HMDB0001444 RDKit 3D Adenosine octaphosphate 101106 0 0 0 0 0 0 0 0999 V2000 15.1047 3.3482 1.3382 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4838 2.3154 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2149 1.2993 0.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6586 0.2983 -0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3404 0.3418 -0.8403 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5260 1.3165 -0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1263 2.3402 0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1186 3.1685 0.6734 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9542 2.6819 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2176 1.5533 -0.4883 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 0.7179 -1.1775 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9700 1.0611 -0.9628 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2188 -0.0524 -0.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9909 -0.1666 0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2158 -1.3291 0.9627 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8827 -1.5844 2.6096 P 0 0 0 0 0 5 0 0 0 0 0 0 7.7098 -0.6541 3.4743 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2026 -3.2015 2.9959 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2276 -1.3240 2.8344 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 -2.2591 1.6586 P 0 0 0 0 0 5 0 0 0 0 0 0 5.1326 -2.2084 0.3367 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4426 -3.8604 2.1906 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8601 -1.6696 1.5076 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4619 -1.3001 -0.0826 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3631 -0.2265 -0.6522 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5985 -2.6749 -1.0539 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -0.7945 -0.1308 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6174 0.4691 -1.2134 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8703 1.3030 -1.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2451 -0.1941 -2.7462 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7073 1.4007 -0.7377 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3062 0.8812 0.7564 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8000 2.0469 1.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0427 0.1496 1.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 -0.2639 0.5609 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4707 0.0741 -0.8086 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6296 0.7870 -1.8351 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9590 -1.4138 -1.4918 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 0.9244 -0.4148 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9631 2.4051 -1.2352 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.0921 3.4782 -0.1496 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5366 2.7444 -2.0743 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3163 2.5122 -2.2092 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4078 1.2550 -1.9797 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.7997 1.8256 -2.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1668 -0.0197 -3.0305 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4141 0.6858 -0.4036 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7270 0.6505 0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6137 0.1293 1.5254 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8109 0.0306 2.1875 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4548 -1.1173 1.8015 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.5558 -0.7414 0.9178 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.2945 -1.6128 0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2239 -0.9338 -0.5255 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.0975 0.3587 -0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7917 1.4693 -0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8638 1.3999 -1.5983 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4061 2.6559 -0.1871 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3864 2.7695 0.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7236 1.6866 1.1088 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0509 0.4737 0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4661 -2.0194 1.1317 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4171 -3.2935 1.6537 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1450 -1.3091 1.4553 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7135 -1.6893 2.7179 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0512 -1.2607 -1.1007 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9377 -1.4179 -2.4767 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4480 -0.7462 -0.8154 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4019 -1.3663 -1.6168 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4736 3.1764 2.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1751 4.2910 0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2170 -0.5283 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9718 3.1341 0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4436 0.7633 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 -0.0587 -1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 0.7219 1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9522 -0.2392 1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9760 -3.5057 2.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5739 -4.3164 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0734 -3.4039 -0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1157 -1.1912 -2.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -0.7133 2.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2981 -1.9482 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6576 2.7058 -3.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8610 -0.0458 -3.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3428 0.0219 -0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1191 1.6900 0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9095 0.7681 2.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8573 -1.6645 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1030 -2.6962 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8637 0.6777 -2.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6923 2.0389 -1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0780 3.7300 1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6081 -2.0884 0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6434 -3.3948 2.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4007 -1.4799 0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4092 -1.3474 3.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7946 -2.1522 -0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8214 -2.3639 -2.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6710 -0.8253 0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8497 -2.0597 -1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 20 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 36 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 40 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 2 0 56 57 1 0 56 58 1 0 58 59 2 0 59 60 1 0 60 61 2 0 51 62 1 0 62 63 1 0 62 64 1 0 64 65 1 0 13 66 1 0 66 67 1 0 66 68 1 0 68 69 1 0 7 2 1 0 68 11 1 0 10 6 1 0 64 49 1 0 61 52 1 0 61 55 1 0 1 70 1 0 1 71 1 0 4 72 1 0 9 73 1 0 11 74 1 6 13 75 1 0 14 76 1 0 14 77 1 0 18 78 1 0 22 79 1 0 26 80 1 0 30 81 1 0 34 82 1 0 38 83 1 0 42 84 1 0 46 85 1 0 48 86 1 0 48 87 1 0 49 88 1 1 51 89 1 1 53 90 1 0 57 91 1 0 57 92 1 0 59 93 1 0 62 94 1 6 63 95 1 0 64 96 1 6 65 97 1 0 66 98 1 1 67 99 1 0 68100 1 1 69101 1 0 M END