HMDB0015346 RDKit 3D Estazolam 32 35 0 0 0 0 0 0 0 0999 V2000 0.4853 4.0144 1.9046 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 2.6594 1.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8319 2.7370 1.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5704 1.6596 0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8741 0.5427 0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4899 0.4658 0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2386 1.5239 0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3725 -0.6335 0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6859 -0.3824 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 0.7931 -0.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5429 0.8800 -1.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3638 -0.2213 -1.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8397 -1.4257 -0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5462 -1.4976 -0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0062 -1.8767 0.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2176 -2.4650 0.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4225 -1.8383 0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4819 -2.4982 -0.3051 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4046 -1.6114 -0.7651 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9208 -0.3684 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7365 -0.5281 -0.0462 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3405 3.6390 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 1.6772 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3105 1.4359 1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6036 1.6992 -0.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9498 1.8583 -1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4065 -0.1322 -1.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4748 -2.3290 -0.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 -2.4730 -0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2184 -3.5349 0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2214 -2.3154 1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 0.5457 -0.8587 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 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 8 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 7 2 1 0 14 9 1 0 21 17 1 0 21 5 1 0 3 22 1 0 4 23 1 0 7 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 14 29 1 0 16 30 1 0 16 31 1 0 20 32 1 0 M END