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0 0\n 37.3203 -13.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.6707 -12.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.0599 -13.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.4058 -12.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 34.7950 -13.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 34.0781 -12.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 33.3673 -13.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 32.6505 -12.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 31.9395 -13.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 3 2 1 0 0 0 0\n 4 3 1 0 0 0 0\n 5 4 1 0 0 0 0\n 6 5 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 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 21 20 1 1 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 6 0 0 0\n 24 25 1 0 0 0 0\n 25 26 1 1 0 0 0\n 27 26 1 0 0 0 0\n 28 27 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 34 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 42 43 1 0 0 0 0\n 43 44 1 0 0 0 0\n 44 45 1 0 0 0 0\n 28 46 2 0 0 0 0\n 47 25 1 0 0 0 0\n 48 47 1 0 0 0 0\n 48 49 1 6 0 0 0\n 50 49 1 0 0 0 0\n 48 51 1 0 0 0 0\n 51 52 1 1 0 0 0\n 51 53 1 0 0 0 0\n 53 25 1 0 0 0 0\n 53 54 1 6 0 0 0\n 55 23 1 0 0 0 0\n 56 55 1 0 0 0 0\n 57 21 1 0 0 0 0\n 56 57 1 0 0 0 0\n 57 58 1 6 0 0 0\n 56 59 1 1 0 0 0\n 55 60 1 6 0 0 0\n 18 61 2 0 0 0 0\n 64 63 1 0 0 0 0\n 65 64 1 0 0 0 0\n 66 65 1 0 0 0 0\n 67 66 1 0 0 0 0\n 68 67 1 0 0 0 0\n 69 68 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 80 62 2 0 0 0 0\n 80 50 1 0 0 0 0\nM END", "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2(COC(=O)CCCCCCCCCCCCCCCCC)[C@H]([C@@H]([C@@H](COC(=O)CCCCCCCCCCCCCCCCC)O2)O)O)O)O)O", "formula": "C66H124O14", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 9, "ez_centers": 0, "molecular_weight": "1141.6849", "optical_activity": "UNSPECIFIED", "references": [ "c563f894-dd65-4e7d-aa91-b54f0d9051df", "974452bb-ccfe-4076-b640-d169431ac833" ], "stereo_centers": 9 }, "unii": "71I93STU5M" } ] }