HMDB0001312 RDKit 3D Diadenosine diphosphate 71 76 0 0 0 0 0 0 0 0999 V2000 -9.9236 3.3921 1.4705 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5261 2.1683 0.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4198 1.4229 0.1709 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9766 0.2860 -0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7019 -0.1192 -0.3729 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7681 0.6234 0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2173 1.7798 0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1661 2.3322 1.4834 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 1.5477 1.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4251 0.4705 0.5112 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5933 -0.5743 -0.0243 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6816 -0.0127 -0.9382 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -0.7752 -0.9424 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7442 -2.0789 -1.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6086 -2.8541 -1.6641 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3825 -1.0845 0.5715 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0695 0.1163 1.2373 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4163 0.4041 1.2335 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1417 1.5998 2.1314 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5084 -0.8686 1.7701 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9811 0.9429 -0.3377 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 0.1962 -0.8806 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9626 1.2338 -1.9575 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 -1.1704 -1.7686 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5581 0.0905 0.2874 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1149 -1.2266 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 -0.9250 -0.0996 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1481 0.0883 0.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1632 0.3611 -0.2306 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3335 0.9779 0.4242 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5746 0.9873 1.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8509 1.3523 1.9422 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4343 1.5799 0.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7002 1.9384 0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7716 2.0653 1.2371 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9383 2.0619 -0.9564 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9600 1.8366 -1.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7219 1.4778 -1.5197 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4344 1.3364 -0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7379 -1.1009 -0.4795 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1855 -1.1592 -1.7377 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5537 -1.9588 -0.1030 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4551 -2.9813 -1.0186 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8038 -1.3858 0.9459 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1081 -0.9664 2.2384 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6013 3.3740 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5151 4.2811 1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7400 -0.2824 -0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1194 1.8226 1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2300 -1.2438 -0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6911 -0.2085 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6273 -2.6124 -1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8925 -1.7832 -2.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 -3.7004 -2.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6415 -1.8547 0.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9751 -1.5772 2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0508 -2.0083 -1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6001 -1.8963 -0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0456 -1.5738 1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4254 -0.5462 -1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9134 0.8378 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7925 0.7358 2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8759 2.8023 1.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5588 1.3334 1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1884 1.9502 -2.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5393 -1.1924 0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8431 -0.4982 -2.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7757 -2.3373 0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3912 -3.1704 -1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0306 -2.4824 0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8455 -1.5970 2.9175 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 13 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 18 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 34 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 29 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 16 44 1 0 44 45 1 0 7 2 1 0 44 11 1 0 10 6 1 0 42 27 1 0 39 30 1 0 39 33 1 0 1 46 1 0 1 47 1 0 4 48 1 0 9 49 1 0 11 50 1 6 13 51 1 6 14 52 1 0 14 53 1 0 15 54 1 0 16 55 1 6 20 56 1 0 24 57 1 0 26 58 1 0 26 59 1 0 27 60 1 6 29 61 1 6 31 62 1 0 35 63 1 0 35 64 1 0 37 65 1 0 40 66 1 1 41 67 1 0 42 68 1 1 43 69 1 0 44 70 1 1 45 71 1 0 M END