HMDB0004668 RDKit 3D 13-OxoODE 51 50 0 0 0 0 0 0 0 0999 V2000 6.5633 0.0655 0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7580 0.0183 -0.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5382 0.2225 -1.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8559 1.5188 -1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2508 1.9318 -0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1492 1.1337 0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8316 1.3020 1.5302 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 0.1648 -0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3796 -0.5312 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5835 -1.5118 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3737 -2.1396 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7474 -1.9599 1.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2132 -1.4887 1.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3734 -0.1910 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7955 0.3087 0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7722 -0.6373 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1657 -0.0741 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3384 1.2361 -0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0223 1.0641 -1.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 1.4063 -2.4796 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0484 0.4593 -2.6993 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9594 0.9954 1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -0.1390 1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2263 -0.7556 1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3041 -0.9207 -1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4963 0.8337 -1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8092 -0.6073 -1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8116 0.0219 -2.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6223 2.3188 -1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1193 1.6188 -2.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8391 2.9909 -0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9950 2.1245 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5721 -0.0325 -1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 -0.3033 1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 -1.7305 -1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9417 -2.8706 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2029 -1.2209 2.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7249 -2.9087 2.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -2.2414 0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -1.3587 2.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7426 0.5929 1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9871 -0.2862 -0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7891 1.2504 0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0616 0.5359 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5646 -0.7735 -0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7565 -1.6399 0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4956 0.0461 1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8639 -0.8060 -0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4073 1.5309 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6635 1.9801 -0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1554 -0.5441 -2.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 21 51 1 0 M END