HMDB0004669 RDKit 3D 9-OxoODE 51 50 0 0 0 0 0 0 0 0999 V2000 -5.6007 -0.1428 2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5124 -1.1244 1.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 -0.6271 0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6688 -1.6289 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8081 -1.2240 -0.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6724 -1.1189 -2.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7952 -0.0251 -2.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1742 1.1661 -2.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6039 2.2622 -2.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6793 2.7494 -1.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3407 4.0109 -1.6176 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 2.0693 -0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 1.1513 -0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8032 0.3901 0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7668 -0.4948 -0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 -1.3635 0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6978 -0.8465 1.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 0.0270 2.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7283 0.2940 2.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8053 1.0141 3.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8866 -0.2705 2.4879 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3979 0.3165 3.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6146 -0.6220 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6091 0.7096 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9925 -2.0993 1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8473 -1.2548 2.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2405 0.3395 0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4179 -0.4613 -0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1239 -2.6233 0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0282 -1.7048 1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0574 -2.0396 -1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4073 -0.2624 -0.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2629 -2.0090 -2.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5676 -0.1876 -3.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1509 1.4282 -3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0817 3.0891 -3.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 2.8665 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6824 1.5808 0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6481 0.3970 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 1.7724 -1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1627 1.0416 0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0018 -0.2479 0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3251 0.1219 -1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1136 -1.1439 -1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0221 -2.1485 0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1928 -2.0263 -0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5333 -0.3188 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2607 -1.7434 1.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 1.0828 1.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7376 -0.3397 3.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7889 0.2188 2.5367 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 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 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 6 33 1 0 7 34 1 0 8 35 1 0 9 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