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0 0 0 0 0\n 9.3278 -6.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6133 -6.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8989 -6.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1843 -6.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4699 -6.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7555 -6.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0409 -6.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3265 -6.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6120 -6.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8975 -6.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1829 -6.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4684 -6.5652 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 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 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 19 10 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 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 28 19 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 37 38 2 0 0 0 0\n 39 37 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 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 54 55 1 0 0 0 0\n 56 39 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 65 64 1 0 0 0 0\n 66 65 1 0 0 0 0\n 67 66 1 0 0 0 0\n 67 68 1 0 0 0 0\n 68 69 1 0 0 0 0\n 70 1 1 0 0 0 0\n 70 71 2 0 0 0 0\n 72 70 1 0 0 0 0\n 72 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 80 81 1 0 0 0 0\n 81 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 89 72 1 0 0 0 0\n 90 89 1 0 0 0 0\n 91 90 1 0 0 0 0\n 92 91 1 0 0 0 0\n 93 92 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 98 97 1 0 0 0 0\n 99 98 1 0 0 0 0\n100 99 1 0 0 0 0\n100101 1 0 0 0 0\n101102 1 0 0 0 0\nM END", "smiles": "CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OCCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCOC(=O)C(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC", "formula": "C98H194O4", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1436.5902", "optical_activity": "UNSPECIFIED", "references": [ "d0721b1b-5bc8-47c9-9a18-03091d5984fb", "be4fc1e2-3552-4f3a-9890-15767bb0575f" ], "stereo_centers": 4 }, "unii": "VT3R76OJHJ" } ] }