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0 0 0 0 0 0\n 18.1537 -7.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.4124 -6.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9844 -10.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1537 -7.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6655 -7.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7024 -10.7311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3835 -8.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6655 -7.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8625 -6.1503 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 13.1039 -6.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7661 -6.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4032 -10.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3372 -9.1270 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 15.9821 -8.2988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8625 -6.9960 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1039 -10.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4032 -9.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1328 -8.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3103 -7.8936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8625 -7.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8046 -10.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1328 -9.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2350 -9.4976 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 14.5922 -8.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8509 -9.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5922 -9.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5518 -11.8752 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 14.5182 -5.8073 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 8.4504 -7.2219 0.0000 Cu 0 2 0 0 0 0 0 0 0 0 0 0\n 16.5656 -9.7532 0.0000 Cu 0 2 0 0 0 0 0 0 0 0 0 0\n 7 6 2 0 0 0 0\n 11 10 1 0 0 0 0\n 21 20 1 0 0 0 0\n 29 25 1 0 0 0 0\n 35 34 2 0 0 0 0\n 41 40 1 0 0 0 0\n 49 45 1 0 0 0 0\n 53 51 2 0 0 0 0\n 4 1 1 0 0 0 0\n 5 2 2 0 0 0 0\n 5 3 2 0 0 0 0\n 5 4 1 0 0 0 0\n 7 5 1 0 0 0 0\n 8 6 1 0 0 0 0\n 9 7 1 0 0 0 0\n 10 8 2 0 0 0 0\n 11 9 2 0 0 0 0\n 12 10 1 0 0 0 0\n 13 11 1 0 0 0 0\n 17 13 2 0 0 0 0\n 18 14 1 0 0 0 0\n 18 15 2 0 0 0 0\n 18 16 2 0 0 0 0\n 20 17 1 0 0 0 0\n 21 18 1 0 0 0 0\n 22 19 1 0 0 0 0\n 22 20 2 0 0 0 0\n 24 21 2 0 0 0 0\n 25 22 1 0 0 0 0\n 28 23 1 0 0 0 0\n 30 24 1 0 0 0 0\n 30 25 2 0 0 0 0\n 31 26 2 0 0 0 0\n 31 27 2 0 0 0 0\n 31 28 1 0 0 0 0\n 32 29 2 0 0 0 0\n 33 30 1 0 0 0 0\n 35 31 1 0 0 0 0\n 36 32 1 0 0 0 0\n 36 33 2 0 0 0 0\n 37 34 1 0 0 0 0\n 38 35 1 0 0 0 0\n 39 36 1 0 0 0 0\n 40 37 2 0 0 0 0\n 41 38 2 0 0 0 0\n 45 39 1 0 0 0 0\n 46 40 1 0 0 0 0\n 47 41 1 0 0 0 0\n 48 42 1 0 0 0 0\n 48 43 2 0 0 0 0\n 48 44 2 0 0 0 0\n 50 45 2 0 0 0 0\n 52 47 2 0 0 0 0\n 53 48 1 0 0 0 0\n 54 49 2 0 0 0 0\n 55 50 1 0 0 0 0\n 55 51 1 0 0 0 0\n 57 52 1 0 0 0 0\n 57 53 1 0 0 0 0\n 58 54 1 0 0 0 0\n 58 55 2 0 0 0 0\n 59 56 1 0 0 0 0\n 59 57 2 0 0 0 0\n 59 58 1 0 0 0 0\nM CHG 8 12 -1 14 -1 19 -1 42 -1 46 -1 56 -1 60 1 61 1\nM CHG 2 62 2 63 2\nM END", "smiles": "CNS(=O)(=O)c1ccc(c(c1)/N=N/c2c(cc3cc(ccc3c2[O-])Nc4ccc5c(c4)cc(c(c5[O-])/N=N/c6cc(ccc6[O-])S(=O)(=O)NC)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Cu+2].[Cu+2].[Na+].[Na+]", "formula": "C34H23N7O14S4.2Cu.2Na", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 2, "molecular_weight": "1054.9214", "optical_activity": "NONE", "references": [ "9b478f29-4f14-4e40-ba3c-4d308e2042c9", "4e517e1d-c735-4753-a60c-481c65c4cb7d" ], "stereo_centers": 0 }, "unii": "G9EK8VBD7L" } ] }