HMDB0014738 RDKit 3D Monobenzone 27 28 0 0 0 0 0 0 0 0999 V2000 5.7364 -0.3452 0.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3587 -0.2255 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8123 0.2347 1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 0.3525 1.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5654 0.0221 0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1832 0.1522 0.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6487 -0.2063 -0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0713 -0.0114 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8073 -1.0330 0.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1316 -0.8870 0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7869 0.3065 0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0702 1.3259 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7317 1.1875 -0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -0.4375 -0.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4798 -0.5550 -0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2217 0.4703 -0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4499 0.5107 2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0021 0.7160 2.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4776 -1.2942 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3558 0.3318 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3128 -1.9727 0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6616 -1.7219 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8355 0.4234 0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6127 2.2659 -0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1897 2.0006 -0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4258 -0.6942 -1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8972 -0.9162 -1.7946 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 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 5 14 1 0 14 15 2 0 15 2 1 0 13 8 1 0 1 16 1 0 3 17 1 0 4 18 1 0 7 19 1 0 7 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 15 27 1 0 M END