# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9HZ' 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 0.00000 -3.55900 2.66400 1.000 O1 O -0.64500 -2.43100 2.01700 1.000 C2 C -1.31500 -2.68200 0.88100 1.000 O3 O -1.37500 -3.80900 0.45100 1.000 C4 C -1.99200 -1.55600 0.14100 1.000 C5 C -3.49500 -1.82900 0.06300 1.000 C6 C -4.08300 -1.80400 1.45000 1.000 C7 C -5.08800 -1.00800 1.72200 1.000 C8 C -1.41700 -1.45800 -1.27400 1.000 N9 N 0.04000 -1.29600 -1.20800 1.000 C10 C -1.98300 -0.24700 -1.97200 1.000 N11 N -2.68000 -0.22000 -3.07100 1.000 N12 N -2.94300 1.00100 -3.38600 1.000 C13 C -2.43400 1.81100 -2.49400 1.000 C14 C -2.50600 3.31600 -2.50400 1.000 N15 N -1.82700 1.03500 -1.55800 1.000 C16 C -1.19700 1.44900 -0.38200 1.000 C17 C -1.72100 2.54500 0.29600 1.000 C18 C -1.15600 2.97200 1.48000 1.000 C19 C -0.05800 2.30400 2.00400 1.000 O20 O 0.48900 2.71600 3.17900 1.000 C21 C -0.11700 3.84100 3.81800 1.000 C22 C 0.48100 1.22300 1.33500 1.000 C23 C -0.07300 0.79000 0.12200 1.000 C24 C 0.58900 -0.31400 -0.58300 1.000 C25 C 2.06900 -0.29400 -0.57500 1.000 C26 C 2.78600 -1.48400 -0.70900 1.000 C27 C 4.16500 -1.46000 -0.70100 1.000 C28 C 4.83900 -0.25800 -0.56100 1.000 Cl29 Cl 6.57400 -0.23600 -0.55200 1.000 C30 C 4.13200 0.92500 -0.42800 1.000 C31 C 2.75300 0.91400 -0.44000 1.000 H32 H 0.56300 -3.20900 3.52900 1.000 H33 H -0.75600 -4.27400 2.98800 1.000 H34 H 0.67800 -4.04200 1.96000 1.000 H35 H -1.81900 -0.61900 0.66900 1.000 H36 H -3.97200 -1.06200 -0.54800 1.000 H37 H -3.66400 -2.80700 -0.38600 1.000 H38 H -3.67600 -2.44200 2.22000 1.000 H39 H -5.50900 -0.99000 2.71600 1.000 H40 H -5.49500 -0.37000 0.95100 1.000 H41 H -1.66300 -2.35900 -1.83600 1.000 H42 H -3.40000 3.64000 -1.97100 1.000 H43 H -1.62300 3.72500 -2.01400 1.000 H44 H -2.54800 3.67100 -3.53300 1.000 H45 H -2.57700 3.06500 -0.10800 1.000 H46 H -1.56800 3.82600 1.99700 1.000 H47 H 0.41500 4.06400 4.74300 1.000 H48 H -0.07000 4.70500 3.15500 1.000 H49 H -1.15900 3.61200 4.04400 1.000 H50 H 1.33500 0.70800 1.74800 1.000 H51 H 2.26100 -2.42200 -0.81700 1.000 H52 H 4.72000 -2.38100 -0.80400 1.000 H53 H 4.66300 1.86000 -0.31900 1.000 H54 H 2.20400 1.83800 -0.34100 1.000