HMDB0012329 RDKit 3D 4-Oxoretinol 50 50 0 0 0 0 0 0 0 0999 V2000 -3.0471 2.0670 2.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6749 0.7753 2.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9186 -0.0496 1.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 0.4317 1.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6557 -0.1150 0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 0.4936 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9574 1.7847 0.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5719 -0.0838 -0.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9017 0.3962 -0.9756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7596 -0.2482 -1.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1022 0.1763 -2.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6501 1.4349 -1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8661 -0.5770 -2.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2173 -0.1434 -3.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3361 -0.0096 -4.5618 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 -1.2878 0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6608 -1.0436 -0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7331 -2.4331 0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -1.8370 2.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4727 -0.9307 2.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0277 0.4887 2.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8428 1.3786 2.7312 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7783 2.6903 1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1557 1.9081 3.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8408 2.6376 3.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2517 1.4128 1.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 -1.0300 -0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 1.7391 1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9832 2.1434 0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2225 2.5522 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3003 -1.0525 -1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2282 1.3360 -0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 -1.2072 -2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 2.1561 -1.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5378 1.3136 -0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0579 1.9725 -2.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5101 -1.5228 -3.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8966 -1.0155 -2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6168 0.6904 -2.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 0.7639 -4.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3411 -0.2420 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1658 -0.6474 -1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2391 -1.9501 -0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3602 -3.3819 0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 -2.3470 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 -2.5361 1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6052 -1.9919 2.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7367 -2.8150 1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7879 -1.1892 3.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3027 -1.0555 1.7990 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 6 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 3 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 2 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 5 27 1 0 7 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 10 33 1 0 12 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 M END