# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J3Y' 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 -1.50700 0.41000 -0.62200 1.000 C1 C -1.02100 1.70800 -0.78100 1.000 C2 C 0.33300 1.92100 -0.80900 1.000 C3 C 1.17800 0.81900 -0.67500 1.000 C4 C 2.86800 -0.69100 -0.49400 1.000 C5 C 2.59800 -3.65900 -0.13200 1.000 C6 C 2.81600 -6.18000 0.17500 1.000 C7 C 3.65600 1.69900 -0.78700 1.000 C8 C 5.87100 2.61600 -0.25900 1.000 C9 C 4.98500 0.58600 0.95100 1.000 C10 C -4.03100 1.62200 -2.20900 1.000 C11 C 1.54700 -2.73500 -0.24300 1.000 C12 C 2.05600 -4.88800 0.01900 1.000 C13 C 0.63100 -0.46400 -0.51800 1.000 C14 C -3.80100 1.32800 -0.72600 1.000 C15 C 6.26400 3.18400 1.11000 1.000 C16 C 5.42200 1.25300 2.26000 1.000 C17 C -5.11500 0.98800 -0.07100 1.000 C18 C -5.93400 2.00400 0.38400 1.000 C19 C -7.14100 1.68100 0.98400 1.000 C20 C -7.48200 0.34000 1.10400 1.000 C21 C -6.61000 -0.62200 0.62400 1.000 C22 C 2.64200 0.64400 -0.65600 1.000 F23 F -8.64800 -0.02100 1.68300 1.000 N24 N 1.68200 -1.34900 -0.41200 1.000 N25 N 0.71300 -4.75300 0.00400 1.000 N26 N 0.41500 -3.39400 -0.16100 1.000 N27 N -0.68800 -0.62000 -0.49800 1.000 N28 N 4.79100 1.63600 -0.06200 1.000 N29 N -5.47200 -0.27500 0.05400 1.000 N30 N -2.88000 0.19700 -0.58900 1.000 O31 O 3.47200 2.62800 -1.55000 1.000 O32 O 6.54200 2.10500 2.00500 1.000 H33 H -1.70500 2.53700 -0.88200 1.000 H34 H 0.73400 2.91600 -0.93100 1.000 H35 H 3.84100 -1.15500 -0.43900 1.000 H36 H 3.65300 -3.42900 -0.16600 1.000 H37 H 3.00000 -6.36700 1.23300 1.000 H38 H 2.23000 -6.99900 -0.24200 1.000 H39 H 3.76700 -6.10800 -0.35300 1.000 H40 H 5.52100 3.42200 -0.90400 1.000 H41 H 6.73100 2.12700 -0.71500 1.000 H42 H 5.75700 -0.10700 0.61700 1.000 H43 H 4.05100 0.04800 1.10700 1.000 H44 H -4.71600 2.46300 -2.31100 1.000 H45 H -3.08000 1.86800 -2.68300 1.000 H46 H -4.46000 0.74300 -2.69200 1.000 H47 H -3.37200 2.20600 -0.24300 1.000 H48 H 7.15200 3.80700 1.00400 1.000 H49 H 5.44300 3.78300 1.50500 1.000 H50 H 4.59800 1.84500 2.66000 1.000 H51 H 5.70400 0.48700 2.98300 1.000 H52 H -5.63700 3.03600 0.27400 1.000 H53 H -7.80100 2.45400 1.34900 1.000 H54 H -6.86600 -1.66700 0.71400 1.000 H55 H 0.06700 -5.47100 0.09200 1.000 H56 H -3.22800 -0.70100 -0.47500 1.000