# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CZ3' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C 2.94400 -6.84400 0.64600 1.000 C1 C 2.55300 -8.15800 0.48100 1.000 C2 C 1.22400 -8.46200 0.25000 1.000 C3 C 0.28200 -7.45100 0.18400 1.000 C4 C 0.66500 -6.13500 0.34900 1.000 C5 C 2.00000 -5.82600 0.58100 1.000 S6 S 2.49400 -4.14800 0.79100 1.000 C7 C 2.98400 -3.76400 -0.85700 1.000 N8 N 2.86500 -4.54400 -1.90900 1.000 N9 N 3.31900 -3.95800 -2.95800 1.000 N10 N 3.75400 -2.78100 -2.66000 1.000 N11 N 3.54800 -2.60800 -1.28000 1.000 C12 C 3.87500 -1.43000 -0.47300 1.000 C13 C 5.34200 -1.49700 -0.04500 1.000 C14 C 5.56800 -2.72100 0.86800 1.000 C15 C 6.56900 -2.18600 1.92500 1.000 C16 C 6.09500 -0.72100 2.08900 1.000 N17 N 5.69100 -0.30100 0.73500 1.000 C18 C 5.64800 0.97000 0.28700 1.000 O19 O 5.21500 1.20700 -0.82100 1.000 C20 C 6.13800 2.09400 1.16200 1.000 N21 N 6.43900 3.26300 0.33200 1.000 C22 C 7.62700 3.35300 -0.29900 1.000 O23 O 8.41000 2.42800 -0.25300 1.000 C24 C 7.98300 4.60400 -1.06100 1.000 C25 C 6.95600 4.83400 -2.17100 1.000 N26 N 9.31900 4.45400 -1.65200 1.000 C27 C 9.94700 5.76300 -1.87400 1.000 C28 C 5.05400 2.45800 2.18000 1.000 C29 C 5.54300 3.61300 3.05500 1.000 O30 O 3.86600 2.85200 1.49000 1.000 C31 C 2.66000 2.56800 2.20100 1.000 C32 C 1.50500 3.01200 1.40500 1.000 C33 C 0.58300 3.36700 0.77000 1.000 C34 C -0.49800 3.78300 0.02500 1.000 C35 C -1.42000 4.13700 -0.61000 1.000 C36 C -2.57500 4.58200 -1.40600 1.000 O37 O -3.78100 4.29800 -0.69500 1.000 C38 C -4.97200 4.59700 -1.42700 1.000 C39 C -5.33200 6.07100 -1.23400 1.000 C40 C -6.11800 3.72100 -0.91600 1.000 N41 N -6.44100 4.09500 0.46300 1.000 C42 C -5.51500 3.96000 1.43300 1.000 O43 O -4.44000 3.45900 1.17900 1.000 C44 C -5.81500 4.43200 2.83200 1.000 C45 C -5.81400 5.96100 2.86600 1.000 N46 N -4.78900 3.92100 3.75100 1.000 C47 C -5.28400 3.90300 5.13400 1.000 C48 C -5.70100 2.27300 -0.96000 1.000 O49 O -5.55500 1.65300 0.07200 1.000 N50 N -5.49200 1.66800 -2.14500 1.000 C51 C -5.53900 2.32300 -3.46500 1.000 C52 C -5.85600 1.18200 -4.46400 1.000 C53 C -5.05000 0.00400 -3.85600 1.000 C54 C -5.17300 0.24500 -2.33700 1.000 C55 C -3.84900 -0.08800 -1.64500 1.000 N56 N -3.58900 -1.52600 -1.75800 1.000 N57 N -2.96900 -2.20000 -2.82400 1.000 N58 N -2.94400 -3.45000 -2.51100 1.000 N59 N -3.48200 -3.63300 -1.36000 1.000 C60 C -3.88700 -2.48900 -0.85400 1.000 S61 S -4.67400 -2.25300 0.70500 1.000 C62 C -4.62600 -3.90200 1.32400 1.000 C63 