HMDB0258052 RDKit 3D N-[[(2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]ox... 52 55 0 0 0 0 0 0 0 0999 V2000 -6.7899 -0.7533 -0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0114 0.1853 0.6605 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3356 0.4774 1.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6429 1.2969 2.6361 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8858 0.8282 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3711 1.5194 -1.0839 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9262 -0.2765 -0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8155 0.2565 -1.0416 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7918 -0.6054 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 -0.1389 -1.0909 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 0.1004 -2.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1603 0.5261 -2.3939 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 0.5662 -1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8512 0.9190 -0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9139 1.3474 -1.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1762 1.7109 -0.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8257 0.5658 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3269 -0.7084 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9406 -1.7509 0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0421 -1.5085 1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5332 -0.2308 1.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2141 0.1465 2.6380 I 0 0 0 0 0 0 0 0 0 0 0 0 6.9160 0.7774 0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0059 0.8488 0.7478 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9739 0.4382 1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 0.0891 0.9913 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 0.1449 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9663 -0.6996 0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 0.5486 1.3946 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -1.0022 0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6708 -2.3935 0.6814 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8758 -0.6371 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5019 -1.8144 0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6207 -0.6438 -1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1712 0.0013 2.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3985 1.5114 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6677 2.1473 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4365 -0.9948 -1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0435 -1.6022 -1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 -0.0138 -3.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 1.4148 -2.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0464 2.5052 -0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8557 2.1585 -1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4661 -0.8974 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5754 -2.7567 0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5231 -2.2980 1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2919 1.8046 0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0739 0.3724 2.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3722 -1.4846 1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8234 1.2274 0.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8808 -0.6165 1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9239 -2.6082 -0.2632 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 2 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 14 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 9 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 7 1 0 27 10 1 0 27 13 1 0 23 17 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 5 36 1 0 6 37 1 0 7 38 1 0 9 39 1 0 11 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 18 44 1 0 19 45 1 0 20 46 1 0 23 47 1 0 25 48 1 0 28 49 1 0 29 50 1 0 30 51 1 0 31 52 1 0 M END