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0 0 0 0\n 0.6012 -3.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3152 -3.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0292 -3.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7432 -3.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4572 -3.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1711 -3.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8851 -3.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5991 -3.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3131 -3.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0270 -3.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7410 -3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4550 -3.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1690 -3.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1795 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4634 -5.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0542 -6.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1795 -6.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2275 -6.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8184 -5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8746 -3.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0083 -5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4176 -6.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8287 -6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8287 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0166 -3.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 9 1 0 0 0 0\n 3 8 1 0 0 0 0\n 4 1 1 0 0 0 0\n 5 1 2 0 0 0 0\n 6 2 2 0 0 0 0\n 7 3 2 0 0 0 0\n 8 11 1 0 0 0 0\n 9 12 1 0 0 0 0\n 10 4 1 0 0 0 0\n 11 10 1 0 0 0 0\n 12 10 1 0 0 0 0\n 13 1 1 0 0 0 0\n 14 2 1 0 0 0 0\n 15 3 1 0 0 0 0\n 16 14 1 0 0 0 0\n 17 15 1 0 0 0 0\n 18 13 1 0 0 0 0\n 19 22 1 0 0 0 0\n 20 24 1 0 0 0 0\n 21 23 1 0 0 0 0\n 22 64 1 0 0 0 0\n 23 70 1 0 0 0 0\n 24 67 1 0 0 0 0\n 25 72 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 30 16 1 0 0 0 0\n 31 30 1 0 0 0 0\n 32 31 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 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 29 1 0 0 0 0\n 46 45 1 0 0 0 0\n 47 46 1 0 0 0 0\n 48 17 1 0 0 0 0\n 49 18 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 58 57 1 0 0 0 0\n 59 58 1 0 0 0 0\n 60 59 1 0 0 0 0\n 61 60 1 0 0 0 0\n 62 61 1 0 0 0 0\n 63 62 1 0 0 0 0\n 64 44 1 0 0 0 0\n 65 48 1 0 0 0 0\n 66 65 1 0 0 0 0\n 67 47 1 0 0 0 0\n 68 66 1 0 0 0 0\n 69 68 1 0 0 0 0\n 70 63 1 0 0 0 0\n 71 69 1 0 0 0 0\n 72 71 1 0 0 0 0\n 73 20 1 0 0 0 0\n 74 19 1 0 0 0 0\n 75 21 1 0 0 0 0\nM END", "smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC", "formula": "C69H134O6", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1059.8013", "optical_activity": "NONE", "references": [ "576b4749-25a5-4796-b7af-b99c8a6cceb3", "1075035e-220a-4084-b6ae-f5c8eba6cb96" ], "stereo_centers": 0 }, "unii": "8OC9U7TQZ0" } ] }