HMDB0015273 RDKit 3D Doxepin 42 44 0 0 0 0 0 0 0 0999 V2000 4.1440 -0.4266 0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1596 -0.9004 -0.4219 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 -1.9014 -1.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6317 0.1573 -1.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7769 1.1010 -0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7312 0.2345 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5541 0.3062 0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3104 -0.8135 0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6396 -1.3495 1.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1447 -2.4224 2.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3616 -2.9054 2.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -2.3695 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 -1.2987 0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4737 -0.9077 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2256 0.2937 -1.2481 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4866 1.4371 -0.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 2.6146 -1.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3619 3.8094 -1.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1739 3.7686 -0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6074 2.6169 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2792 1.4505 -0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6229 0.4858 0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 -1.2235 0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6137 -0.1631 1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2016 -2.6790 -0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5997 -1.4512 -1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -2.4211 -1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3601 0.7396 -1.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9098 -0.2872 -1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 1.8267 -1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4269 1.6066 0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1663 -0.6909 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3065 -0.9209 2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6131 -2.8590 3.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 -3.7443 2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0341 -2.7844 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5316 -1.7731 -1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5086 -0.8524 -0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9448 2.6405 -1.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 4.7544 -1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 4.6972 -0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3098 2.6043 0.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 7 1 0 13 8 1 0 21 16 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 12 36 1 0 14 37 1 0 14 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 M END