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0 0 0 0 0 0 0 0\n 19.1673 -7.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4485 -7.0640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7549 -7.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4485 -6.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.6913 -7.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.4101 -7.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.0991 -7.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.8180 -7.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.5136 -7.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.2365 -7.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.9282 -7.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.6506 -7.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.3418 -7.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.0608 -7.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.7564 -7.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 30.4792 -7.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 31.1687 -7.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 31.8870 -7.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 32.5807 -7.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 33.2995 -7.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 33.9952 -6.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 34.7135 -7.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.4070 -6.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.1299 -7.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.8217 -6.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 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 9 2 1 0 0 0 0\n 9 10 1 0 0 0 0\n 11 10 2 3 0 0 0\n 12 11 1 0 0 0 0\n 13 12 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 19 21 2 0 0 0 0\n 9 22 1 0 0 0 0\n 23 22 1 0 0 0 0\n 24 23 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 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 2 0 0 0 0\n 30 32 1 0 0 0 0\n 22 33 1 0 0 0 0\n 34 33 2 0 0 0 0\n 34 1 1 0 0 0 0\n 1 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 42 41 2 0 0 0 0\n 43 41 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 49 47 1 0 0 0 0\n 50 41 1 0 0 0 0\n 51 50 1 0 0 0 0\n 52 51 1 0 0 0 0\n 53 52 1 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 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 68 67 1 0 0 0 0\n 69 68 1 0 0 0 0\n 70 69 1 0 0 0 0\n 72 71 2 0 0 0 0\n 73 71 1 0 0 0 0\n 74 73 1 0 0 0 0\n 75 74 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 77 1 0 0 0 0\n 80 71 1 0 0 0 0\n 81 80 1 0 0 0 0\n 82 81 1 0 0 0 0\n 83 82 1 0 0 0 0\n 84 83 1 0 0 0 0\n 85 84 1 0 0 0 0\n 86 85 1 0 0 0 0\n 87 86 1 0 0 0 0\n 88 87 1 0 0 0 0\n 89 88 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\nM END", "smiles": "CCCCCCC1C=CC(CCCCCCCC(=O)O)C(C=CCCCCCCCC(=O)O)C1CCCCCC.CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C", "formula": "C36H64O4.2C27H56N2O", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1410.387", "optical_activity": "UNSPECIFIED", "references": [ "d1528167-4512-43af-b0a1-abc6906bc9e7", "376fe5e4-51ed-4448-9af0-830f4b807ab5" ], "stereo_centers": 4 }, "unii": "08PFF2ZOS8" } ] }