HMDB0035317 RDKit 3D alpha-Bixin 59 58 0 0 0 0 0 0 0 0999 V2000 10.4306 -2.7744 3.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2588 -1.6747 2.7625 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -1.3239 2.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0338 -2.0220 2.6944 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8044 -0.1900 1.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5710 0.1188 1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 1.2576 0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5604 2.0521 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1559 1.5538 -0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9337 0.8209 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7714 1.2241 -0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5408 0.5451 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4932 -0.6147 0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3791 0.9898 -0.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1681 0.3016 -0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9831 0.7293 -0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 0.0562 -0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4161 0.4668 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3406 1.6400 -1.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6149 -0.2537 -0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8437 0.0846 -0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9980 -0.6957 -0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2139 -0.4199 -0.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4971 0.7175 -1.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3556 -1.2387 -0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5597 -0.9564 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7071 -1.7524 -0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5702 -2.7371 0.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9746 -1.4256 -0.8787 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8692 -3.6162 3.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1516 -2.5094 4.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4690 -3.0668 4.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6479 0.3897 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7428 -0.4745 1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1837 2.3045 0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1622 1.3905 -0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2759 2.9318 -0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0631 2.4188 -0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9624 -0.0333 0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 2.1054 -1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7181 -0.3808 1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3741 -0.9053 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0834 -1.5292 0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4114 1.8513 -1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 -0.5662 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0284 1.6067 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -0.8034 0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2559 1.9708 -2.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9201 2.5428 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 1.3667 -2.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 -1.1045 0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8549 0.9342 -1.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8740 -1.5655 0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6742 1.3818 -2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8003 0.2710 -2.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3399 1.3437 -1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1529 -2.0688 0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7151 -0.1244 -1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1069 -0.5405 -1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 29 1 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 0 6 34 1 0 8 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 13 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 16 46 1 0 17 47 1 0 19 48 1 0 19 49 1 0 19 50 1 0 20 51 1 0 21 52 1 0 22 53 1 0 24 54 1 0 24 55 1 0 24 56 1 0 25 57 1 0 26 58 1 0 29 59 1 0 M END