HMDB0304946 RDKit 3D 28 29 0 0 0 0 0 0 0 0999 V2000 3.3789 1.3604 -0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3205 0.6912 1.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1099 -0.0542 1.3472 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7454 -1.0255 0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -1.1675 -0.5619 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -1.8843 0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5441 -1.4411 -0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9745 -1.8466 -1.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 -1.0958 -2.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3327 -0.2089 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3189 0.7746 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3915 1.5662 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 1.3516 1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4748 0.3897 1.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4138 -0.3994 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8153 2.3703 -0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3469 1.4517 -0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0598 0.7872 -0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2204 0.1613 1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2199 1.5418 1.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9192 -2.9173 0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2359 -2.0195 1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5331 -2.6347 -2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5616 -1.2071 -2.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0521 0.9485 -1.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1673 2.3029 0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4988 1.9685 2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7274 0.2360 1.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 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 7 1 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 6 21 1 0 6 22 1 0 8 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 M END