HMDB0015585 RDKit 3D Chlophedianol 40 41 0 0 0 0 0 0 0 0999 V2000 3.4361 1.3171 0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -0.1025 0.0917 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8058 -0.5299 -1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7374 -0.2388 -0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9588 0.1085 1.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5226 0.0417 1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9601 0.3167 2.3302 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -1.2812 0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -1.6052 -0.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3653 -2.8222 -1.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8782 -3.7421 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 -3.4636 1.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5297 -2.2292 1.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 1.1542 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4993 2.0952 -0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1829 3.1456 -1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5533 3.1731 -1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2813 2.2215 -0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5843 1.2120 0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4547 -0.0217 1.1835 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9372 1.9331 -0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 1.4747 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1293 1.7058 1.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8557 -0.8539 -1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 -1.3718 -1.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8309 0.3050 -1.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6373 -1.3636 -0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5398 0.3191 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 1.1133 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2777 -0.6011 1.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8285 1.2762 2.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5392 -0.9188 -1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3229 -3.1185 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2156 -4.7121 -0.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3816 -4.2061 1.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6046 -2.0105 2.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 2.1143 -0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 3.8987 -1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0727 3.9824 -1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 2.2845 -0.2904 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 6 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 13 8 1 0 19 14 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 7 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 M END