HMDB0245076 RDKit 3D 2-Chlorooctadecanoic acid 56 55 0 0 0 0 0 0 0 0999 V2000 5.1162 0.5971 -2.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 0.2377 -1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0373 -1.2379 -1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7516 -1.8440 -0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9967 -1.5309 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4974 -0.1395 0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7108 -0.2256 2.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1404 1.1065 2.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1905 1.6448 1.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0177 0.6652 1.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 1.1924 0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0748 0.2263 -0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8521 0.0129 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0058 -0.8875 1.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1941 -0.6115 0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1549 -0.3806 -1.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5642 -0.2103 -1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5935 -1.6004 -1.4669 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.2237 1.0232 -1.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6015 1.8299 -0.5561 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5275 1.3561 -1.5952 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5604 1.4491 -2.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9987 -0.2577 -3.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1405 0.9164 -1.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9945 0.8936 -0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1555 0.4349 -1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8813 -1.5810 -0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3513 -1.6884 -2.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9114 -2.9830 -0.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0501 -1.6668 -1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1008 -2.2466 0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5378 -1.8600 1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2943 0.6114 0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8556 0.2256 -0.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4509 -0.5132 2.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9297 -1.0039 2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5183 0.9360 3.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9156 1.8171 2.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 1.7862 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7577 2.5828 1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3628 -0.3351 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 0.5852 2.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 1.3326 -0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2842 2.1906 0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5931 -0.7785 -0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6116 0.5061 -0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0788 0.9770 1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1048 -0.4713 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6123 -1.9457 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3814 -1.1022 2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8187 0.1916 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8953 -1.5174 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6524 -1.1496 -1.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6823 0.6078 -1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4743 -0.0914 -2.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1294 1.9245 -1.0365 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 4 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 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 16 53 1 0 16 54 1 0 17 55 1 0 21 56 1 0 M END