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0\n 3 9 2 0 0 0 0\n 4 3 1 1 0 0 0\n 5 1 2 0 0 0 0\n 6 4 1 0 0 0 0\n 7 1 1 0 0 0 0\n 8 2 2 0 0 0 0\n 9 14 1 0 0 0 0\n 10 4 1 0 0 0 0\n 11 18 1 0 0 0 0\n 12 19 2 0 0 0 0\n 13 8 1 0 0 0 0\n 14 17 2 0 0 0 0\n 15 20 1 0 0 0 0\n 16 21 2 0 0 0 0\n 17 12 1 0 0 0 0\n 18 13 2 0 0 0 0\n 19 16 1 0 0 0 0\n 20 11 2 0 0 0 0\n 21 24 1 0 0 0 0\n 22 15 2 0 0 0 0\n 23 6 2 0 0 0 0\n 24 25 2 0 0 0 0\n 25 22 1 0 0 0 0\n 26 29 1 0 0 0 0\n 27 5 1 0 0 0 0\n 28 7 1 0 0 0 0\n 29 10 1 0 0 0 0\n 30 5 1 0 0 0 0\n 31 6 1 0 0 0 0\n 32 7 1 0 0 0 0\n 33 7 1 0 0 0 0\n 34 28 1 0 0 0 0\n 35 10 1 0 0 0 0\n 36 10 1 0 0 0 0\n 37 13 1 0 0 0 0\n 38 14 1 0 0 0 0\n 39 16 1 0 0 0 0\n 40 15 1 0 0 0 0\n 34 27 1 0 0 0 0\n 26 23 1 0 0 0 0\nM END", "smiles": "C/C(=C\\C=C\\C=C(/C)\\C=C\\C=C(/C)\\C=C\\C1=C(C)CCCC1(C)C)/C=C/C=C(\\C)/C=C/[C@H]2C(=CCCC2(C)C)C", "formula": "C40H56", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 1, "ez_centers": 9, "molecular_weight": "536.8741", "optical_activity": "UNSPECIFIED", "references": [ "21e46283-2c81-4336-a7b1-54321c91910a", "fc664874-2ba8-4c86-855c-41ed5e2fc297" ], "stereo_centers": 1 }, "unii": "45XWE1Z69V" } ] }