HMDB0031704 RDKit 3D Danielone 27 27 0 0 0 0 0 0 0 0999 V2000 3.9036 1.3809 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2929 0.1278 -0.0892 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9229 -0.0744 -0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0588 0.9893 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3335 0.8286 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1696 1.9890 0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5706 3.1392 0.3721 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6265 2.0809 0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 0.9337 0.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7921 -0.4554 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0639 -1.5618 -0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4526 -2.8351 -0.2291 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8494 -3.0758 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4088 -1.3499 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3299 -2.4062 -0.3021 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9605 1.7544 1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 1.2604 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3476 2.1273 -0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4581 1.9956 0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8672 2.6395 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 2.7805 -0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2521 1.1527 -0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8647 -0.6557 0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9871 -4.1695 -0.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2827 -2.7871 0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2976 -2.4813 -1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9457 -3.3276 -0.3780 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 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 5 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 2 0 14 15 1 0 14 3 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 13 24 1 0 13 25 1 0 13 26 1 0 15 27 1 0 M END