HMDB0254929 RDKit 3D [(1r,2s,4s,5s)-4-[2-Iodo-6-(Methylamino)-9h-Purin-9-Yl]-2-(Phosphonooxy)bicyc... 47 50 0 0 0 0 0 0 0 0999 V2000 7.3507 -1.1943 0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9521 -1.4087 0.6706 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9763 -0.5494 0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3362 0.4838 -0.6870 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4055 1.2988 -1.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0589 2.8705 -2.4424 I 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 1.0885 -0.9446 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6911 0.0722 -0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6535 -0.7717 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9549 -1.6782 1.1309 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6347 -1.3889 1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4683 -0.3229 0.2491 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2497 0.3126 -0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4318 1.0164 1.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 1.4162 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6559 1.9430 1.2317 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0003 3.5321 0.7033 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.0149 3.9683 -0.3582 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5598 3.5939 0.0582 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 4.6283 1.9791 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 0.1367 -0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3101 -0.6144 0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5704 -1.7893 -0.4424 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8928 -2.6102 0.2094 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.0200 -1.6840 0.5495 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3664 -3.4896 1.5653 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4265 -3.7592 -0.9312 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7049 -0.2046 -1.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8386 -0.6456 -0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7828 -2.1432 -0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4903 -0.3520 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8864 -0.9934 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6786 -2.1983 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -1.9634 1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3835 1.0793 -0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6627 0.2528 1.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1304 1.8790 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4475 2.1292 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5838 3.3156 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 5.5336 1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1472 -0.8157 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2098 0.0264 0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -3.9761 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6168 -4.0548 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3006 0.6371 -2.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2739 -0.9365 -2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8617 -1.6697 -0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 17 20 1 0 15 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 21 28 1 0 28 29 1 0 9 3 1 0 29 13 1 0 12 8 1 0 29 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 11 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 19 39 1 0 20 40 1 0 22 41 1 0 22 42 1 0 26 43 1 0 27 44 1 0 28 45 1 0 28 46 1 0 29 47 1 0 M END