70692742 -OEChem-04262402452D 145156 0 1 0 0 0 0 0999 V2000 16.6414 1.9136 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.0703 1.5205 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.5619 -0.7303 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.9895 -5.7600 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.1068 0.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9732 1.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2609 -2.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4515 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5688 0.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5619 -0.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8506 2.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8314 1.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9001 0.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4870 4.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0634 0.1383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6735 -2.7180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5718 2.3891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7915 1.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0958 -4.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7236 2.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2278 1.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2034 1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5601 -1.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0551 2.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9372 2.0190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5636 0.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8833 -6.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9839 -5.8663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9952 -5.6538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 -1.1087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3375 3.5846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.7251 -0.9632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7274 4.3496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 -2.7182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0028 5.1588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.3797 0.5072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0323 -0.9134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1507 3.7704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.3013 -1.8786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7858 5.6549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 3.1311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1663 -2.4134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6859 5.4176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.7025 -0.8606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0323 -3.9134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5270 6.7048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.5215 0.8620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 3.8410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6168 5.5642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5688 0.6519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3643 2.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1580 1.4599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1085 1.1492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5705 1.1132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1552 -0.1582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5649 1.0070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2312 2.5902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0604 -1.5989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.6521 -2.5117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.0547 -1.7052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.3940 -3.1822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9186 1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0634 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0733 3.2577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4842 2.4497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5336 2.7604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5354 3.7604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.2878 -4.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0733 3.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5619 -0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8983 -1.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1996 4.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4282 -1.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5718 2.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5993 4.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7135 -1.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5193 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8983 -2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9917 5.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1202 -0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7817 4.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7299 5.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0323 -2.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7349 5.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1967 4.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1147 -0.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1663 -1.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8938 4.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2958 -1.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 4.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3769 3.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2864 0.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8818 1.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5972 1.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6605 0.8668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7917 0.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5929 -0.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1841 1.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7118 2.9288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4412 -1.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4905 -3.1103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.6533 -1.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9134 -3.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2662 2.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4733 2.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4804 -0.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1700 -0.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3558 3.8097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0963 2.3517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6296 2.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6334 4.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6921 -4.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0150 -4.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2663 2.8715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0907 -0.2188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6563 3.