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-3.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6366 -3.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8881 -3.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1889 -3.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8876 -6.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1713 -6.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4587 -6.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7423 -6.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0297 -6.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3133 -6.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.0506 -10.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.8352 -9.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.4194 -10.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.2081 -10.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.7855 -10.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.5741 -10.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2125 -5.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.9289 -6.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.6563 -5.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.3726 -6.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.1000 -5.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.8164 -6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 2 0 0 0 0\n 3 2 1 0 0 0 0\n 4 3 1 0 0 0 0\n 4 5 1 1 0 0 0\n 6 5 1 0 0 0 0\n 7 6 2 0 0 0 0\n 8 6 1 0 0 0 0\n 9 8 1 0 0 0 0\n 10 9 1 0 0 0 0\n 11 10 1 0 0 0 0\n 12 11 1 0 0 0 0\n 13 12 1 0 0 0 0\n 14 13 1 0 0 0 0\n 15 14 1 0 0 0 0\n 16 15 1 0 0 0 0\n 17 4 1 0 0 0 0\n 18 17 1 0 0 0 0\n 19 18 1 0 0 0 0\n 20 19 2 0 0 0 0\n 21 19 1 0 0 0 0\n 22 21 1 0 0 0 0\n 23 22 1 0 0 0 0\n 24 23 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 28 27 1 0 0 0 0\n 29 28 1 0 0 0 0\n 3 30 1 6 0 0 0\n 3 31 1 0 0 0 0\n 31 32 1 0 0 0 0\n 32 1 1 0 0 0 0\n 33 32 2 0 0 0 0\n 34 2 1 0 0 0 0\n 35 34 1 0 0 0 0\n 36 35 2 0 0 0 0\n 37 35 1 0 0 0 0\n 38 37 1 0 0 0 0\n 39 38 1 0 0 0 0\n 40 39 1 0 0 0 0\n 41 40 1 0 0 0 0\n 42 41 1 0 0 0 0\n 43 42 1 0 0 0 0\n 44 43 1 0 0 0 0\n 45 44 1 0 0 0 0\n 46 1 1 0 0 0 0\n 47 46 1 0 0 0 0\n 48 47 2 0 0 0 0\n 49 47 1 0 0 0 0\n 50 49 1 0 0 0 0\n 51 50 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 29 58 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 16 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 68 69 1 0 0 0 0\n 45 70 1 0 0 0 0\n 70 71 1 0 0 0 0\n 71 72 1 0 0 0 0\n 72 73 1 0 0 0 0\n 73 74 1 0 0 0 0\n 74 75 1 0 0 0 0\n 57 76 1 0 0 0 0\n 76 77 1 0 0 0 0\n 77 78 1 0 0 0 0\n 78 79 1 0 0 0 0\n 79 80 1 0 0 0 0\n 80 81 1 0 0 0 0\nM END", "smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@]1([H])C(=C(C(=O)O1)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC", "formula": "C70H128O10", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 2, "ez_centers": 0, "molecular_weight": "1129.762", "optical_activity": "UNSPECIFIED", "references": [ "ad329d63-875b-4e14-8721-0ae1c6b391d0", "03122668-6a1b-4208-a3d8-8ca3dc318402" ], "stereo_centers": 2 }, "unii": "9LBV3F07AZ" } ] }