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0 0 0 0 0 0 0 0 0 0 0 0\n 5.9772 -12.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5647 -11.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9772 -10.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5647 -10.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9772 -9.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5647 -8.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9772 -8.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5647 -7.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9772 -6.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8022 -6.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2147 -5.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8022 -5.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0398 -5.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4523 -5.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2772 -5.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6898 -4.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5147 -4.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9272 -3.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1206 -13.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 10 1 1 0 0 0 0\n 11 10 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 18 17 1 0 0 0 0\n 19 18 1 0 0 0 0\n 20 19 1 0 0 0 0\n 21 20 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 24 21 1 0 0 0 0\n 25 24 1 0 0 0 0\n 26 25 1 0 0 0 0\n 27 26 1 0 0 0 0\n 27 28 1 0 0 0 0\n 28 29 1 0 0 0 0\n 30 29 1 0 0 0 0\n 30 31 2 0 0 0 0\n 32 30 1 0 0 0 0\n 33 32 1 0 0 0 0\n 34 33 1 0 0 0 0\n 35 34 1 0 0 0 0\n 36 35 1 0 0 0 0\n 37 36 1 0 0 0 0\n 38 37 1 0 0 0 0\n 38 39 1 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 1 0 0 0 0\n 42 44 1 0 0 0 0\n 44 45 1 0 0 0 0\n 45 46 1 0 0 0 0\n 46 47 1 0 0 0 0\n 47 48 1 0 0 0 0\n 48 49 1 0 0 0 0\n 27 50 1 0 0 0 0\n 50 51 1 0 0 0 0\n 52 51 1 0 0 0 0\n 53 52 1 0 0 0 0\n 54 53 1 0 0 0 0\n 55 54 1 0 0 0 0\n 56 55 1 0 0 0 0\n 57 56 1 0 0 0 0\n 58 57 1 0 0 0 0\n 58 59 1 0 0 0 0\n 59 60 1 0 0 0 0\n 60 61 1 0 0 0 0\n 61 62 1 0 0 0 0\n 62 63 1 0 0 0 0\n 63 64 1 0 0 0 0\n 64 65 1 0 0 0 0\n 65 66 1 0 0 0 0\n 66 67 1 0 0 0 0\n 67 68 1 0 0 0 0\n 67 69 1 0 0 0 0\n 52 70 2 0 0 0 0\n 27 71 1 0 0 0 0\n 71 72 1 0 0 0 0\n 21 73 1 0 0 0 0\n 73 74 1 0 0 0 0\n 75 74 1 0 0 0 0\n 75 76 2 0 0 0 0\n 77 75 1 0 0 0 0\n 78 77 1 0 0 0 0\n 79 78 1 0 0 0 0\n 80 79 1 0 0 0 0\n 81 80 1 0 0 0 0\n 82 81 1 0 0 0 0\n 83 82 1 0 0 0 0\n 83 84 1 0 0 0 0\n 84 85 1 0 0 0 0\n 85 86 1 0 0 0 0\n 86 87 1 0 0 0 0\n 87 88 1 0 0 0 0\n 87 89 1 0 0 0 0\n 89 90 1 0 0 0 0\n 90 91 1 0 0 0 0\n 91 92 1 0 0 0 0\n 92 93 1 0 0 0 0\n 93 94 1 0 0 0 0\n 18 95 2 0 0 0 0\nM END", "smiles": "CCCCCCC(CCCCCCCCCCC(=O)OCC(CO)(COCC(CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(CCCCCC)O)COC(=O)CCCCCCCCCCCCCCC(C)C)O", "formula": "C82H158O13", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1352.1272", "optical_activity": "UNSPECIFIED", "references": [ "3c021b4a-273c-4080-8f49-cb745a3beb76", "18d3a89c-ca4c-4c2b-bfb7-1ae884d3ec3b" ], "stereo_centers": 4 }, "unii": "230K0823CE" } ] }