HMDB0251951 RDKit 3D Esmirtazapine 39 42 0 0 0 0 0 0 0 0999 V2000 -4.0610 0.7887 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9896 0.4733 -0.5818 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7567 -0.9264 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8377 -1.5060 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -0.7317 0.1997 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5152 -1.6010 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -2.7039 -0.7036 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 -3.6765 -1.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -3.4693 -0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7378 -2.3504 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -1.3771 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3664 -0.2410 1.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8663 1.0296 0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 1.8605 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7789 3.0912 -0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5241 3.5017 -0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4393 2.6586 -0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5726 1.4096 0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7146 0.6921 0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8254 1.2853 -0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9961 0.8784 -0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2436 -0.0327 1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9245 1.7479 0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 -1.4394 -0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3932 -1.2144 -1.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6524 -2.5718 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1891 -1.4007 1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7513 -4.5665 -1.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0483 -4.2641 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7693 -2.2393 0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -0.2344 2.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4525 -0.2555 1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9363 1.5272 0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6597 3.7049 -0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4057 4.4759 -1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5097 3.0782 -0.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9813 0.8530 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4612 1.5092 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1709 2.2370 0.0111 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 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 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 2 1 0 19 5 1 0 11 6 1 0 18 13 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 12 31 1 0 12 32 1 0 14 33 1 0 15 34 1 0 16 35 1 0 17 36 1 0 19 37 1 0 20 38 1 0 20 39 1 0 M END