# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9Q0' 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 3.25600 2.02800 0.80500 1.000 C1 C 2.90500 -2.71500 -0.03700 1.000 C2 C 1.14800 0.78400 1.23200 1.000 C3 C 2.13900 -3.83900 -0.01700 1.000 C4 C 0.81500 -3.81400 0.41300 1.000 C5 C 0.22200 -2.66400 0.83500 1.000 N6 N 0.60900 1.99400 1.63800 1.000 N7 N 2.62600 3.14500 1.22700 1.000 C8 C 1.34600 3.11600 1.62700 1.000 C9 C 2.49500 0.75600 0.79300 1.000 C10 C 2.35100 -1.49200 0.38700 1.000 C11 C 0.95700 -1.46700 0.83900 1.000 C12 C 2.74000 -5.14400 -0.47200 1.000 C13 C 0.01800 -5.09300 0.41000 1.000 C14 C -0.97300 -0.26900 1.70300 1.000 C15 C -1.89200 0.01800 0.51400 1.000 C16 C -3.35100 -0.05900 0.96700 1.000 C17 C -4.27000 0.22900 -0.22200 1.000 C18 C -5.72900 0.15200 0.23100 1.000 C19 C 4.70700 0.84300 -0.92400 1.000 C20 C 4.45400 -0.36700 -0.06300 1.000 C21 C 4.72100 -1.61700 -0.86100 1.000 C22 C 3.67500 1.39800 -1.65700 1.000 C23 C 3.90600 2.51200 -2.44300 1.000 C24 C 5.16900 3.07100 -2.49600 1.000 C25 C 6.20100 2.51600 -1.76200 1.000 C26 C 5.97100 1.40200 -0.97700 1.000 N27 N 0.41800 -0.31300 1.24500 1.000 N28 N 3.05900 -0.36300 0.38600 1.000 N29 N 3.99400 -1.88000 -1.96400 1.000 O30 O 0.83000 4.15300 1.99700 1.000 O31 O 4.41400 2.06500 0.44000 1.000 O32 O -6.58800 0.30500 -0.90000 1.000 O33 O -8.83500 0.60800 -2.23200 1.000 O34 O -8.67400 -1.18600 -0.31700 1.000 O35 O -8.64200 1.28600 0.19100 1.000 O36 O -3.99700 1.53600 -0.72900 1.000 O37 O -3.62400 -1.36700 1.47400 1.000 O38 O -1.61900 1.32600 0.00700 1.000 O39 O 5.59200 -2.38500 -0.51100 1.000 O40 O 5.32000 -0.33300 1.07300 1.000 P41 P -8.19400 0.27500 -0.79300 1.000 H42 H 3.92900 -2.76000 -0.37500 1.000 H43 H -0.80700 -2.67100 1.16300 1.000 H44 H -0.31400 2.03100 1.93400 1.000 H45 H 3.11000 3.98600 1.24200 1.000 H46 H 3.26200 -5.61400 0.36100 1.000 H47 H 1.94800 -5.80600 -0.82400 1.000 H48 H 3.44400 -4.95700 -1.28300 1.000 H49 H 0.06900 -5.55500 1.39600 1.000 H50 H -1.02100 -4.87300 0.16600 1.000 H51 H 0.43000 -5.77700 -0.33200 1.000 H52 H -1.08500 0.51800 2.44800 1.000 H53 H -1.24000 -1.22900 2.14500 1.000 H54 H -1.71500 -0.71900 -0.26900 1.000 H55 H -3.52800 0.67900 1.75000 1.000 H56 H -4.09300 -0.50900 -1.00500 1.000 H57 H -5.91400 -0.81500 0.69900 1.000 H58 H -5.93000 0.94700 0.94900 1.000 H59 H 2.68800 0.96200 -1.61600 1.000 H60 H 3.10000 2.94500 -3.01600 1.000 H61 H 5.35000 3.94000 -3.11000 1.000 H62 H 7.18800 2.95300 -1.80300 1.000 H63 H 6.77600 0.97100 -0.40100 1.000 H64 H 3.34800 -1.23200 -2.28600 1.000 H65 H 4.11600 -2.71800 -2.43700 1.000 H66 H -9.80200 0.60700 -2.24200 1.000 H67 H -8.41500 -1.90000 -0.91600 1.000 H68 H -4.13400 2.24500 -0.08500 1.000 H69 H -3.48700 -2.07500 0.83000 1.000 H70 H -1.75600 2.03400 0.65100 1.000 H71 H 5.20300 0.44600 1.63400 1.000