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 3.8668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9789 -0.9396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6685 -1.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0482 -1.9134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1548 2.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4652 2.9981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9928 4.1215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4809 -3.3073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9529 0.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3759 1.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7873 1.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9747 0.5377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 5.7063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6670 1.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0227 -2.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6293 -1.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4835 4.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.6602 -2.2757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4954 -4.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5692 -4.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9877 7.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9373 6.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.1381 0.9268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1571 1.3636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1228 2.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3842 -7.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.2351 -6.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 6.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 1 21 1 0 0 0 0 1 24 2 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 2 25 2 0 0 0 0 2 74 1 0 0 0 0 3 10 1 0 0 0 0 3 23 1 0 0 0 0 3 26 2 0 0 0 0 3 70 1 0 0 0 0 4 19 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 5 53 1 0 0 0 0 5 55 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 51 8 1 1 0 0 0 50 9 1 6 0 0 0 58 10 1 1 0 0 0 52 11 1 6 0 0 0 11114 1 0 0 0 0 12 62 1 0 0 0 0 54 13 1 1 0 0 0 13115 1 0 0 0 0 14 64 1 0 0 0 0 14 67 1 0 0 0 0 15 63 1 0 0 0 0 15 70 1 0 0 0 0 59 16 1 1 0 0 0 16124 1 0 0 0 0 17 69 1 0 0 0 0 17 74 1 0 0 0 0 65 18 1 1 0 0 0 18126 1 0 0 0 0 19 68 1 0 0 0 0 66 20 1 1 0 0 0 20127 1 0 0 0 0 21128 1 0 0 0 0 22130 1 0 0 0 0 23131 1 0 0 0 0 27142 1 0 0 0 0 28143 1 0 0 0 0 55 30 1 1 0 0 0 30 71 1 0 0 0 0 30 73 1 0 0 0 0 57 31 1 6 0 0 0 31 72 1 0 0 0 0 31 75 1 0 0 0 0 60 32 1 6 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 67 33 1 6 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 73 2 0 0 0 0 34 78 1 0 0 0 0 35 75 2 0 0 0 0 35 79 1 0 0 0 0 36 77 2 0 0 0 0 36 80 1 0 0 0 0 37 71 2 0 0 0 0 37 87 1 0 0 0 0 38 72 2 0 0 0 0 38 88 1 0 0 0 0 39 76 2 0 0 0 0 39 89 1 0 0 0 0 40 82 2 0 0 0 0 40 85 1 0 0 0 0 41 81 2 0 0 0 0 41 91 1 0 0 0 0 42 83 1 0 0 0 0 42 87 2 0 0 0 0 43 84 1 0 0 0 0 43 88 2 0 0 0 0 44 86 1 0 0 0 0 44 89 2 0 0 0 0 45 83 1 0 0 0 0 45135 1 0 0 0 0 45136 1 0 0 0 0 46 84 1 0 0 0 0 46137 1 0 0 0 0 46138 1 0 0 0 0 47 86 1 0 0 0 0 47139 1 0 0 0 0 47140 1 0 0 0 0 48 90 1 0 0 0 0 48 91 2 0 0 0 0 49 90 1 0 0 0 0 49144 1 0 0 0 0 49145 1 0 0 0 0 50 52 1 0 0 0 0 50 55 1 0 0 0 0 50 92 1 0 0 0 0 51 54 1 0 0 0 0 51 57 1 0 0 0 0 51 93 1 0 0 0 0 52 53 1 0 0 0 0 52 94 1 0 0 0 0 53 62 1 1 0 0 0 53 95 1 0 0 0 0 54 56 1 0 0 0 0 54 96 1 0 0 0 0 55 97 1 0 0 0 0 56 63 1 6 0 0 0 56 98 1 0 0 0 0 57 99 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 58100 1 0 0 0 0 59 61 1 0 0 0 0 59101 1 0 0 0 0 60102 1 0 0 0 0 61 68 1 6 0 0 0 61103 1 0 0 0 0 62104 1 0 0 0 0 62105 1 0 0 0 0 63106 1 0 0 0 0 63107 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 6 0 0 0 64108 1 0 0 0 0 65 66 1 0 0 0 0 65109 1 0 0 0 0 66 67 1 0 0 0 0 66110 1 0 0 0 0 67111 1 0 0 0 0 68112 1 0 0 0 0 68113 1 0 0 0 0 69116 1 0 0 0 0 69117 1 0 0 0 0 70118 1 0 0 0 0 70119 1 0 0 0 0 71 78 1 0 0 0 0 72 79 1 0 0 0 0 73120 1 0 0 0 0 74121 1 0 0 0 0 74122 1 0 0 0 0 75123 1 0 0 0 0 76 80 1 0 0 0 0 77125 1 0 0 0 0 78 83 2 0 0 0 0 79 84 2 0 0 0 0 80 86 2 0 0 0 0 81 85 1 0 0 0 0 82129 1 0 0 0 0 85 90 2 0 0 0 0 87132 1 0 0 0 0 88133 1 0 0 0 0 89134 1 0 0 0 0 91141 1 0 0 0 0 M END > 70692742 > 1 > 2700 > 41 > 14 > 24 > AAADcfB//gOAAAAAAAAAAAAAAAAAAWLFixIsWLFgAAAAAFgB/gAAHggQCCAACBzhlwYF8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAoAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxymethyl-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxymethyl-[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl]oxy-phosphinic acid > [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxymethyl-hydroxyphosphoryl]oxy-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-2-oxolanyl]methoxymethyl-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)-3-oxolanyl]oxy]phosphinic acid > [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxymethyl-[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl]oxyphosphinic acid > [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxymethyl-[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl]oxyphosphinic acid > [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethyl-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxymethyl-[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-3-yl]oxy-phosphinic acid > [(2R,3R,4R,5R)-5-adenin-9-yl-4-[[(2R,3R,4R,5R)-5-adenin-9-yl-4-[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxymethyl-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxymethyl-[(2R,3R,4R,5R)-2-adenin-9-yl-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl]oxy-phosphinic acid > InChI=1S/C42H54N20O25P4/c43-31-19-35(51-5-47-31)59(9-55-19)39-27(67)23(63)15(81-39)1-77-13-88(68,69)86-29-26(66)18(84-41(29)61-11-57-21-33(45)49-7-53-37(21)61)4-80-91(75,76)87-30-24(64)16(82-42(30)62-12-58-22-34(46)50-8-54-38(22)62)2-78-14-89(70,71)85-28-25(65)17(3-79-90(72,73)74)83-40(28)60-10-56-20-32(44)48-6-52-36(20)60/h5-12,15-18,23-30,39-42,63-67H,1-4,13-14H2,(H,68,69)(H,70,71)(H,75,76)(H2,43,47,51)(H2,44,48,52)(H2,45,49,53)(H2,46,50,54)(H2,72,73,74)/t15-,16-,17-,18-,23-,24-,25-,26-,27-,28-,29-,30-,39-,40-,41-,42-/m1/s1 > KKXICHHBMPCNJN-FOLMKQQLSA-N > -11.4 > 1362.25194528 > C42H54N20O25P4 > 1362.9 > C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COCP(=O)(O)OC4C(C(OC4N5C=NC6=C(N=CN=C65)N)COP(=O)(O)OC7C(C(OC7N8C=NC9=C(N=CN=C98)N)COCP(=O)(O)OC1C(C(OC1N1C=NC2=C(N=CN=C21)N)COP(=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)COP(=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)COP(=O)(O)O)O)O)O)O)O)N > 651 > 1362.25194528 > 0 > 91 > 16 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 58 10 5 52 11 6 54 13 5 59 16 5 65 18 5 66 20 5 55 30 5 30 71 8 30 73 8 57 31 6 31 72 8 31 75 8 60 32 6 32 76 8 32 77 8 67 33 6 33 81 8 33 82 8 34 73 8 34 78 8 35 75 8 35 79 8 36 77 8 36 80 8 37 71 8 37 87 8 38 72 8 38 88 8 39 76 8 39 89 8 40 82 8 40 85 8 41 81 8 41 91 8 42 83 8 42 87 8 43 84 8 43 88 8 44 86 8 44 89 8 48 90 8 48 91 8 53 62 5 56 63 6 61 68 6 64 69 6 71 78 8 72 79 8 76 80 8 78 83 8 79 84 8 51 8 5 80 86 8 81 85 8 85 90 8 50 9 6 $$$$