HMDB0249002 RDKit 3D Benzo[b]fluoranthene 32 36 0 0 0 0 0 0 0 0999 V2000 4.6492 0.3165 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1831 1.6108 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 1.8450 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9639 0.7949 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4491 -0.4982 -0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7966 -0.7514 -0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2552 -1.3527 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0601 -2.7040 -0.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2306 -3.1798 -0.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3547 -2.3552 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1303 -1.0121 -0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 -0.5413 -0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4947 0.7643 -0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5212 1.6868 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8295 1.2395 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8424 2.1730 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1461 1.7739 0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4413 0.4299 0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4595 -0.5294 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -0.1000 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7231 0.1576 -0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8764 2.4523 0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4217 2.8509 0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1608 -1.7720 -0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9119 -3.3449 -0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 -4.2490 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3386 -2.7411 -0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2514 2.7190 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6341 3.2292 0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9223 2.5039 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4896 0.1262 -0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7612 -1.5429 -0.2775 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 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 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 6 1 1 0 12 7 1 0 20 15 1 0 13 4 1 0 20 11 2 0 1 21 1 0 2 22 1 0 3 23 1 0 6 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 14 28 1 0 16 29 1 0 17 30 1 0 18 31 1 0 19 32 1 0 M END