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0 0 0 0 0 0 0 0\n 11.5968 -3.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3975 -4.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3381 -4.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1361 -5.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0844 -5.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8825 -6.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1711 -0.8816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9724 -1.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4913 -1.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8341 -0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5950 0.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9261 0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5706 1.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0240 2.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6665 2.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1197 3.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6400 -0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9750 0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7845 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1236 0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9293 0.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2645 1.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0819 1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4171 1.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6854 -0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 5 4 1 0 0 0 0\n 6 5 1 0 0 0 0\n 6 2 1 0 0 0 0\n 7 5 2 0 0 0 0\n 8 4 1 0 0 0 0\n 9 8 1 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 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 11 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 26 3 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 29 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 31 32 1 0 0 0 0\n 32 33 1 0 0 0 0\n 33 34 1 0 0 0 0\n 28 35 1 0 0 0 0\n 35 36 1 0 0 0 0\n 36 37 1 0 0 0 0\n 37 38 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 27 43 2 0 0 0 0\n 44 2 1 0 0 0 0\n 45 44 1 0 0 0 0\n 46 45 1 0 0 0 0\n 47 46 1 0 0 0 0\n 47 48 1 0 0 0 0\n 48 49 1 0 0 0 0\n 49 50 1 0 0 0 0\n 50 51 1 0 0 0 0\n 51 52 1 0 0 0 0\n 52 53 1 0 0 0 0\n 53 54 1 0 0 0 0\n 48 55 1 0 0 0 0\n 55 56 1 0 0 0 0\n 56 57 1 0 0 0 0\n 57 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 47 63 2 0 0 0 0\n 44 64 1 1 0 0 0\n 65 64 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 69 70 1 0 0 0 0\n 70 71 1 0 0 0 0\n 71 72 1 0 0 0 0\n 66 73 1 0 0 0 0\n 73 74 1 0 0 0 0\n 74 75 1 0 0 0 0\n 75 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 65 81 2 0 0 0 0\nM END", "smiles": "CCCCCCCCC(CCCCCC)C(=O)OC[C@@H]([C@]1([H])C(=C(C(=O)O1)OC(=O)C(CCCCCC)CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC", "formula": "C70H128O10", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "defined_stereo": 2, "ez_centers": 0, "molecular_weight": "1129.762", "optical_activity": "UNSPECIFIED", "references": [ "509816a9-dcc4-4da5-9726-7f192b84c2e1", "be06ea95-feff-4e0f-891e-2e86582ee1f5" ], "stereo_centers": 6 }, "unii": "47143LT58A" } ] }