C -4.25100 -4.14100 2.64100 1.000 C64 C -4.21400 -5.43500 3.12200 1.000 C65 C -4.55000 -6.49200 2.29600 1.000 C66 C -4.92300 -6.25800 0.98500 1.000 C67 C -4.96800 -4.96600 0.49800 1.000 H68 H 3.98200 -6.60800 0.83100 1.000 H69 H 3.28600 -8.94900 0.53100 1.000 H70 H 0.92100 -9.49000 0.12000 1.000 H71 H -0.75600 -7.69200 0.00300 1.000 H72 H -0.07100 -5.34700 0.29700 1.000 H73 H 3.70900 -0.52800 -1.06200 1.000 H74 H 3.23900 -1.40900 0.41200 1.000 H75 H 5.98200 -1.56800 -0.92500 1.000 H76 H 4.63500 -3.02700 1.34000 1.000 H77 H 6.00500 -3.54600 0.30500 1.000 H78 H 6.47700 -2.73400 2.86300 1.000 H79 H 7.59200 -2.22600 1.55000 1.000 H80 H 5.24600 -0.67100 2.77100 1.000 H81 H 6.91100 -0.09600 2.45300 1.000 H82 H 7.03900 1.78000 1.68800 1.000 H83 H 5.78400 3.97200 0.23600 1.000 H84 H 7.98000 5.45600 -0.38100 1.000 H85 H 5.96500 4.94600 -1.73200 1.000 H86 H 7.21400 5.73900 -2.72200 1.000 H87 H 6.95900 3.98200 -2.85100 1.000 H88 H 9.90400 3.86500 -1.07900 1.000 H89 H 10.93500 5.62300 -2.31300 1.000 H90 H 9.32900 6.35200 -2.55200 1.000 H91 H 10.04300 6.28600 -0.92300 1.000 H92 H 4.84000 1.59200 2.80700 1.000 H93 H 4.77200 3.87200 3.78000 1.000 H94 H 6.45000 3.31200 3.58100 1.000 H95 H 5.75800 4.47900 2.42800 1.000 H96 H 2.58700 1.49500 2.37900 1.000 H97 H 2.66800 3.09400 3.15500 1.000 H98 H -2.50300 5.65500 -1.58400 1.000 H99 H -2.58300 4.05600 -2.36000 1.000 H100 H -4.80700 4.39800 -2.48600 1.000 H101 H -5.49700 6.27000 -0.17500 1.000 H102 H -4.51600 6.69500 -1.59700 1.000 H103 H -6.24000 6.29900 -1.79200 1.000 H104 H -6.99500 3.86600 -1.54700 1.000 H105 H -7.32200 4.43900 0.67800 1.000 H106 H -6.79400 4.06200 3.13800 1.000 H107 H -4.83500 6.33100 2.56000 1.000 H108 H -6.57500 6.34000 2.18400 1.000 H109 H -6.03100 6.30300 3.87800 1.000 H110 H -4.47400 3.00500 3.46800 1.000 H111 H -4.50500 3.52100 5.79400 1.000 H112 H -5.55200 4.91500 5.43800 1.000 H113 H -6.16200 3.26000 5.19800 1.000 H114 H -6.32700 3.07600 -3.48700 1.000 H115 H -4.57500 2.77500 -3.69900 1.000 H116 H -6.92300 0.96000 -4.47700 1.000 H117 H -5.49600 1.42700 -5.46300 1.000 H118 H -5.49500 -0.95200 -4.13400 1.000 H119 H -4.00600 0.04900 -4.16700 1.000 H120 H -5.97300 -0.37200 -1.92900 1.000 H121 H -3.04100 0.46600 -2.12100 1.000 H122 H -3.90900 0.18900 -0.59300 1.000 H123 H -3.98900 -3.31600 3.28600 1.000 H124 H -3.92300 -5.62200 4.14500 1.000 H125 H -4.52000 -7.50300 2.67500 1.000 H126 H -5.18400 -7.08600 0.34200 1.000 H127 H -5.26400 -4.78400 -0.52400 1.000