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0 0 0 0 0 0\n 5.2899 -1.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2899 -0.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0044 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7189 -1.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4334 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1479 -1.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8623 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5768 -1.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2913 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0057 -1.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7202 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4347 -1.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1491 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8636 -1.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5780 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2925 -1.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0070 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7214 -1.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.4359 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1532 -3.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7417 -4.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0408 -4.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6713 -3.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5868 -4.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7633 -4.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3091 -5.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4856 -5.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0316 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2080 -6.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2461 -6.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0696 -6.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5237 -7.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3473 -7.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8013 -8.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6249 -8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0789 -8.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9025 -8.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3566 -9.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.1801 -9.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.6341 -10.0191 0.0000 C 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 4 3 1 0 0 0 0\n 4 5 2 0 0 0 0\n 6 4 1 0 0 0 0\n 7 6 1 0 0 0 0\n 8 7 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 16 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 22 21 1 0 0 0 0\n 23 1 1 0 0 0 0\n 23 24 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 30 29 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 25 43 2 0 0 0 0\n 1 44 1 0 0 0 0\n 44 45 1 0 0 0 0\n 46 45 1 0 0 0 0\n 46 47 2 0 0 0 0\n 48 46 1 0 0 0 0\n 49 48 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 63 1 0 0 0 0\n 1 65 1 0 0 0 0\n 65 66 1 0 0 0 0\n 67 66 1 0 0 0 0\n 67 68 2 0 0 0 0\n 69 67 1 0 0 0 0\n 70 69 1 0 0 0 0\n 71 70 1 0 0 0 0\n 72 71 1 0 0 0 0\n 73 72 1 0 0 0 0\n 74 73 1 0 0 0 0\n 75 74 1 0 0 0 0\n 76 75 1 0 0 0 0\n 77 76 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 84 83 1 0 0 0 0\n 85 84 1 0 0 0 0\nM END", "smiles": "CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC", "formula": "C77H148O8", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1201.9971", "optical_activity": "NONE", "references": [ "159234a3-90d3-4c93-9c86-3aa98d8fcc44", "747c0444-6220-4b4c-8876-15d773a905ed" ], "stereo_centers": 0 }, "unii": "W9Q3DZS0EG" } ] }