HMDB0248969 RDKit 3D Benz[a]anthracene 30 33 0 0 0 0 0 0 0 0999 V2000 -4.5444 -0.8286 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4105 0.5161 -0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1439 1.0851 -0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0563 0.2635 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7751 0.8276 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3188 0.0309 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -1.3172 0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3013 -2.0546 0.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5731 -1.5451 0.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7442 -0.2029 0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0317 0.3226 0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1835 1.6524 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 2.4670 -0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8398 1.8910 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6188 0.5649 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0791 -1.8688 0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1687 -1.0621 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 -1.6145 0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5447 -1.2531 0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2687 1.1503 -0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9863 2.1108 -0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6798 1.8715 -0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2145 -3.1072 0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4692 -2.1219 0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -0.3188 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 2.0559 -0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1982 3.5270 -0.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9791 2.5160 -0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 -2.9113 0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5914 -2.6464 0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 7 16 2 0 16 17 1 0 17 18 2 0 18 1 1 0 17 4 1 0 15 6 1 0 15 10 1 0 1 19 1 0 2 20 1 0 3 21 1 0 5 22 1 0 8 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 16 29 1 0 18 30 1 0 M END