# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9AF' 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 6.27000 2.42700 -1.29800 1.000 C1 C 6.24600 -0.05700 -0.89000 1.000 C2 C 5.16600 -0.13900 0.15800 1.000 C3 C 5.49400 -0.04400 1.49800 1.000 C4 C 4.50600 -0.11900 2.46200 1.000 C5 C 6.92600 1.27900 -0.79400 1.000 C6 C 8.14400 1.40800 -0.24100 1.000 C7 C 8.78400 2.77000 -0.15800 1.000 C8 C 8.43600 -0.94400 -0.12500 1.000 C9 C 9.38800 -2.09400 0.08200 1.000 C10 C 7.23000 -1.17100 -0.67300 1.000 C11 C 6.88000 -2.48700 -1.05500 1.000 C12 C 6.20300 -4.70600 -0.57100 1.000 N13 N 1.51800 -0.55500 0.36400 1.000 N14 N -0.75600 -0.22500 0.77700 1.000 O15 O 6.28200 2.65900 -2.49200 1.000 O16 O 6.88000 -2.80000 -2.23100 1.000 O17 O 6.54600 -3.39600 -0.11500 1.000 O18 O 0.80900 0.78500 1.98800 1.000 C19 C 0.53400 0.02900 1.07600 1.000 C20 C 2.85400 -0.38300 0.74500 1.000 C21 C 3.18700 -0.28800 2.09000 1.000 C22 C 3.84800 -0.30200 -0.22100 1.000 N23 N 8.81000 0.31800 0.24900 1.000 O24 O 5.62600 3.26100 -0.45400 1.000 C25 C 4.98600 4.40000 -1.03200 1.000 C26 C -1.82600 0.41000 1.55100 1.000 C27 C -3.18400 -0.04300 1.01100 1.000 C28 C -4.30100 0.62000 1.81900 1.000 N29 N -5.60400 0.18500 1.30100 1.000 C30 C -6.69300 0.60700 2.19100 1.000 C31 C -8.01500 0.01500 1.70000 1.000 C32 C -8.28500 0.49500 0.27100 1.000 C33 C -7.11400 0.08400 -0.62600 1.000 C34 C -5.81700 0.67500 -0.06700 1.000 C35 C -9.55600 -0.13100 -0.24000 1.000 C36 C -10.61300 0.67000 -0.62800 1.000 C37 C -11.78100 0.09200 -1.10400 1.000 O38 O -12.82200 0.87800 -1.48700 1.000 C39 C -13.99300 0.21500 -1.96700 1.000 C40 C -11.88500 -1.28800 -1.18800 1.000 C41 C -10.82600 -2.08500 -0.79900 1.000 C42 C -9.66300 -1.50700 -0.32500 1.000 H43 H 5.79600 -0.16200 -1.87700 1.000 H44 H 6.52500 0.08800 1.79200 1.000 H45 H 4.76600 -0.04600 3.50800 1.000 H46 H 8.57600 3.21000 0.81700 1.000 H47 H 9.86100 2.67400 -0.29100 1.000 H48 H 8.37600 3.41100 -0.94000 1.000 H49 H 10.07000 -2.15800 -0.76500 1.000 H50 H 9.95800 -1.93400 0.99700 1.000 H51 H 8.82300 -3.02300 0.16500 1.000 H52 H 5.95600 -5.33500 0.28300 1.000 H53 H 5.34300 -4.64500 -1.23800 1.000 H54 H 7.04900 -5.13600 -1.10700 1.000 H55 H 1.30100 -1.09500 -0.41200 1.000 H56 H -0.97500 -0.82700 0.05000 1.000 H57 H 2.41600 -0.35100 2.84300 1.000 H58 H 3.59200 -0.37500 -1.26800 1.000 H59 H 5.72800 5.01500 -1.54200 1.000 H60 H 4.23300 4.07000 -1.74800 1.000 H61 H 4.50700 4.98500 -0.24700 1.000 H62 H -1.73700 0.12200 2.59900 1.000 H63 H -1.74300 1.49300 1.46400 1.000 H64 H -3.27300 0.24500 -0.03600 1.000 H65 H -3.26600 -1.12700 1.09800 1.000 H66 H -4.21200 0.33200 2.86700 1.000 H67 H -4.21800 1.70300 1.73200 1.000 H68 H -6.49100 0.25500 3.20300 1.000 H69 H -6.76000 1.69500 2.19200 1.000 H70 H -7.95400 -1.07300 1.71200 1.000 H71 H -8.82500 0.34100 2.35300 1.000 H72 H -8.38500 1.58100 0.26500 1.000 H73 H -7.03800 -1.00300 -0.65000 1.000 H74 H -7.27900 0.46100 -1.63600 1.000 H75 H -5.88900 1.76300 -0.05600 1.000 H76 H -4.98000 0.37200 -0.69600 1.000 H77 H -10.52900 1.74400 -0.56100 1.000 H78 H -14.74500 0.95700 -2.23800 1.000 H79 H -13.73900 -0.38200 -2.84200 1.000 H80 H -14.38900 -0.43400 -1.18600 1.000 H81 H -12.79400 -1.74000 -1.55800 1.000 H82 H -10.90700 -3.16000 -0.86400 1.000 H83 H -8.83400 -2.13200 -0.02500 1.000 H84 H 9.55000 0.44000 0.86300 1.000