HMDB0254545 RDKit 3D methoxychlor 36 37 0 0 0 0 0 0 0 0999 V2000 -5.4316 -1.7956 1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7904 -0.8542 0.5785 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4922 -0.4108 0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0034 0.5105 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6961 0.9970 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8718 0.5855 1.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 1.0800 1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4389 0.7795 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7841 -0.5740 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6524 -1.0067 -0.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2107 -0.0774 -1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0898 -0.5091 -2.7712 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4722 -1.8386 -2.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8767 1.2478 -1.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9928 1.6707 -0.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5153 2.5279 1.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2358 3.6199 0.4760 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2716 2.7321 3.2456 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2117 3.0892 1.8503 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4039 -0.3370 1.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6979 -0.8448 1.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9017 -1.2290 2.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7879 -2.6133 1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2654 -2.2342 0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 0.8950 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3189 1.7089 -0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9177 0.4897 2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3669 -1.3103 0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9415 -2.0492 -1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8795 -2.3054 -2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2257 -1.9344 -3.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5493 -2.4382 -3.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2831 1.9873 -2.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7353 2.7151 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8094 -0.6968 2.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0853 -1.5771 2.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 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 11 14 1 0 14 15 2 0 7 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 6 20 1 0 20 21 2 0 21 3 1 0 15 8 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 5 26 1 0 7 27 1 0 9 28 1 0 10 29 1 0 13 30 1 0 13 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 20 35 1 0 21 36 1 0 M END