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38.6661 -7.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.7692 -6.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.0699 -9.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 41.2761 -7.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.5767 -9.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 41.6799 -8.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 37.8585 -4.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.7555 -6.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 37.4548 -3.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.2486 -5.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.9479 -3.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 34.8448 -4.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.8911 -13.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.3979 -13.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 41.7880 -14.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.8017 -15.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.1917 -15.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.6987 -16.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.9685 -11.2138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 25.2664 -11.2138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 30.4788 -8.4257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 39 1 1 1 0 0 0\n 40 2 1 6 0 0 0\n 43 3 1 6 0 0 0\n 44 4 1 1 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 6 0 0 0\n 5 50 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 61 10 1 1 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 11 14 1 0 0 0 0\n 15 52 1 0 0 0 0\n 16 52 1 0 0 0 0\n 54 17 1 1 0 0 0\n 55 17 1 6 0 0 0\n 57 18 1 1 0 0 0\n 19 20 1 0 0 0 0\n 58 19 1 6 0 0 0\n 59 21 1 6 0 0 0\n 60 22 1 1 0 0 0\n 62 23 1 6 0 0 0\n 67 23 1 6 0 0 0\n 64 24 1 1 0 0 0\n 25 26 1 0 0 0 0\n 65 25 1 1 0 0 0\n 73 26 1 6 0 0 0\n 66 27 1 6 0 0 0\n 69 28 1 1 0 0 0\n 29 30 1 0 0 0 0\n 70 29 1 6 0 0 0\n 71 31 1 6 0 0 0\n 72 32 1 1 0 0 0\n 75 33 1 1 0 0 0\n 34 35 1 0 0 0 0\n 76 34 1 6 0 0 0\n 77 36 1 6 0 0 0\n 78 37 1 1 0 0 0\n 38 39 1 0 0 0 0\n 38 40 1 0 0 0 0\n 38 41 1 0 0 0 0\n 38 79 1 1 0 0 0\n 39 42 1 0 0 0 0\n 39 43 1 0 0 0 0\n 40 44 1 0 0 0 0\n 40 45 1 0 0 0 0\n 41 46 1 0 0 0 0\n 42 47 1 0 0 0 0\n 42 48 1 0 0 0 0\n 42 80 1 6 0 0 0\n 43 49 1 0 0 0 0\n 44 49 1 0 0 0 0\n 44 50 1 0 0 0 0\n 45 51 1 0 0 0 0\n 46 47 2 0 0 0 0\n 47 52 1 0 0 0 0\n 48 53 1 0 0 0 0\n 50 51 1 0 0 0 0\n 50 81 1 6 0 0 0\n 52 54 1 0 0 0 0\n 53 54 1 0 0 0 0\n 55 56 1 0 0 0 0\n 55 57 1 0 0 0 0\n 56 58 1 0 0 0 0\n 57 59 1 0 0 0 0\n 58 60 1 0 0 0 0\n 59 60 1 0 0 0 0\n 61 62 1 0 0 0 0\n 61 63 1 0 0 0 0\n 62 64 1 0 0 0 0\n 63 65 1 0 0 0 0\n 64 66 1 0 0 0 0\n 65 66 1 0 0 0 0\n 67 68 1 0 0 0 0\n 67 69 1 0 0 0 0\n 68 70 1 0 0 0 0\n 69 71 1 0 0 0 0\n 70 72 1 0 0 0 0\n 71 72 1 0 0 0 0\n 73 74 1 0 0 0 0\n 73 75 1 0 0 0 0\n 74 76 1 0 0 0 0\n 75 77 1 0 0 0 0\n 76 78 1 0 0 0 0\n 77 78 1 0 0 0 0\nM END", "smiles": "C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O1)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)[C@@]4([H])CC[C@@]5(C)[C@]6([H])CC=C7[C@@]([H])(CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@@H](CO)O8)O)O)O)[C@]6(C)[C@@H](C[C@]45C)O", "formula": "C54H92O24", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 30, "ez_centers": 0, "molecular_weight": "1125.296", "optical_activity": "UNSPECIFIED", "references": [ "f1655087-5b25-45e9-b9c2-1528b9d949e2" ], "stereo_centers": 30 }, "unii": "L34LUJ2UPB" } ] }