# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0ZR' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -6.69800 0.11600 1.14900 1.000 C1 C -6.05000 0.89700 0.48100 1.000 O2 O -6.27200 2.22100 0.58900 1.000 C3 C -7.30000 2.64300 1.52300 1.000 C4 C -6.93300 2.17100 2.93200 1.000 C5 C -7.40700 4.16900 1.50800 1.000 C6 C -8.64200 2.03300 1.11400 1.000 N7 N -5.10600 0.43900 -0.36500 1.000 C8 C -4.86100 -1.00100 -0.47800 1.000 C9 C -3.42800 -1.23700 -0.96200 1.000 O10 O -3.24900 -0.62200 -2.23900 1.000 C11 C -5.84400 -1.60800 -1.48000 1.000 C12 C -7.24800 -1.48400 -0.94500 1.000 C13 C -8.00200 -0.36300 -1.23700 1.000 C14 C -7.78300 -2.49400 -0.16800 1.000 C15 C -9.28900 -0.24800 -0.74600 1.000 C16 C -9.07000 -2.37900 0.32300 1.000 C17 C -9.82200 -1.25600 0.03600 1.000 C18 C -2.44500 -0.63000 0.04000 1.000 N19 N -1.07000 -0.85700 -0.42400 1.000 C20 C -0.09700 -0.24900 0.49400 1.000 C21 C 1.18900 0.02100 -0.24400 1.000 O22 O 1.28600 -0.26600 -1.41900 1.000 C23 C 0.17300 -1.20400 1.65800 1.000 C24 C 0.67600 -2.52000 1.12100 1.000 C25 C 2.03500 -2.76100 1.04500 1.000 C26 C -0.22200 -3.48700 0.71000 1.000 C27 C 2.49500 -3.96800 0.55300 1.000 C28 C 0.23800 -4.69400 0.21800 1.000 C29 C 1.59700 -4.93300 0.13700 1.000 N30 N 2.23100 0.58100 0.40100 1.000 C31 C 3.48200 0.84200 -0.31700 1.000 C32 C 4.62700 0.87100 0.66300 1.000 O33 O 4.41900 0.69000 1.84400 1.000 C34 C 3.38700 2.19300 -1.03000 1.000 C35 C 2.30700 2.12400 -2.11100 1.000 C36 C 2.21400 3.45400 -2.81300 1.000 O37 O 2.94000 4.36700 -2.48200 1.000 N38 N 1.32300 3.62900 -3.81000 1.000 N39 N 5.88100 1.09700 0.22700 1.000 C40 C 6.99400 1.12500 1.17900 1.000 C41 C 7.10900 2.50300 1.77800 1.000 O42 O 6.33700 3.37600 1.44300 1.000 C43 C 8.29500 0.77400 0.45300 1.000 C44 C 8.22800 -0.64800 -0.04000 1.000 C45 C 7.72400 -0.92000 -1.29800 1.000 C46 C 8.67500 -1.68000 0.76300 1.000 C47 C 7.66200 -2.22500 -1.75100 1.000 C48 C 8.61300 -2.98500 0.31100 1.000 C49 C 8.10400 -3.25700 -0.94500 1.000 N50 N 8.06900 2.76500 2.68700 1.000 H51 H -5.97700 2.60500 3.22300 1.000 H52 H -7.70500 2.48800 3.63300 1.000 H53 H -6.85700 1.08400 2.94200 1.000 H54 H -7.66800 4.50500 0.50500 1.000 H55 H -8.17900 4.48600 2.21000 1.000 H56 H -6.45100 4.60400 1.80000 1.000 H57 H -8.56600 0.94600 1.12500 1.000 H58 H -9.41400 2.35000 1.81600 1.000 H59 H -8.90300 2.37000 0.11100 1.000 H60 H -4.58900 1.06300 -0.89900 1.000 H61 H -4.99800 -1.47000 0.49600 1.000 H62 H -3.24600 -2.30900 -1.04600 1.000 H63 H -3.39600 0.33400 -2.23900 1.000 H64 H -5.76900 -1.07900 -2.43000 1.000 H65 H -5.60500 -2.66100 -1.63200 1.000 H66 H -7.58500 0.42400 -1.84800 1.000 H67 H -7.19500 -3.37200 0.05600 1.000 H68 H -9.87800 0.62800 -0.97400 1.000 H69 H -9.48800 -3.16800 0.93000 1.000 H70 H -10.82800 -1.16600 0.42000 1.000 H71 H -2.62800 0.44200 0.12500 1.000 H72 H -2.58200 -1.09900 1.01500 1.000 H73 H -0.94400 -0.51300 -1.36400 1.000 H74 H -0.49800 0.68900 0.87900 1.000 H75 H 0.92500 -0.77000 2.31700 1.000 H76 H -0.74900 -1.36700 2.21500 1.000 H77 H 2.73600 -2.00700 1.37000 1.000 H78 H -1.28400 -3.30000 0.77400 1.000 H79 H 3.55700 -4.15700 0.49300 1.000 H80 H -0.46300 -5.44900 -0.10300 1.000 H81 H 1.95700 -5.87600 -0.24800 1.000 H82 H 2.15400 0.81000 1.34000 1.000 H83 H 3.65100 0.05500 -1.05100 1.000 H84 H 3.13000 2.96800 -0.30800 1.000 H85 H 4.34700 2.42900 -1.49000 1.000 H86 H 2.56400 1.34900 -2.83300 1.000 H87 H 1.34700 1.88800 -1.65100 1.000 H88 H 0.74300 2.89900 -4.07500 1.000 H89 H 1.26300 4.48500 -4.26200 1.000 H90 H 6.04800 1.24200 -0.71800 1.000 H91 H 6.81300 0.39800 1.97100 1.000 H92 H 8.43100 1.44700 -0.39400 1.000 H93 H 9.13400 0.88100 1.14000 1.000 H94 H 7.37800 -0.11300 -1.92700 1.000 H95 H 9.07300 -1.46700 1.74400 1.000 H96 H 7.26700 -2.43700 -2.73300 1.000 H97 H 8.96300 -3.79100 0.93800 1.000 H98 H 8.05600 -4.27700 -1.29900 1.000 H99 H 8.68700 2.06700 2.95500 1.000 H100 H 8.14300 3.65200 3.07200 1.000