# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FWQ' 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 3.87400 -3.52400 -0.33500 1.000 C1 C 3.65800 -3.10200 -1.63300 1.000 C2 C 2.52200 -3.51400 -2.31400 1.000 C3 C 1.60500 -4.34900 -1.69100 1.000 C4 C 1.82200 -4.75800 -0.39300 1.000 C5 C 2.95600 -4.35000 0.28800 1.000 C6 C 4.65500 -2.21700 -2.32600 1.000 C7 C 4.75800 -0.87800 -1.64800 1.000 C8 C 5.26800 -0.77700 -0.36800 1.000 C9 C 5.37100 0.46100 0.24200 1.000 C10 C 4.95900 1.59900 -0.43000 1.000 C11 C 4.45200 1.50300 -1.71000 1.000 C12 C 4.04000 2.73200 -2.47000 1.000 C13 C 0.39700 -4.81400 -2.45600 1.000 C14 C -0.87600 -4.54300 -1.70600 1.000 C15 C -1.05000 -5.00500 -0.41800 1.000 C16 C -3.25100 -4.05600 -0.37200 1.000 C17 C -1.88800 -3.82600 -2.32900 1.000 C18 C -2.23800 -4.76400 0.25000 1.000 C19 C -3.08000 -3.58900 -1.66000 1.000 C20 C -4.52700 -1.56600 -1.66400 1.000 C21 C -5.04800 -1.57100 -0.38500 1.000 C22 C 4.34400 0.26100 -2.32200 1.000 C23 C -4.18800 -2.85400 -2.36000 1.000 C24 C -5.37600 -0.37900 0.23500 1.000 C25 C -5.18000 0.82100 -0.42600 1.000 C26 C -4.65900 0.83300 -1.70300 1.000 C27 C -4.32000 -0.36200 -2.32300 1.000 C28 C -4.48300 2.12700 -2.44400 1.000 C29 C 3.01700 3.53300 -1.71600 1.000 C30 C 1.81600 3.85300 -2.33300 1.000 C31 C 0.87200 4.61600 -1.65900 1.000 C32 C 1.12200 5.04100 -0.37000 1.000 C33 C 2.31700 4.71700 0.24700 1.000 C34 C 3.26300 3.96400 -0.42800 1.000 C35 C -3.57800 3.06900 -1.69800 1.000 C36 C -3.87700 3.45500 -0.40700 1.000 C37 C -3.04300 4.33500 0.26300 1.000 C38 C -1.91300 4.83200 -0.36200 1.000 C39 C -1.60700 4.44300 -1.65500 1.000 C40 C -2.43900 3.55700 -2.32400 1.000 O41 O 1.56400 3.41900 -3.59600 1.000 O42 O 3.83300 0.16200 -3.57800 1.000 O43 O 2.30600 -3.09900 -3.59000 1.000 O44 O -1.71200 -3.35800 -3.59300 1.000 O45 O -3.78700 -0.35400 -3.57300 1.000 O46 O -2.13700 3.16600 -3.59000 1.000 S47 S 2.63500 5.26200 1.89200 1.000 S48 S 6.02400 0.58800 1.87400 1.000 S49 S 3.23400 -4.88900 1.94200 1.000 S50 S -2.46100 -5.36000 1.89300 1.000 S51 S -6.04200 -0.38800 1.86600 1.000 S52 S -3.42200 4.82400 1.91300 1.000 C53 C -0.40100 4.99900 -2.35900 1.000 O54 O 1.92100 6.51700 2.06400 1.000 O55 O 2.13600 4.22400 2.78200 1.000 O56 O 4.07500 5.43200 2.00600 1.000 O57 O 5.38300 1.73700 2.49400 1.000 O58 O 5.69400 -0.65400 2.55600 1.000 O59 O 7.46000 0.77100 1.73800 1.000 O60 O 4.67600 -4.95600 2.12500 1.000 O61 O 2.61900 -3.90000 2.81400 1.000 O62 O 2.60600 -6.19500 2.06900 1.000 O63 O -1.14500 -5.38500 2.51200 1.000 O64 O -3.36000 -4.43100 2.55800 1.000 O65 O -3.03600 -6.69200 1.78100 1.000 O66 O -6.91100 0.77400 1.97000 1.000 O67 O -6.77800 -1.63400 2.01100 1.000 O68 O -4.91400 -0.31000 2.78000 1.000 O69 O -2.77200 3.86600 2.79400 1.000 O70 O -2.89500 6.16800 2.08400 1.000 O71 O -4.87100 4.78500 2.03900 1.000 H72 H 4.76200 -3.21100 0.19200 1.000 H73 H 1.10400 -5.40000 0.09600 1.000 H74 H 5.63100 -2.70000 -2.31400 1.000 H75 H 4.34300 -2.06900 -3.36000 1.000 H76 H 5.58800 -1.66500 0.15700 1.000 H77 H 5.03500 2.56400 0.04900 1.000 H78 H 4.91800 3.35300 -2.64600 1.000 H79 H 3.61800 2.43200 -3.42900 1.000 H80 H 0.36200 -4.29500 -3.41400 1.000 H81 H 0.48100 -5.88500 -2.63500 1.000 H82 H -0.25900 -5.55600 0.06900 1.000 H83 H -4.17700 -3.86900 0.15100 1.000 H84 H -5.20000 -2.50700 0.13200 1.000 H85 H -3.87900 -2.63500 -3.38200 1.000 H86 H -5.07400 -3.48800 -2.38500 1.000 H87 H -5.43700 1.75100 0.06000 1.000 H88 H -4.05300 1.92100 -3.42400 1.000 H89 H -5.45700 2.59800 -2.57500 1.000 H90 H 0.38400 5.62800 0.15700 1.000 H91 H 4.19500 3.71200 0.05500 1.000 H92 H -4.76100 3.07100 0.08100 1.000 H93 H -1.26700 5.52200 0.16000 1.000 H94 H 1.12800 2.55700 -3.63600 1.000 H95 H 4.49600 0.22800 -4.27800 1.000 H96 H 2.68100 -3.68400 -4.26300 1.000 H97 H -1.99300 -3.97400 -4.28300 1.000 H98 H -2.82100 -0.30100 -3.58800 1.000 H99 H -2.51600 3.73100 -4.27700 1.000 H100 H -0.47700 6.08600 -2.39000 1.000 H101 H -0.37600 4.61600 -3.37900 1.000