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0 0 0 0\n 8.6218 -0.4626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6013 -2.1338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9864 -1.5151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6680 -5.8058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7174 0.8904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2320 -3.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9271 -6.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8334 -5.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7289 -2.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4494 -8.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6908 -3.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2228 -4.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2532 -8.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6010 -5.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5778 -3.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3319 -7.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7753 -3.7239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5913 -3.1457 0.0000 Co 0 1 0 0 0 0 0 0 0 0 0 0\n 4.3311 1.8215 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0\n 2 10 1 0 0 0 0\n 4 3 1 1 0 0 0\n 4 16 1 0 0 0 0\n 5 13 1 0 0 0 0\n 6 9 2 0 0 0 0\n 7 5 2 0 0 0 0\n 8 1 1 0 0 0 0\n 9 12 1 0 0 0 0\n 10 25 1 0 0 0 0\n 11 7 1 0 0 0 0\n 12 24 2 0 0 0 0\n 13 1 2 0 0 0 0\n 14 6 1 0 0 0 0\n 15 1 1 0 0 0 0\n 16 19 1 0 0 0 0\n 17 8 2 0 0 0 0\n 18 31 1 0 0 0 0\n 19 35 1 1 0 0 0\n 20 27 1 0 0 0 0\n 21 33 1 0 0 0 0\n 22 50 1 0 0 0 0\n 23 3 1 0 0 0 0\n 24 17 1 0 0 0 0\n 26 3 1 0 0 0 0\n 27 5 1 0 0 0 0\n 28 12 1 0 0 0 0\n 29 28 1 0 0 0 0\n 30 26 2 0 0 0 0\n 31 25 1 0 0 0 0\n 32 15 1 0 0 0 0\n 33 19 1 0 0 0 0\n 34 23 2 0 0 0 0\n 35 22 1 0 0 0 0\n 36 23 1 0 0 0 0\n 18 37 1 6 0 0 0\n 15 38 1 1 0 0 0\n 39 34 1 0 0 0 0\n 40 36 2 0 0 0 0\n 20 41 1 1 0 0 0\n 27 42 1 6 0 0 0\n 29 43 1 6 0 0 0\n 44 40 1 0 0 0 0\n 32 45 1 6 0 0 0\n 46 38 1 0 0 0 0\n 47 41 1 0 0 0 0\n 48 22 1 0 0 0 0\n 49 51 1 0 0 0 0\n 50 70 1 0 0 0 0\n 31 51 1 1 0 0 0\n 52 66 1 0 0 0 0\n 53 22 2 0 0 0 0\n 54 68 1 0 0 0 0\n 55 69 1 0 0 0 0\n 56 67 1 0 0 0 0\n 57 52 1 0 0 0 0\n 58 46 2 0 0 0 0\n 59 49 2 0 0 0 0\n 60 47 2 0 0 0 0\n 61 52 2 0 0 0 0\n 16 62 1 1 0 0 0\n 63 55 2 0 0 0 0\n 64 54 2 0 0 0 0\n 65 56 2 0 0 0 0\n 66 37 1 0 0 0 0\n 67 42 1 0 0 0 0\n 68 43 1 0 0 0 0\n 69 45 1 0 0 0 0\n 70 81 1 0 0 0 0\n 71 14 1 0 0 0 0\n 72 13 1 0 0 0 0\n 15 73 1 6 0 0 0\n 74 49 1 0 0 0 0\n 75 46 1 0 0 0 0\n 76 47 1 0 0 0 0\n 77 55 1 0 0 0 0\n 78 54 1 0 0 0 0\n 79 56 1 0 0 0 0\n 11 80 1 6 0 0 0\n 81 57 1 0 0 0 0\n 18 82 1 1 0 0 0\n 20 83 1 6 0 0 0\n 33 84 1 6 0 0 0\n 85 28 1 0 0 0 0\n 86 28 1 0 0 0 0\n 87 84 1 0 0 0 0\n 88 40 1 0 0 0 0\n 89 44 1 0 0 0 0\n 70 90 1 1 0 0 0\n 32 17 1 0 0 0 0\n 20 11 1 0 0 0 0\n 29 6 1 0 0 0 0\n 14 2 2 0 0 0 0\n 18 2 1 0 0 0 0\n 21 4 1 0 0 0 0\n 34 30 1 0 0 0 0\n 44 39 2 0 0 0 0\n 11 25 1 0 0 0 0\n 25 91 1 1 0 0 0\nM CHG 4 10 -1 48 -1 92 3 93 -1\nM END", "smiles": "Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@@H](CO)O3)OP(=O)([O-])O[C@@H](C)CNC(=O)CC[C@]\\4(C)[C@@H](CC(=O)N)[C@]5([H])[C@@]6(C)[C@@](C)(CC(=O)N)[C@H](CCC(=O)N)C(=N6)/C(=C7/[C@@](C)(CC(=O)N)[C@H](CCC(=O)N)C(=N7)/C=C\\8/C(C)(C)[C@H](CCC(=O)N)C(=N8)C(=C4\\[N-]5)/C)/C)O.[CH3-].[Co+3]", "formula": "C62H88N13O14P.CH3.Co", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 14, "ez_centers": 3, "molecular_weight": "1344.3847", "optical_activity": "UNSPECIFIED", "references": [ "389dc048-58b9-4f84-b1a1-245c40dbbc15", "80f99cdb-9d23-4939-b3e0-426d28f8f9c6", "81b8aeb5-460d-4dfe-a095-379d6d816430" ], "stereo_centers": 14 }, "unii": "BR1SN1JS2W" } ] }