HMDB0248998 RDKit 3D 3-Hydroxybenzo(a)pyrene 33 37 0 0 0 0 0 0 0 0999 V2000 -4.7442 1.7620 0.3663 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8292 0.7667 0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2505 -0.5255 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3603 -1.5470 -0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0019 -1.3118 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1033 -2.3627 -0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2577 -2.1576 -0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 -0.8837 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0845 -0.6553 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9823 -1.6684 -0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3425 -1.3712 -0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7837 -0.0953 -0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8706 0.9007 0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5202 0.6491 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6221 1.6479 0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2609 1.4456 0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6135 2.5008 0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 2.2630 0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4754 1.0105 0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5735 -0.0267 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1941 0.1714 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5625 2.7190 0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3117 -0.7302 -0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6912 -2.5703 -0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5186 -3.3311 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8697 -3.0193 -0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6413 -2.6573 -0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0446 -2.1794 -0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8469 0.1225 0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2165 1.9129 0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9955 2.6505 0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 3.4812 0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 3.0888 0.6285 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 2 0 11 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 19 2 1 0 20 5 1 0 21 8 1 0 14 9 1 0 21 16 1 0 1 22 1 0 3 23 1 0 4 24 1 0 6 25 1 0 7 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 15 31 1 0 17 32 1 0 18 33 1 0 M END