# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JY' 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 -1.53400 2.04300 -7.70000 1.000 C1 C -2.46700 -0.64800 -5.24900 1.000 C2 C -2.38100 0.06700 -6.60100 1.000 C3 C -1.49000 1.30300 -6.47800 1.000 C4 C -0.04700 0.87700 -6.19200 1.000 C5 C -0.03700 0.04800 -4.92300 1.000 C6 C 0.86400 0.26500 -3.94300 1.000 C7 C 0.84200 -0.55600 -2.73100 1.000 C8 C 1.73300 -0.34100 -1.76400 1.000 C9 C 2.79700 0.74200 -1.86100 1.000 C10 C -1.05800 -1.01300 -4.81300 1.000 C11 C 2.80700 1.60400 -0.60000 1.000 C12 C 2.82300 0.74600 0.67600 1.000 C13 C 1.60000 -0.13300 0.66400 1.000 C14 C 1.75900 -1.15100 -0.50100 1.000 C15 C 0.56700 -2.07900 -0.25500 1.000 C16 C 0.58900 -2.26400 1.28800 1.000 C17 C 1.32000 -1.02300 1.86500 1.000 C18 C 0.36500 0.72100 0.37300 1.000 C19 C -0.76300 -2.22800 -4.34900 1.000 C20 C 0.42300 -0.29700 2.86800 1.000 C21 C 1.13400 0.96000 3.37200 1.000 C22 C 0.12500 -1.22200 4.05000 1.000 C23 C -2.94800 0.06300 5.82700 1.000 C24 C -2.38900 0.80600 6.85000 1.000 C25 C -1.00900 0.89300 6.96800 1.000 C26 C -0.19400 0.23000 6.06100 1.000 C27 C -0.75800 -0.50600 5.03800 1.000 C28 C -2.13400 -0.59100 4.92200 1.000 O29 O -0.45700 1.62200 7.97300 1.000 H30 H -0.96500 2.81500 -7.57900 1.000 H31 H -2.92300 0.01200 -4.51300 1.000 H32 H -3.06500 -1.55400 -5.35100 1.000 H33 H -3.38000 0.37000 -6.91500 1.000 H34 H -1.95900 -0.61000 -7.34400 1.000 H35 H -1.85200 1.93000 -5.66200 1.000 H36 H 0.57600 1.76000 -6.05800 1.000 H37 H 0.33100 0.28100 -7.02200 1.000 H38 H 1.60300 1.04600 -4.05300 1.000 H39 H 0.10400 -1.33700 -2.62200 1.000 H40 H 3.77400 0.27600 -1.98500 1.000 H41 H 2.58900 1.37300 -2.72500 1.000 H42 H 3.69200 2.24000 -0.61100 1.000 H43 H 1.91800 2.23500 -0.59400 1.000 H44 H 3.71600 0.12300 0.69200 1.000 H45 H 2.80400 1.39100 1.55500 1.000 H46 H 2.69800 -1.69700 -0.41400 1.000 H47 H 0.71000 -3.03400 -0.76100 1.000 H48 H -0.36100 -1.60700 -0.57400 1.000 H49 H 1.13200 -3.17300 1.54800 1.000 H50 H -0.42800 -2.31100 1.67300 1.000 H51 H 2.25500 -1.32200 2.34100 1.000 H52 H 0.48200 1.21300 -0.59100 1.000 H53 H -0.51900 0.08500 0.35200 1.000 H54 H 0.25200 1.47400 1.15300 1.000 H55 H 0.24600 -2.46000 -4.04600 1.000 H56 H -1.53500 -2.98000 -4.27600 1.000 H57 H -0.51100 -0.01500 2.38200 1.000 H58 H 2.06900 0.67900 3.85700 1.000 H59 H 1.34600 1.61900 2.53000 1.000 H60 H 0.49500 1.47800 4.08600 1.000 H61 H -0.38100 -2.11800 3.69100 1.000 H62 H 1.05900 -1.50300 4.53500 1.000 H63 H -4.02200 -0.00400 5.73500 1.000 H64 H -3.02500 1.31800 7.55600 1.000 H65 H 0.87900 0.29500 6.15100 1.000 H66 H -2.57300 -1.17100 4.12400 1.000 H67 H -0.34200 1.02300 8.72300 1.000