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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1406 -7.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8703 -8.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5628 -7.7428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2874 -8.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9845 -7.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7097 -8.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4064 -7.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1651 -7.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8376 -7.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0234 -6.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8843 -6.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6136 -6.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3062 -6.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2735 -5.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.0838 -5.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1174 -4.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4109 -3.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6733 -4.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9669 -3.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2293 -4.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5229 -3.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2874 -8.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8249 -9.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0813 -9.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0813 -10.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7876 -10.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3471 -10.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3471 -11.6183 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 2.5060 -11.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3471 -12.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4575 -12.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1640 -11.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8422 -12.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5861 -11.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2597 -12.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9892 -12.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6631 -12.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3974 -12.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0802 -12.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7914 -12.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4650 -12.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2038 -12.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8779 -12.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8709 -13.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 -13.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1392 -14.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4143 -15.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6971 -14.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9723 -15.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9652 -16.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2406 -16.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2335 -17.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2041 -13.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6151 -17.1179 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0\n 3.6151 -17.1179 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0\n 3 2 1 0 0 0 0\n 4 3 1 0 0 0 0\n 5 4 1 0 0 0 0\n 6 5 1 0 0 0 0\n 7 5 1 0 0 0 0\n 8 7 1 0 0 0 0\n 9 8 1 0 0 0 0\n 10 8 1 0 0 0 0\n 11 8 1 0 0 0 0\n 12 11 1 0 0 0 0\n 13 12 1 0 0 0 0\n 14 13 1 0 0 0 0\n 15 14 1 0 0 0 0\n 16 15 1 0 0 0 0\n 17 16 1 0 0 0 0\n 18 17 1 0 0 0 0\n 19 18 1 0 0 0 0\n 20 19 1 0 0 0 0\n 21 20 1 0 0 0 0\n 22 21 1 0 0 0 0\n 23 22 1 0 0 0 0\n 24 23 2 0 0 0 0\n 25 24 1 0 0 0 0\n 26 25 1 0 0 0 0\n 27 26 2 0 0 0 0\n 28 27 1 0 0 0 0\n 29 28 1 0 0 0 0\n 30 29 1 0 0 0 0\n 31 30 1 0 0 0 0\n 32 31 1 0 0 0 0\n 33 15 2 0 0 0 0\n 34 2 2 0 0 0 0\n 35 2 1 0 0 0 0\n 36 35 1 0 0 0 0\n 37 36 1 0 0 0 0\n 38 37 1 0 0 0 0\n 39 37 1 0 0 0 0\n 40 39 1 0 0 0 0\n 41 40 1 0 0 0 0\n 42 40 1 0 0 0 0\n 43 40 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 48 1 0 0 0 0\n 50 49 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 2 0 0 0 0\n 57 56 1 0 0 0 0\n 58 57 1 0 0 0 0\n 59 58 2 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 47 2 0 0 0 0\n 66 2 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 68 1 0 0 0 0\n 71 70 1 0 0 0 0\n 72 71 1 0 0 0 0\n 73 71 1 0 0 0 0\n 74 71 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 78 1 0 0 0 0\n 80 79 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 2 0 0 0 0\n 88 87 1 0 0 0 0\n 89 88 1 0 0 0 0\n 90 89 2 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 78 2 0 0 0 0\nM CHG 6 1 -1 8 1 40 1 71 1 97 -1 98 -1\nM STY 1 1 MUL\nM SCN 1 1 HT \nM SAL 1 3 1 97 98\nM SPA 1 1 1\nM SDI 1 4 3.1951 -17.5379 3.1951 -16.6979\nM SDI 1 4 4.0351 -16.6979 4.0351 -17.5379\nM SMT 1 3\nM END", "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCCC[N+](C)(C)CC(COP(=O)(OCC(C[N+](C)(C)CCCNC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)O)OCC(C[N+](C)(C)CCCNC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)O)O.[Cl-].[Cl-].[Cl-]", "formula": "C78H150N6O10P.3Cl", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "defined_stereo": 0, "ez_centers": 6, "molecular_weight": "1469.3954", "optical_activity": "UNSPECIFIED", "references": [ "77e4b36c-2993-49bf-b27f-2f4d707694a2", "2c908f8a-23be-4ac3-a6fd-db84291abb62" ], "stereo_centers": 3 }, "unii": "5Q87K461JO" } ] }