# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CX1' 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 -2.67300 -2.78700 1.61300 1.000 C1 C -1.46700 -3.29200 2.05900 1.000 C2 C -0.90800 -4.39900 1.43800 1.000 O3 O 0.27900 -4.89800 1.87500 1.000 C4 C -1.56100 -4.99700 0.37000 1.000 C5 C -2.76700 -4.48800 -0.07200 1.000 C6 C -3.32300 -3.38500 0.54900 1.000 C7 C -4.63900 -2.83200 0.06500 1.000 C8 C -4.38300 -1.77700 -1.01300 1.000 C9 C -5.69900 -1.31400 -1.58400 1.000 O10 O -6.52000 -2.19300 -2.17900 1.000 O11 O -6.01500 -0.15000 -1.50600 1.000 N12 N -3.67800 -0.63700 -0.42400 1.000 C13 C -2.91400 0.15700 -1.20000 1.000 O14 O -2.81000 -0.07200 -2.38600 1.000 C15 C -2.18800 1.33000 -0.59300 1.000 C16 C -3.20200 2.29000 0.03200 1.000 C17 C -2.47200 3.36700 0.79200 1.000 C18 C -2.10400 4.53600 0.15100 1.000 C19 C -1.43400 5.52400 0.84800 1.000 C20 C -1.13200 5.34400 2.18500 1.000 C21 C -1.50100 4.17500 2.82500 1.000 C22 C -2.17600 3.19000 2.13000 1.000 N23 N -1.43300 2.02900 -1.63600 1.000 C24 C -2.14200 2.74000 -2.70300 1.000 C25 C -0.08500 2.01800 -1.61400 1.000 O26 O 0.54000 2.69000 -2.40800 1.000 C27 C 0.64500 1.17100 -0.60400 1.000 C28 C 0.43800 1.75400 0.79500 1.000 C29 C 1.02700 0.82000 1.82100 1.000 C30 C 1.94200 1.14400 2.75400 1.000 N31 N 2.19700 0.00600 3.47100 1.000 C32 C 1.42800 -0.97400 2.95100 1.000 N33 N 0.72700 -0.47900 1.96700 1.000 N34 N 2.07600 1.15800 -0.92100 1.000 C35 C 2.84500 0.12700 -0.51900 1.000 O36 O 2.35300 -0.79100 0.10700 1.000 O37 O 4.16000 0.11600 -0.81000 1.000 C38 C 4.92800 -1.02600 -0.34500 1.000 C39 C 6.36700 -0.86600 -0.76100 1.000 C40 C 7.26000 -0.21900 0.07400 1.000 C41 C 8.58000 -0.07200 -0.30800 1.000 C42 C 9.00800 -0.57200 -1.52400 1.000 C43 C 8.11600 -1.21900 -2.35800 1.000 C44 C 6.79700 -1.37100 -1.97400 1.000 H45 H -3.11100 -1.92800 2.09900 1.000 H46 H -0.96000 -2.82500 2.89000 1.000 H47 H 0.19200 -5.57300 2.56200 1.000 H48 H -1.12800 -5.85900 -0.11500 1.000 H49 H -3.27700 -4.95300 -0.90300 1.000 H50 H -5.24100 -3.64000 -0.35200 1.000 H51 H -5.17100 -2.37600 0.90000 1.000 H52 H -3.77500 -2.21000 -1.80800 1.000 H53 H -7.35300 -1.84900 -2.53000 1.000 H54 H -3.76000 -0.45300 0.52500 1.000 H55 H -1.50200 0.97500 0.17600 1.000 H56 H -3.80500 2.74400 -0.75400 1.000 H57 H -3.85000 1.74000 0.71400 1.000 H58 H -2.33900 4.67600 -0.89300 1.000 H59 H -1.14500 6.43700 0.34800 1.000 H60 H -0.60800 6.11500 2.72900 1.000 H61 H -1.26500 4.03500 3.87000 1.000 H62 H -2.46400 2.27700 2.63000 1.000 H63 H -2.38400 3.74900 -2.36800 1.000 H64 H -1.50800 2.79400 -3.58800 1.000 H65 H -3.06100 2.20700 -2.94500 1.000 H66 H 0.25700 0.15300 -0.63500 1.000 H67 H 0.93200 2.72400 0.86200 1.000 H68 H -0.62800 1.87500 0.98400 1.000 H69 H 2.39000 2.11500 2.90600 1.000 H70 H 1.39500 -1.99800 3.29500 1.000 H71 H 2.46900 1.89100 -1.42000 1.000 H72 H 4.86800 -1.08600 0.74200 1.000 H73 H 4.52300 -1.93900 -0.78200 1.000 H74 H 6.92500 0.17200 1.02300 1.000 H75 H 9.27800 0.43400 0.34400 1.000 H76 H 10.04000 -0.45700 -1.82200 1.000 H77 H 8.45000 -1.60900 -3.30800 1.000 H78 H 6.09900 -1.87700 -2.62500 1.000 H79 H 2.81400 -0.07900 4.21400 1.000