HMDB0060840 RDKit 3D N-Desmethyldoxepin 39 41 0 0 0 0 0 0 0 0999 V2000 4.7147 -0.7298 0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1706 0.1910 -0.5673 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9605 -0.3405 -1.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8969 -0.3609 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5796 -0.8698 -0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5139 -0.2414 -0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8037 -0.8888 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6288 -1.5717 -1.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -2.2474 -2.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9599 -2.1893 -1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0399 -1.4618 -0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9451 -0.7757 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2883 -0.0964 1.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3103 0.6668 2.0337 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2391 1.4248 1.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9795 2.6121 2.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0724 3.4080 1.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8636 2.9723 0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6177 1.7586 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4236 1.0475 0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 -0.5812 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5764 -1.7592 0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8112 -0.5653 0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 1.1438 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 0.2344 -2.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1904 -1.3683 -1.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3213 -1.2805 0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0245 0.2179 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5061 -1.8320 -0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6838 -1.5618 -2.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6755 -2.8011 -3.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8429 -2.7216 -1.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0059 -1.4657 0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1687 0.5526 1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6514 -0.8711 2.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6133 2.9228 2.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2485 4.3582 2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6716 3.5938 0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1555 1.4767 -0.8992 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 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 6 1 0 12 7 1 0 20 15 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 8 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 13 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 M END