HMDB0041867 RDKit 3D Demoxepam 31 33 0 0 0 0 0 0 0 0999 V2000 0.8230 2.7868 -0.3534 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.1869 1.9076 -0.3224 N 0 0 0 0 0 4 0 0 0 0 0 0 0.1147 0.6816 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4574 0.2222 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 -1.0600 0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9615 -1.5970 0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0867 -0.8803 0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8945 0.3860 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6034 0.9236 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -0.3815 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4724 -1.5291 -0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3281 -2.5824 -0.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -4.0331 -1.6987 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6365 -2.5195 -0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0859 -1.3793 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2087 -0.3279 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7901 0.8700 0.8818 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4764 2.0916 0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1263 3.1130 1.1696 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5152 2.5225 -0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -1.6681 1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0623 -2.6024 1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0823 -1.2958 0.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7764 0.9604 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 1.9155 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5521 -1.5351 -1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2351 -3.3998 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0924 -1.3159 0.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 3.9530 1.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 3.6122 -0.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8383 2.1612 -1.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 3 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 2 1 0 9 4 1 0 16 10 1 0 5 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 11 26 1 0 14 27 1 0 15 28 1 0 19 29 1 0 20 30 1 0 20 31 1 0 M CHG 2 1 -1 2 1 M END