HMDB0060816 RDKit 3D Didesmethyl doxepin 36 38 0 0 0 0 0 0 0 0999 V2000 -3.4738 2.3511 -0.7133 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 0.9934 -0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1608 0.3597 -0.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8666 0.9646 -0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1537 0.2713 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0697 -1.1642 0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -1.3646 0.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -2.6868 0.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7987 -3.7268 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4221 -3.4384 -0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8197 -2.1349 -0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1555 -1.9929 -0.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9266 -0.9193 -0.4913 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6827 0.3727 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 1.1620 0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6341 2.4614 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 2.9988 0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 2.2203 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 0.9490 0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7041 2.9613 -0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4252 2.7200 -0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4937 1.0873 0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3313 0.4938 -0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2175 0.7779 -1.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -0.6583 -1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6892 2.0445 -0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8233 -0.5583 1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5522 -2.9651 1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0745 -4.7638 0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0778 -4.2361 -0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7101 -2.9359 -0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0015 -2.0059 -2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7503 0.7304 -0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5227 3.0826 0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2366 4.0110 1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2263 2.5382 0.8288 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 5 1 0 11 6 1 0 19 14 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 7 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 12 31 1 0 12 32 1 0 15 33 1 0 16 34 1 0 17 35 1 0 18 36 1 0 M END