# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'I6X' 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 4.43100 3.48100 2.34100 1.000 C1 C 2.99300 3.73200 1.88400 1.000 N2 N 2.70100 2.90100 0.71300 1.000 C3 C 2.19200 1.65400 0.88500 1.000 C4 C 1.91400 0.86800 -0.18200 1.000 C5 C 2.15300 1.34000 -1.48000 1.000 C6 C 2.66400 2.59300 -1.65100 1.000 C7 C 2.93600 3.38500 -0.52200 1.000 O8 O 3.38900 4.50900 -0.66000 1.000 C9 C 2.93100 3.12400 -3.03600 1.000 C10 C 1.35000 -0.51400 0.02700 1.000 C11 C 2.27800 -1.54800 -0.56000 1.000 C12 C 2.74800 -1.79600 -1.82700 1.000 C13 C 3.61300 -2.85500 -2.04900 1.000 C14 C 4.00700 -3.66300 -0.99900 1.000 C15 C 3.53900 -3.42300 0.28100 1.000 C16 C 2.66700 -2.35700 0.51100 1.000 C17 C 2.00600 -1.84800 1.72800 1.000 N18 N 1.26700 -0.81500 1.46100 1.000 N19 N 2.15300 -2.39800 2.98300 1.000 F20 F 3.92600 -4.21600 1.30400 1.000 C21 C -0.01300 -0.61900 -0.60800 1.000 C22 C -0.13300 -1.04200 -1.91900 1.000 C23 C -1.38100 -1.14000 -2.50800 1.000 C24 C -2.51400 -0.81700 -1.78800 1.000 C25 C -2.39800 -0.39000 -0.46700 1.000 C26 C -1.13900 -0.29800 0.12300 1.000 C27 C -3.61200 -0.04100 0.31200 1.000 C28 C -4.87700 -0.13500 -0.27000 1.000 C29 C -5.98800 0.20600 0.50700 1.000 C30 C -5.79000 0.62300 1.82400 1.000 N31 N -4.57800 0.69800 2.33400 1.000 C32 C -3.50600 0.38100 1.63700 1.000 C33 C -7.30900 0.12700 -0.04000 1.000 C34 C -8.39200 0.06300 -0.48900 1.000 C35 C -9.75000 -0.01700 -1.05100 1.000 H36 H 4.64900 4.10000 3.21200 1.000 H37 H 4.55200 2.43000 2.60200 1.000 H38 H 5.11900 3.73600 1.53400 1.000 H39 H 2.30600 3.47700 2.69000 1.000 H40 H 2.87200 4.78300 1.62200 1.000 H41 H 2.00600 1.28600 1.88300 1.000 H42 H 1.93400 0.71800 -2.33600 1.000 H43 H 2.04300 3.63600 -3.40500 1.000 H44 H 3.76600 3.82400 -3.00200 1.000 H45 H 3.17700 2.29700 -3.70100 1.000 H46 H 2.44200 -1.16600 -2.64900 1.000 H47 H 3.98200 -3.04900 -3.04500 1.000 H48 H 4.68200 -4.48700 -1.17800 1.000 H49 H 2.72300 -3.17300 3.11000 1.000 H50 H 1.68600 -2.01000 3.74000 1.000 H51 H 0.75000 -1.29600 -2.48600 1.000 H52 H -1.04400 0.02700 1.14800 1.000 H53 H -1.46900 -1.47000 -3.53200 1.000 H54 H -3.48700 -0.89300 -2.24900 1.000 H55 H -4.99400 -0.46200 -1.29200 1.000 H56 H -2.53100 0.45300 2.09600 1.000 H57 H -6.64200 0.88900 2.43300 1.000 H58 H -10.47400 0.28700 -0.29600 1.000 H59 H -9.82500 0.64500 -1.91400 1.000 H60 H -9.95500 -1.04200 -1.36000 1.000