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-0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.4864 -10.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.0739 -9.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.4864 -8.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.0739 -7.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.4864 -7.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.0739 -6.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.4864 -5.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.0614 -14.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.6489 -13.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.8238 -13.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.4113 -12.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.5863 -12.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.1738 -12.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.3487 -12.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.9362 -11.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.1111 -11.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.6986 -10.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.8736 -10.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.4611 -10.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.6360 -10.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.2235 -9.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.3984 -9.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.6360 -8.6830 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 8 1 1 0 0 0 0\n 8 9 2 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 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 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 18 22 2 0 0 0 0\n 23 10 1 0 0 0 0\n 23 24 1 0 0 0 0\n 25 24 2 3 0 0 0\n 26 25 1 0 0 0 0\n 27 26 1 0 0 0 0\n 27 28 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 2 0 0 0 0\n 33 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 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 51 53 1 0 0 0 0\n 23 54 1 0 0 0 0\n 54 1 1 0 0 0 0\n 54 55 1 0 0 0 0\n 55 56 1 0 0 0 0\n 56 57 1 0 0 0 0\n 57 58 1 0 0 0 0\n 58 59 1 0 0 0 0\n 59 60 1 0 0 0 0\n 21 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 71 72 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 74 76 1 0 0 0 0\nM END", "smiles": "CCCCCCC1C=CC(CCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C)C(C=CCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C)C1CCCCCC", "formula": "C72H136O4", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1065.8505", "optical_activity": "UNSPECIFIED", "references": [ "bce202c2-3a6a-4599-bc6f-ea685cc631b9", "2a82f487-4d6e-4cba-b526-35fd465b7df2" ], "stereo_centers": 4 }, "unii": "04P17590AP" } ] }