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1 0 0 0 0\n104102 2 0 0 0 0\n104103 1 0 0 0 0\n105104 1 0 0 0 0\n106105 1 0 0 0 0\n107106 1 0 0 0 0\n108107 1 0 0 0 0\n109108 1 0 0 0 0\n110109 1 0 0 0 0\n110111 1 0 0 0 0\n111112 1 0 0 0 0\n112113 2 3 0 0 0\n114113 1 0 0 0 0\n114121 1 0 0 0 0\n116115 1 0 0 0 0\n117116 1 0 0 0 0\n118117 1 0 0 0 0\n119118 1 0 0 0 0\n120119 1 0 0 0 0\n121120 1 0 0 0 0\n121122 1 0 0 0 0\n 44 43 1 0 0 0 0\n 45 44 1 0 0 0 0\n 46 45 1 0 0 0 0\n 47 46 1 0 0 0 0\n 48 47 1 0 0 0 0\n 82 48 1 0 0 0 0\n 49 50 2 0 0 0 0\n 49 82 1 0 0 0 0\n 61 50 1 0 0 0 0\n 53 51 1 0 0 0 0\n 53 52 2 0 0 0 0\n 54 53 1 0 0 0 0\n 55 54 1 0 0 0 0\n 56 55 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 59 60 1 0 0 0 0\n 60 61 1 0 0 0 0\n 74 61 1 0 0 0 0\n 64 62 2 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 68 67 1 0 0 0 0\n 69 68 1 0 0 0 0\n 70 69 1 0 0 0 0\n 70 71 1 0 0 0 0\n 71 72 1 0 0 0 0\n 72 73 2 3 0 0 0\n 74 73 1 0 0 0 0\n 74 81 1 0 0 0 0\n 76 75 1 0 0 0 0\n 77 76 1 0 0 0 0\n 78 77 1 0 0 0 0\n 79 78 1 0 0 0 0\n 80 79 1 0 0 0 0\n 81 80 1 0 0 0 0\n 81 82 1 0 0 0 0\nM CHG 8 1 3 10 -1 22 -1 42 3 51 -1 63 -1 91 -1 103 -1\nM STY 2 1 MUL 2 MUL\nM SCN 1 1 HT \nM SAL 1 2 1 42\nM SPA 1 1 1\nM SDI 1 4 2.1165 -6.7974 2.1165 -5.9574\nM SDI 1 4 2.9565 -5.9574 2.9565 -6.7974\nM SMT 1 2\nM SCN 1 2 HT \nM SAL 2 15 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16\nM SAL 2 15 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31\nM SAL 2 15 32 33 34 35 36 37 38 39 40 41 43 44 45 46 47\nM SAL 2 15 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62\nM SAL 2 15 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77\nM SAL 2 15 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92\nM SAL 2 15 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107\nM SAL 2 15 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122\nM SPA 2 15 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16\nM SPA 2 15 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31\nM SPA 2 10 32 33 34 35 36 37 38 39 40 41\nM SDI 2 4 6.2081 -11.6845 6.2081 -1.6950\nM SDI 2 4 18.9889 -1.6950 18.9889 -11.6845\nM SMT 2 3\nM END", "smiles": "CCCCCCC1C=CC(CCCCCCCC(=O)[O-])C(C=CCCCCCCCC(=O)[O-])C1CCCCCC.CCCCCCC1C=CC(CCCCCCCC(=O)[O-])C(C=CCCCCCCCC(=O)[O-])C1CCCCCC.CCCCCCC1C=CC(CCCCCCCC(=O)[O-])C(C=CCCCCCCCC(=O)[O-])C1CCCCCC.[Al+3].[Al+3]", "formula": "3C36H62O4.2Al", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1730.5924", "optical_activity": "UNSPECIFIED", "references": [ "e7439466-81e6-4ed1-9d10-f193b384c835", "ab960da9-2346-49d0-8b84-2d016dd6284f" ], "stereo_centers": 12 }, "unii": "V62D529GV7" } ] }