# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '01E' 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 -8.49800 -2.13400 -0.65600 1.000 C1 C -9.23100 -3.27100 0.05800 1.000 C2 C -9.08400 -3.10100 1.57100 1.000 C3 C -10.71400 -3.23700 -0.31700 1.000 C4 C -8.62900 -4.61200 -0.36600 1.000 C5 C -7.03800 -2.16700 -0.28700 1.000 O6 O -6.62400 -3.01700 0.47300 1.000 N7 N -6.19200 -1.25300 -0.80100 1.000 C8 C -4.77200 -1.28600 -0.44200 1.000 C9 C -4.03600 -2.26600 -1.35700 1.000 C10 C -4.08300 -1.75200 -2.79800 1.000 C11 C -2.57900 -2.38900 -0.90700 1.000 C12 C -4.71000 -3.63700 -1.28300 1.000 C13 C -4.18100 0.09200 -0.60200 1.000 O14 O -4.79100 0.94600 -1.21000 1.000 N15 N -2.97600 0.37400 -0.07000 1.000 C16 C -2.35500 1.67900 -0.31300 1.000 C17 C -2.22400 2.43600 1.01000 1.000 C18 C -3.59700 2.75300 1.54500 1.000 O19 O -4.57900 2.37500 0.95100 1.000 N20 N -3.73000 3.45700 2.68700 1.000 C21 C -4.91600 3.80900 3.27700 1.000 C22 C -4.63700 4.50300 4.39600 1.000 C23 C -2.70100 3.93600 3.45600 1.000 C24 C -3.23200 4.58700 4.50800 1.000 C25 C -0.98800 1.48000 -0.91500 1.000 O26 O -0.57300 0.35900 -1.12100 1.000 N27 N -0.22600 2.54800 -1.22500 1.000 C28 C 1.10300 2.35500 -1.81100 1.000 C29 C 1.97800 3.57200 -1.50200 1.000 O30 O 1.44000 4.72300 -2.15500 1.000 C31 C 0.97400 2.19200 -3.32600 1.000 C32 C 3.37900 3.32100 -1.99600 1.000 O33 O 3.83600 4.00000 -2.89100 1.000 N34 N 4.12400 2.34300 -1.44400 1.000 C35 C 5.48600 2.10000 -1.92600 1.000 C36 C 6.09700 0.96100 -1.14900 1.000 C37 C 5.95300 -0.33800 -1.60000 1.000 C38 C 6.51300 -1.38200 -0.88800 1.000 C39 C 7.21800 -1.12700 0.27500 1.000 I40 I 8.06700 -2.70900 1.35400 1.000 C41 C 7.36100 0.17300 0.72500 1.000 C42 C 6.80500 1.21700 0.01000 1.000 H43 H -8.60300 -2.25500 -1.73500 1.000 H44 H -8.92800 -1.17900 -0.35500 1.000 H45 H -9.51400 -2.14600 1.87300 1.000 H46 H -9.60700 -3.91100 2.08000 1.000 H47 H -8.02800 -3.12500 1.83900 1.000 H48 H -10.81900 -3.35800 -1.39600 1.000 H49 H -11.23700 -4.04700 0.19100 1.000 H50 H -11.14400 -2.28200 -0.01500 1.000 H51 H -7.57200 -4.63600 -0.09900 1.000 H52 H -9.15100 -5.42200 0.14300 1.000 H53 H -8.73400 -4.73300 -1.44400 1.000 H54 H -6.52300 -0.57300 -1.40900 1.000 H55 H -4.66600 -1.60700 0.59500 1.000 H56 H -3.60300 -0.77500 -2.85100 1.000 H57 H -3.55900 -2.45000 -3.45000 1.000 H58 H -5.12100 -1.66400 -3.11800 1.000 H59 H -2.54500 -2.76200 0.11600 1.000 H60 H -2.05300 -3.08200 -1.56400 1.000 H61 H -2.10100 -1.41100 -0.95300 1.000 H62 H -5.74900 -3.54900 -1.60400 1.000 H63 H -4.18700 -4.33600 -1.93600 1.000 H64 H -4.67700 -4.00300 -0.25700 1.000 H65 H -2.51900 -0.28600 0.47400 1.000 H66 H -2.97500 2.25300 -1.00100 1.000 H67 H -1.68700 1.81900 1.73000 1.000 H68 H -1.67600 3.36400 0.84500 1.000 H69 H -5.90200 3.57200 2.90800 1.000 H70 H -5.35700 4.92100 5.08400 1.000 H71 H -1.64700 3.81500 3.25200 1.000 H72 H -2.68200 5.07900 5.29600 1.000 H73 H -0.55800 3.44500 -1.06100 1.000 H74 H 1.56000 1.46100 -1.38600 1.000 H75 H 0.51600 3.08600 -3.75000 1.000 H76 H 1.96200 2.04800 -3.76200 1.000 H77 H 0.35000 1.32500 -3.54600 1.000 H78 H 3.75800 1.80000 -0.72900 1.000 H79 H 5.45700 1.84300 -2.98400 1.000 H80 H 6.08700 2.99800 -1.78600 1.000 H81 H 5.40400 -0.53700 -2.50800 1.000 H82 H 6.40100 -2.39700 -1.23900 1.000 H83 H 7.91100 0.37300 1.63300 1.000 H84 H 6.92100 2.23300 0.35900 1.000 H85 H 1.99700 3.74100 -0.42500 1.000 H86 H 1.39300 4.64300 -3.11800 1.000