HMDB0250082 RDKit 3D Chloralose 28 29 0 0 0 0 0 0 0 0999 V2000 -2.3550 2.0186 0.8408 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1926 0.9062 0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3898 -0.1297 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0439 0.4379 -1.2983 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1651 -0.4224 0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4436 0.7084 1.0492 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7109 0.7102 0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8169 0.5107 1.1405 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -0.3123 0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 0.4178 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9146 -0.7681 -0.8912 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 1.1223 1.2931 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4479 1.7265 -1.1575 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 -0.9421 -0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7317 -0.4859 -0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 -1.4179 0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8837 -2.2728 -0.7443 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4369 2.6372 0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0468 1.1813 0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5065 0.4875 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9864 -1.0473 -0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1262 -0.1943 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -0.8386 1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8843 1.6435 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0733 -1.0948 1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4136 -0.1886 -1.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3126 -1.9276 0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3647 -2.4657 -1.5762 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 9 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 5 1 0 15 7 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 4 22 1 0 5 23 1 0 7 24 1 0 9 25 1 0 15 26 1 0 16 27 1 0 17 28 1 0 M END