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0 0 0\n -0.0050 -3.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6903 -3.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4323 -3.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1178 -3.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0392 -4.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8597 -3.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4803 -1.7011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4986 -1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0397 -0.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2046 -0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6407 -1.4516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7071 -0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8818 -0.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4923 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6670 0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2777 1.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4524 1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0629 2.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2376 2.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8481 2.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0228 3.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6334 3.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1918 3.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5813 4.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4065 4.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7961 5.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6212 5.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3400 5.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2182 0.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 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 15 14 1 0 0 0 0\n 16 15 1 0 0 0 0\n 17 16 1 0 0 0 0\n 17 18 1 0 0 0 0\n 19 17 1 0 0 0 0\n 2 20 1 0 0 0 0\n 21 20 1 6 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 25 1 0 0 0 0\n 21 26 1 0 0 0 0\n 26 27 1 1 0 0 0\n 25 28 1 1 0 0 0\n 28 29 1 0 0 0 0\n 30 29 1 0 0 0 0\n 30 31 1 1 0 0 0\n 32 30 1 0 0 0 0\n 32 33 1 6 0 0 0\n 34 32 1 0 0 0 0\n 34 35 1 1 0 0 0\n 36 35 1 0 0 0 0\n 37 36 1 0 0 0 0\n 37 38 2 0 0 0 0\n 37 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 45 46 1 0 0 0 0\n 46 47 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 51 50 1 0 0 0 0\n 52 51 1 0 0 0 0\n 53 52 1 0 0 0 0\n 53 54 1 0 0 0 0\n 55 53 1 0 0 0 0\n 34 56 1 0 0 0 0\n 56 29 1 0 0 0 0\n 29 57 1 6 0 0 0\n 58 57 1 0 0 0 0\n 59 58 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 63 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 69 70 1 0 0 0 0\n 70 71 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 74 75 1 0 0 0 0\n 76 74 1 0 0 0 0\n 59 77 2 0 0 0 0\n 23 78 1 6 0 0 0\n 79 78 1 0 0 0 0\n 80 79 1 0 0 0 0\n 80 81 2 0 0 0 0\n 80 82 1 0 0 0 0\n 82 83 1 0 0 0 0\n 83 84 1 0 0 0 0\n 84 85 1 0 0 0 0\n 85 86 1 0 0 0 0\n 86 87 1 0 0 0 0\n 87 88 1 0 0 0 0\n 88 89 1 0 0 0 0\n 89 90 1 0 0 0 0\n 90 91 1 0 0 0 0\n 91 92 1 0 0 0 0\n 92 93 1 0 0 0 0\n 94 93 1 0 0 0 0\n 95 94 1 0 0 0 0\n 96 95 1 0 0 0 0\n 97 96 1 0 0 0 0\n 96 98 1 0 0 0 0\n 22 99 1 1 0 0 0\nM END", "smiles": "CC(C)CCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2(COC(=O)CCCCCCCCCCCCCCC(C)C)[C@H]([C@@H]([C@@H](COC(=O)CCCCCCCCCCCCCCC(C)C)O2)O)O)O)OC(=O)CCCCCCCCCCCCCCC(C)C)O", "formula": "C84H158O15", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 9, "ez_centers": 0, "molecular_weight": "1408.1475", "optical_activity": "UNSPECIFIED", "references": [ "04b24441-8111-4bd7-a3f4-5bffc36b5fa3", "14a77188-add3-4fa3-8cc2-8b2c18949105" ], "stereo_centers": 9 }, "unii": "FST191693T" } ] }