7.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 8.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4466 0.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9054 -1.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4452 4.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9240 1.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9223 3.9353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0891 5.4784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4762 -0.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3462 6.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7268 -4.3122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4180 -5.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7901 -5.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7225 -6.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6329 -0.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4658 -1.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8282 3.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2956 2.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 5.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1320 7.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6652 7.0260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4077 6.6728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3958 -3.9607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6030 -4.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5875 4.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3800 4.5135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9501 2.2159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4138 6.2543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3894 -5.0186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7354 -0.8914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5867 6.2449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1778 -8.1231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9742 7.8204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3857 8.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2948 4.7283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2144 1.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3187 -2.5764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4185 3.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4072 3.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0375 8.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7590 -7.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4155 2.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2995 1.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9405 10.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6563 9.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6997 9.1811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6250 -10.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6989 -10.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1043 -5.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.3934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 6.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5190 -3.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1784 -6.7689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7575 -4.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 1 23 1 0 0 0 0 1 25 2 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 2 27 2 0 0 0 0 3 11 1 0 0 0 0 3 19 1 0 0 0 0 3 26 1 0 0 0 0 3 28 2 0 0 0 0 4 21 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 2 0 0 0 0 5 29 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 5 34 2 0 0 0 0 6 32 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 6 37 2 0 0 0 0 7 59 1 0 0 0 0 7 64 1 0 0 0 0 8 62 1 0 0 0 0 8 65 1 0 0 0 0 9 68 1 0 0 0 0 9 69 1 0 0 0 0 58 10 1 1 0 0 0 60 11 1 1 0 0 0 66 12 1 6 0 0 0 13 71 1 0 0 0 0 61 14 1 1 0 0 0 14122 1 0 0 0 0 15 72 1 0 0 