# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CI9' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 14.61200 -2.58800 1.98000 1.000 C1 C 13.43100 -3.18400 1.75000 1.000 O2 O 13.11000 -4.15600 2.39100 1.000 C3 C 12.50600 -2.63900 0.69200 1.000 C4 C 11.23900 -3.49500 0.63400 1.000 C5 C 10.30000 -2.94200 -0.44000 1.000 C6 C 9.10900 -3.85400 -0.58400 1.000 O7 O 9.28500 -5.13700 -0.93600 1.000 O8 O 7.99500 -3.43100 -0.38100 1.000 N9 N 9.84600 -1.60500 -0.05100 1.000 C10 C 9.45000 -0.72600 -0.99300 1.000 O11 O 9.46900 -1.04400 -2.16600 1.000 N12 N 9.03200 0.50400 -0.63500 1.000 C13 C 8.60200 1.45900 -1.65900 1.000 C14 C 9.80400 2.18400 -2.20700 1.000 O15 O 10.90700 1.92900 -1.78600 1.000 O16 O 9.64900 3.11200 -3.16400 1.000 C17 C 7.63500 2.47000 -1.03900 1.000 C18 C 6.36000 1.75000 -0.59500 1.000 C19 C 5.39300 2.76100 0.02500 1.000 C20 C 4.11800 2.04200 0.46900 1.000 N21 N 3.19300 3.01000 1.06200 1.000 C22 C 1.91200 3.22000 0.67900 1.000 N23 N 3.45600 3.80300 2.04100 1.000 N24 N 2.42700 4.52400 2.31800 1.000 C25 C 1.43100 4.19300 1.48800 1.000 C26 C 0.04500 4.78500 1.46100 1.000 O27 O -0.72000 4.15900 0.43000 1.000 C28 C -2.05700 4.65000 0.31900 1.000 C29 C -2.78000 3.91200 -0.81000 1.000 O30 O -2.91200 2.53100 -0.46900 1.000 C31 C -3.57700 1.74800 -1.46200 1.000 C32 C -3.66100 0.29400 -0.99300 1.000 O33 O -4.49000 0.21500 0.16800 1.000 C34 C -4.63600 -1.10700 0.68900 1.000 C35 C -5.53900 -1.07100 1.92400 1.000 O36 O -6.85600 -0.66900 1.54000 1.000 C37 C -7.78300 -0.60400 2.62500 1.000 C38 C -9.15200 -0.16500 2.10000 1.000 N39 N -9.68100 -1.19200 1.19900 1.000 C40 C -10.93300 -1.01400 0.59000 1.000 C41 C -11.66800 0.13400 0.84000 1.000 C42 C -12.90200 0.31100 0.24000 1.000 C43 C -13.40700 -0.66100 -0.61400 1.000 N44 N -14.65600 -0.47900 -1.21900 1.000 O45 O -15.40300 0.69600 -0.96100 1.000 O46 O -15.17100 -1.46900 -2.09000 1.000 C47 C -12.67400 -1.81200 -0.86800 1.000 C48 C -11.43400 -1.98800 -0.27200 1.000 N49 N -10.69100 -3.14600 -0.53000 1.000 O50 O -11.01500 -4.20200 0.42800 1.000 O51 O -10.89500 -3.60500 -1.90500 1.000 H52 H 15.17100 -2.97300 2.66800 1.000 H53 H 12.23900 -1.61100 0.93800 1.000 H54 H 13.00600 -2.66300 -0.27500 1.000 H55 H 11.50600 -4.52300 0.38900 1.000 H56 H 10.73900 -3.47000 1.60200 1.000 H57 H 10.82900 -2.88400 -1.39100 1.000 H58 H 9.83100 -1.35100 0.88600 1.000 H59 H 8.49100 -5.68400 -1.01600 1.000 H60 H 9.01700 0.75700 0.30200 1.000 H61 H 8.10000 0.92400 -2.46600 1.000 H62 H 8.10600 2.94100 -0.17700 1.000 H63 H 7.38400 3.23200 -1.77700 1.000 H64 H 10.44900 3.55000 -3.48400 1.000 H65 H 5.88900 1.27900 -1.45800 1.000 H66 H 6.61100 0.98800 0.14300 1.000 H67 H 5.86400 3.23300 0.88700 1.000 H68 H 5.14200 3.52300 -0.71300 1.000 H69 H 3.64700 1.57100 -0.39400 1.000 H70 H 4.36900 1.28000 1.20700 1.000 H71 H 1.38000 2.71400 -0.11300 1.000 H72 H -0.43900 4.62100 2.42400 1.000 H73 H 0.11100 5.85500 1.26600 1.000 H74 H -2.58500 4.48300 1.25800 1.000 H75 H -2.03500 5.71800 0.10000 1.000 H76 H -3.76900 4.34700 -0.95400 1.000 H77 H -2.20500 4.00600 -1.73100 1.000 H78 H -4.58200 2.13800 -1.61900 1.000 H79 H -3.01800 1.79600 -2.39700 1.000 H80 H -4.08700 -0.31900 -1.78700 1.000 H81 H -2.66200 -0.06800 -0.75100 1.000 H82 H -5.08300 -1.75000 -0.06900 1.000 H83 H -3.65700 -1.49800 0.96600 1.000 H84 H -5.57900 -2.06300 2.37400 1.000 H85 H -5.13900 -0.36100 2.64700 1.000 H86 H -7.87000 -1.58600 3.08900 1.000 H87 H -7.42900 0.11700 3.36200 1.000 H88 H -9.83600 -0.02900 2.93800 1.000 H89 H -9.04900 0.77500 1.55800 1.000 H90 H -9.16700 -1.99600 1.02400 1.000 H91 H -11.27800 0.89100 1.50300 1.000 H92 H -13.47300 1.20600 0.43600 1.000 H93 H -13.06700 -2.56800 -1.53200 1.000 H94 H -16.03900 -1.25500 -2.46000 1.000 H95 H -16.25200 0.73100 -1.42300 1.000 H96 H -10.52400 -5.02400 0.28900 1.000 H97 H -10.40000 -4.40400 -2.13000 1.000