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-7.6409 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8643 -7.2417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0406 -4.6548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0758 -2.6343 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0\n 5.8456 -0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6461 -0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2192 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9918 -1.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5649 -2.4564 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0197 -0.8704 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8736 0.3165 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2726 -0.0826 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2615 -5.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6681 -5.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8677 -6.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6607 -6.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2542 -6.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0546 -5.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0472 -6.4673 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8603 -7.6135 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2742 -7.1587 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 8 12 2 0 0 0 0\n 11 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 2 0 0 0 0\n 15 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 19 22 1 0 0 0 0\n 18 23 1 0 0 0 0\n 17 24 1 0 0 0 0\n 16 25 2 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 2 0 0 0 0\n 27 28 1 0 0 0 0\n 28 29 2 0 0 0 0\n 2 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 2 0 0 0 0\n 31 32 1 0 0 0 0\n 32 33 2 0 0 0 0\n 28 33 1 0 0 0 0\n 33 34 1 0 0 0 0\n 32 35 1 0 0 0 0\n 31 36 1 0 0 0 0\n 30 37 1 0 0 0 0\n 27 38 1 0 0 0 0\n 38 2 2 0 0 0 0\n 25 39 1 0 0 0 0\n 39 14 1 0 0 0 0\n 10 40 1 0 0 0 0\n 40 41 2 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 2 0 0 0 0\n 9 43 1 0 0 0 0\n 43 44 1 0 0 0 0\n 42 45 1 0 0 0 0\n 41 46 1 0 0 0 0\n 40 47 1 0 0 0 0\n 6 48 1 0 0 0 0\n 48 49 2 0 0 0 0\n 4 49 1 0 0 0 0\n 49 50 1 0 0 0 0\n 50 51 2 0 0 0 0\n 51 52 1 0 0 0 0\n 52 53 2 0 0 0 0\n 53 48 1 0 0 0 0\n 52 54 1 0 0 0 0\n 51 55 1 0 0 0 0\n 50 56 1 0 0 0 0\nM CHG 3 1 2 5 -1 39 -1\nM END", "smiles": "c1c2c(c(c(c1Cl)Cl)Cl)c3[n-]c2nc4-c5c(c(c(c(c5Cl)Cl)Cl)Cl)-c(n4)nc6c7c(c(c(c(c7Cl)Cl)Cl)Cl)c(nc8-c9c(c(c(c(c9Cl)Cl)Cl)Cl)-c(n3)n8)[n-]6.[Cu+2]", "formula": "C32HCl15N8.Cu", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 4, "molecular_weight": "1092.7448", "optical_activity": "NONE", "references": [ "b8c9ac9d-6248-4bb6-beba-612212678713", "27ee192e-9102-4ca6-98ea-38f25162a03a" ], "stereo_centers": 0 }, "unii": "BPO9294G4W" } ] }