0 0 15 75 1 0 0 0 0 16 70 1 0 0 0 0 63 17 1 1 0 0 0 17123 1 0 0 0 0 67 18 1 6 0 0 0 18124 1 0 0 0 0 19 77 1 0 0 0 0 73 20 1 6 0 0 0 20128 1 0 0 0 0 21 76 1 0 0 0 0 74 22 1 6 0 0 0 22129 1 0 0 0 0 23131 1 0 0 0 0 24132 1 0 0 0 0 26133 1 0 0 0 0 30144 1 0 0 0 0 33147 1 0 0 0 0 35148 1 0 0 0 0 36149 1 0 0 0 0 64 38 1 6 0 0 0 38 78 1 0 0 0 0 38 80 1 0 0 0 0 65 39 1 6 0 0 0 39 79 1 0 0 0 0 39 81 1 0 0 0 0 69 40 1 1 0 0 0 40 82 1 0 0 0 0 40 83 1 0 0 0 0 75 41 1 1 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 42 80 2 0 0 0 0 42 84 1 0 0 0 0 43 81 2 0 0 0 0 43 85 1 0 0 0 0 44 83 2 0 0 0 0 44 86 1 0 0 0 0 45 78 2 0 0 0 0 45 93 1 0 0 0 0 46 79 2 0 0 0 0 46 94 1 0 0 0 0 47 82 2 0 0 0 0 47 96 1 0 0 0 0 48 88 2 0 0 0 0 48 89 1 0 0 0 0 49 87 2 0 0 0 0 49 97 1 0 0 0 0 50 90 1 0 0 0 0 50 93 2 0 0 0 0 51 91 1 0 0 0 0 51 94 2 0 0 0 0 52 92 1 0 0 0 0 52 96 2 0 0 0 0 53 90 1 0 0 0 0 53137 1 0 0 0 0 53138 1 0 0 0 0 54 91 1 0 0 0 0 54139 1 0 0 0 0 54140 1 0 0 0 0 55 92 1 0 0 0 0 55142 1 0 0 0 0 55143 1 0 0 0 0 56 95 1 0 0 0 0 56 97 2 0 0 0 0 57 95 1 0 0 0 0 57145 1 0 0 0 0 57146 1 0 0 0 0 58 59 1 0 0 0 0 58 61 1 0 0 0 0 58 98 1 0 0 0 0 59 70 1 6 0 0 0 59 99 1 0 0 0 0 60 62 1 0 0 0 0 60 63 1 0 0 0 0 60100 1 0 0 0 0 61 64 1 0 0 0 0 61101 1 0 0 0 0 62 71 1 6 0 0 0 62102 1 0 0 0 0 63 65 1 0 0 0 0 63103 1 0 0 0 0 64104 1 0 0 0 0 65105 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 66106 1 0 0 0 0 67 69 1 0 0 0 0 67107 1 0 0 0 0 68 76 1 1 0 0 0 68108 1 0 0 0 0 69109 1 0 0 0 0 70110 1 0 0 0 0 70111 1 0 0 0 0 71112 1 0 0 0 0 71113 1 0 0 0 0 72 73 1 0 0 0 0 72 77 1 1 0 0 0 72114 1 0 0 0 0 73 74 1 0 0 0 0 73115 1 0 0 0 0 74 75 1 0 0 0 0 74116 1 0 0 0 0 75117 1 0 0 0 0 76118 1 0 0 0 0 76119 1 0 0 0 0 77120 1 0 0 0 0 77121 1 0 0 0 0 78 84 1 0 0 0 0 79 85 1 0 0 0 0 80125 1 0 0 0 0 81126 1 0 0 0 0 82 86 1 0 0 0 0 83127 1 0 0 0 0 84 90 2 0 0 0 0 85 91 2 0 0 0 0 86 92 2 0 0 0 0 87 89 1 0 0 0 0 88130 1 0 0 0 0 89 95 2 0 0 0 0 93134 1 0 0 0 0 94135 1 0 0 0 0 96136 1 0 0 0 0 97141 1 0 0 0 0 M END > 70680596 > 1 > 3060 > 47 > 16 > 26 > AAADcfB//gOAAAAAAAAAAAAAAAAAAWLFixIsWLFgAAAAAFgB/gAAHgAQCCAACBzhlwYF8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate > [[(2R,3S,4R,5R)-5-adenin-9-yl-3-[[(2R,3S,4R,5R)-5-adenin-9-yl-3-[[(2R,3S,4R,5R)-5-adenin-9-yl-3-[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate > InChI=1S/C40H52N20O31P6/c41-29-17-33(49-5-45-29)57(9-53-17)37-22(62)21(61)13(83-37)1-79-93(69,70)87-26-14(84-38(23(26)63)58-10-54-18-30(42)46-6-50-34(18)58)2-80-94(71,72)88-27-15(85-39(24(27)64)59-11-55-19-31(43)47-7-51-35(19)59)3-81-95(73,74)89-28-16(4-82-96(75,76)91-97(77,78)90-92(66,67)68)86-40(25(28)65)60-12-56-20-32(44)48-8-52-36(20)60/h5-16,21-28,37-40,61-65H,1-4H2,(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H2,41,45,49)(H2,42,46,50)(H2,43,47,51)(H2,44,48,52)(H2,66,67,68)/t13-,14-,15-,16-,21-,22-,23-,24-,25-,26-,27-,28-,37-,38-,39-,40-/m1/s1 > GKWOWVCABUSLER-HKIDEBSPSA-N > -13.4 > 1494.1533069 > C40H52N20O31P6 > 1494.8 > C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OC4C(OC(C4O)N5C=NC6=C(N=CN=C65)N)COP(=O)(O)OC7C(OC(C7O)N8C=NC9=C(N=CN=C98)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N > C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=NC6=C(N=CN=C65)N)COP(=O)(O)O[C@@H]7[C@H](O[C@H]([C@@H]7O)N8C=NC9=C(N=CN=C98)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N > 744 > 1494.1533069 > 0 > 97 > 16 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 58 10 5 60 11 5 66 12 6 61 14 5 63 17 5 67 18 6 73 20 6 74 22 6 64 38 6 38 78 8 38 80 8 65 39 6 39 79 8 39 81 8 69 40 5 40 82 8 40 83 8 75 41 5 41 87 8 41 88 8 42 80 8 42 84 8 43 81 8 43 85 8 44 83 8 44 86 8 45 78 8 45 93 8 46 79 8 46 94 8 47 82 8 47 96 8 48 88 8 48 89 8 49 87 8 49 97 8 50 90 8 50 93 8 51 91 8 51 94 8 52 92 8 52 96 8 56 95 8 56 97 8 59 70 6 62 71 6 68 76 5 72 77 5 78 84 8 79 85 8 82 86 8 84 90 8 85 91 8 86 92 8 87 89 8 89 95 8 $$$$