HMDB0001211 RDKit 3D Diadenosine tetraphosphate 81 86 0 0 0 0 0 0 0 0999 V2000 -13.0411 -1.4857 -2.3055 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3990 -0.7000 -1.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0675 0.1822 -0.5441 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4274 0.9097 0.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1053 0.7973 0.6087 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3856 -0.0682 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0408 -0.8183 -1.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0825 -1.5817 -1.6522 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9037 -1.3029 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0725 -0.3687 -0.1087 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0160 0.1668 0.7285 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9507 0.5704 -0.0683 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8202 0.5157 0.7442 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5669 0.5533 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4185 0.5014 0.6739 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0188 0.5422 -0.2499 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8209 0.1712 0.5761 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1635 -0.5650 -1.5233 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7518 2.0615 -0.9307 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 2.1590 -1.5466 P 0 0 0 0 0 5 0 0 0 0 0 0 0.1053 3.6005 -1.8717 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1094 1.2024 -2.9368 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9547 1.5677 -0.4576 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 2.7282 0.6796 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3351 3.8305 0.7705 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 3.4767 0.1241 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5681 2.0857 2.2129 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 0.6907 2.2389 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5602 -0.4854 2.4591 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5421 0.7880 3.5693 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3267 0.4247 0.8101 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7013 0.6222 0.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4253 0.3805 -0.3382 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7867 0.5995 -0.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3672 -0.0176 -1.2093 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8075 -0.0653 -1.1205 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6724 0.3714 -2.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9470 0.1670 -1.6303 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9101 -0.4050 -0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8836 -0.8258 0.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2663 -0.6896 0.1643 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4725 -1.3721 1.6242 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1502 -1.5029 1.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1939 -1.0939 1.0543 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5532 -0.5445 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7262 -1.3732 -1.2240 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8006 -1.9868 -2.4563 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2831 -1.0283 -0.8389 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5342 -1.1301 -1.9998 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9989 -0.8480 1.3993 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2259 -0.9595 2.5517 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4809 -0.8310 1.7094 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6957 -0.4307 3.0379 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5786 -1.7652 -3.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0252 -1.8163 -2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9676 1.6142 0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9594 -1.7668 -1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3606 1.0751 1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8306 1.2792 1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5661 1.5308 -0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5488 -0.2553 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4857 -1.2572 -1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4573 0.4043 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0793 4.2160 0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2390 0.2009 4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8359 1.6983 1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1432 0.0399 1.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0632 1.0541 -1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0211 0.5360 -2.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4078 0.8271 -3.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8277 0.1276 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7473 -1.4407 -0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8305 -1.9465 2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0993 -2.0381 -0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2577 -2.8617 -2.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8916 -1.7313 -0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -2.0415 -2.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8058 -1.6325 0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3832 -1.4193 2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9432 -1.8249 1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8925 0.0077 3.4139 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 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 40 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 35 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 13 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 7 2 1 0 52 11 1 0 10 6 1 0 48 33 1 0 45 36 1 0 45 39 1 0 1 54 1 0 1 55 1 0 4 56 1 0 9 57 1 0 11 58 1 1 13 59 1 1 14 60 1 0 14 61 1 0 18 62 1 0 22 63 1 0 26 64 1 0 30 65 1 0 32 66 1 0 32 67 1 0 33 68 1 6 35 69 1 6 37 70 1 0 41 71 1 0 41 72 1 0 43 73 1 0 46 74 1 1 47 75 1 0 48 76 1 1 49 77 1 0 50 78 1 6 51 79 1 0 52 80 1 6 53 81 1 0 M END