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0 0 0 0\n 5.0415 -1.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8306 -1.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0498 -2.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4116 -0.9679 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8304 -0.5534 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0783 -3.2949 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6962 -4.3273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8273 -5.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6373 -5.1354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7637 -5.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4103 -6.0764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0243 -6.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4368 -5.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6352 -5.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4286 -6.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6396 -6.9423 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0032 -7.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8051 -7.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3843 -7.6945 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7840 -8.1171 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0477 -5.3611 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4028 -5.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8091 -6.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0315 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8173 -7.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0284 -8.1298 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4093 -6.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1982 -5.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7856 -5.3883 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2033 -6.9887 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4504 -7.7281 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5835 -3.2606 0.0000 Cu 0 2 0 0 0 0 0 0 0 0 0 0\n 1 2 1 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 2 0 0 0 0\n 9 10 1 0 0 0 0\n 11 9 1 0 0 0 0\n 12 11 2 0 0 0 0\n 6 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 11 14 1 0 0 0 0\n 8 15 1 0 0 0 0\n 7 16 1 0 0 0 0\n 17 16 1 0 0 0 0\n 5 17 2 0 0 0 0\n 18 16 2 0 0 0 0\n 19 18 1 0 0 0 0\n 20 19 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 2 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 2 0 0 0 0\n 24 25 1 0 0 0 0\n 24 26 1 0 0 0 0\n 27 26 2 0 0 0 0\n 28 27 1 0 0 0 0\n 19 28 2 0 0 0 0\n 22 28 1 0 0 0 0\n 27 29 1 0 0 0 0\n 26 30 1 0 0 0 0\n 23 31 1 0 0 0 0\n 21 32 1 0 0 0 0\n 33 32 2 0 0 0 0\n 34 33 1 0 0 0 0\n 35 34 2 0 0 0 0\n 36 35 1 0 0 0 0\n 1 36 2 0 0 0 0\n 35 37 1 0 0 0 0\n 37 38 2 0 0 0 0\n 38 39 1 0 0 0 0\n 39 40 2 0 0 0 0\n 40 41 1 0 0 0 0\n 42 40 1 0 0 0 0\n 43 42 2 0 0 0 0\n 37 43 1 0 0 0 0\n 43 44 1 0 0 0 0\n 42 45 1 0 0 0 0\n 39 46 1 0 0 0 0\n 38 33 1 0 0 0 0\n 3 47 1 0 0 0 0\n 48 47 2 0 0 0 0\n 1 48 1 0 0 0 0\n 48 49 1 0 0 0 0\n 49 50 2 0 0 0 0\n 50 51 1 0 0 0 0\n 50 52 1 0 0 0 0\n 53 52 2 0 0 0 0\n 47 53 1 0 0 0 0\n 53 54 1 0 0 0 0\n 52 55 1 0 0 0 0\n 49 56 1 0 0 0 0\nM CHG 3 2 -1 20 -1 57 2\nM END", "smiles": "c12c(c(c(c(c1Br)Cl)Br)Cl)c3[n-]c2nc4-c5c(c(c(c(c5Cl)Br)Cl)Cl)-c(nc6c7c(c(c(c(c7Br)Cl)Br)Cl)c([n-]6)nc8-c9c(c(c(c(c9Cl)Cl)Cl)Br)-c(n3)n8)n4.[Cu+2]", "formula": "C32Br6Cl10N8.Cu", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 4, "molecular_weight": "1393.8934", "optical_activity": "NONE", "references": [ "ccbf64fc-e327-44c9-98d3-a17b34576caa", "5a34ec6b-8bdb-4b0f-8de9-399ba76767ce" ], "stereo_centers": 0 }, "unii": "2O254H06E2" } ] }