HMDB0062438 RDKit 3D 9-Hydroxybenzo[a]pyrene 33 37 0 0 0 0 0 0 0 0999 V2000 5.0162 -2.0902 -0.0313 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0657 -1.0828 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5129 0.2148 -0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5588 1.2052 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2077 0.9182 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 1.9122 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0849 1.6713 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0415 2.6627 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 2.4064 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8279 1.1042 0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1859 0.7897 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5954 -0.5187 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6671 -1.5312 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3022 -1.2134 0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 -2.2307 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0143 -1.9897 0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4055 -0.6817 0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7475 -0.4066 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7013 -1.3965 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5098 0.3630 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8826 0.1004 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3699 -2.5145 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5676 0.4505 -0.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9166 2.2274 -0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5762 2.9469 -0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6797 3.7017 -0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1094 3.2043 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8981 1.6078 0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6393 -0.7421 0.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9882 -2.5570 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7669 -3.2510 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6214 -2.8489 0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4362 -2.4319 0.0444 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 17 20 1 0 20 21 2 0 19 2 1 0 18 5 1 0 20 7 1 0 21 10 1 0 21 14 1 0 1 22 1 0 3 23 1 0 4 24 1 0 6 25 1 0 8 26 1 0 9 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 15 31 1 0 16 32 1 0 19 33 1 0 M END