HMDB0032039 RDKit 3D Benzoin 28 29 0 0 0 0 0 0 0 0999 V2000 -0.6568 -1.0986 -2.4237 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5756 -0.9913 -1.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6462 -0.3391 -0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7053 0.1936 -1.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7749 0.8217 -0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8243 0.9456 0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8141 0.4440 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7417 -0.1910 0.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6486 -1.5749 -0.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3594 -2.2729 -1.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6123 -0.5934 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3019 0.2011 -0.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2327 1.1281 -0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 1.2468 0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 0.4682 1.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8576 -0.4561 1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6945 0.1106 -2.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5589 1.2086 -1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6944 1.4535 1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8573 0.5438 2.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9581 -0.5878 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3655 -2.3638 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4007 -1.7118 -2.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1791 0.1683 -2.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7783 1.7580 -1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1902 1.9701 1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9799 0.5740 2.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3462 -1.0549 2.0188 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 6 7 1 0 7 8 2 0 2 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 8 3 1 0 16 11 1 0 4 17 1 0 5 18 1 0 6 19 1 0 7 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 15 27 1 0 16 28 1 0 M END