HMDB0011671 RDKit 3D ADP-ribose 1"-2" cyclic phosphate 61 65 0 0 0 0 0 0 0 0999 V2000 -8.0749 4.1650 0.5312 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6816 2.8205 0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5075 1.8041 0.1232 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1351 0.5072 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7842 0.2995 -0.1433 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8945 1.2526 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2981 2.5532 0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2286 3.2912 0.3435 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1442 2.4994 0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5201 1.2229 0.0015 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7774 0.0511 -0.0983 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4256 -0.6023 -1.2503 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5831 -1.5398 -0.6093 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7446 -2.4282 -1.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8735 -3.0932 -0.4227 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 -2.6025 -0.8876 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5062 -3.7287 -1.3735 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -1.3828 -2.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3308 -1.9568 0.5799 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8266 -0.3747 0.4744 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4705 0.2991 -0.8596 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2541 0.5581 1.7349 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5094 -0.4129 0.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0893 0.8087 0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 0.6680 0.5807 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2762 -0.2051 1.3234 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3138 -0.7446 0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5804 -0.3941 0.9431 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1210 0.6180 -0.2931 P 0 0 0 0 0 5 0 0 0 0 0 0 10.2527 -0.0076 -1.0774 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5141 2.1517 0.3076 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7429 0.6939 -1.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0517 -0.4198 -0.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5992 -0.0230 -0.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8702 -1.2013 -0.7364 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3577 -2.1624 0.4885 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6828 -1.9497 1.7132 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5622 -1.1637 0.5390 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9326 -0.8465 1.7974 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9511 4.4959 0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5299 4.8268 1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8493 -0.3021 -0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1108 2.8681 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8624 0.0723 0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7891 -0.8128 -0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3694 -3.3776 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1704 -2.1833 -2.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1489 -0.7062 -1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1214 1.5299 1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8804 1.0054 1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6126 1.5903 0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0315 1.6214 0.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2783 -1.8852 0.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6753 2.6887 0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2132 -1.2977 -1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2733 0.6701 -1.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 -1.9768 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6902 -3.1857 0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7029 -1.9263 1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2902 -1.5582 -0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 -1.1817 2.0240 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 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 13 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 7 2 1 0 38 11 1 0 10 6 1 0 34 25 1 0 33 27 1 0 1 40 1 0 1 41 1 0 4 42 1 0 9 43 1 0 11 44 1 1 13 45 1 1 14 46 1 0 14 47 1 0 18 48 1 0 22 49 1 0 24 50 1 0 24 51 1 0 25 52 1 6 27 53 1 0 31 54 1 0 33 55 1 0 34 56 1 0 35 57 1 0 36 58 1 6 37 59 1 0 38 60 1 6 39 61 1 0 M END