HMDB0060419 RDKit 3D 7-Hydroxymethyl-12-methylbenz[a]anthracene 37 40 0 0 0 0 0 0 0 0999 V2000 -1.1095 -2.3901 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 -1.2372 0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1772 -1.4811 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5934 -2.8110 -0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -3.0408 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8531 -2.0659 -0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3818 -0.7469 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -0.4747 -0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6544 0.8607 -0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6969 1.8659 -0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3756 3.1693 -0.6255 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3464 1.1163 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1374 2.4174 -0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 2.7404 0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3609 1.7472 0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6622 2.0688 0.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5662 1.1019 0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1552 -0.1969 1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8308 -0.5543 0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 0.4005 0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6003 0.0730 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5417 -3.1230 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9725 -2.3104 -0.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1601 -3.0574 0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9311 -3.6255 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2723 -4.0718 -0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9203 -2.2768 -0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1445 -0.0067 -0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5446 1.7595 0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 1.5660 -1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7611 3.6351 -1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5682 3.2045 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7836 3.7614 0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9339 3.1297 0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6079 1.3844 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8646 -0.9852 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6199 -1.5461 0.8933 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 9 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 2 1 0 8 3 1 0 21 12 1 0 20 15 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 5 26 1 0 6 27 1 0 7 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 13 32 1 0 14 33 1 0 16 34 1 0 17 35 1 0 18 36 1 0 19 37 1 0 M END