# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FJG' 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 -3.66700 1.04600 -1.97200 1.000 C1 C -4.06200 2.79000 -3.81700 1.000 C2 C -6.03200 1.26600 -3.01900 1.000 C3 C 0.12800 2.54900 -0.13100 1.000 C4 C -0.95700 3.51900 0.25900 1.000 C5 C -1.46900 3.17600 1.65900 1.000 C6 C -0.86700 3.06500 4.08100 1.000 C7 C -3.17700 3.72600 3.39800 1.000 C8 C 3.71500 2.02800 -0.23500 1.000 C9 C -3.70700 -4.34000 2.11100 1.000 C10 C -2.97100 -4.44100 0.77300 1.000 N11 N -2.59700 -3.09900 0.31900 1.000 C12 C -3.48100 -2.35000 -0.37000 1.000 O13 O -4.58800 -2.78700 -0.61500 1.000 C14 C -3.10300 -0.99600 -0.82800 1.000 C15 C -1.83400 -0.49300 -0.54900 1.000 C16 C -1.48900 0.78700 -0.98000 1.000 C17 C -2.41300 1.55400 -1.69300 1.000 C18 C -4.01800 -0.21800 -1.54300 1.000 C19 C -4.65900 1.88000 -2.74200 1.000 C20 C -5.89000 2.38800 -1.98800 1.000 C21 C -0.14500 1.32900 -0.68800 1.000 S22 S 1.39000 0.51800 -0.99600 1.000 C23 C 2.25200 1.90800 -0.34200 1.000 N24 N 1.39200 2.81500 0.03400 1.000 C25 C -0.35400 3.40800 2.68100 1.000 C26 C -2.06200 3.95700 4.42000 1.000 C27 C -2.66500 4.06900 1.99800 1.000 O28 O 4.21000 3.03500 0.23500 1.000 N29 N 4.50600 1.02200 -0.65800 1.000 C30 C 5.96200 1.14100 -0.55100 1.000 C31 C 6.57400 0.25600 0.54800 1.000 C32 C 6.68800 -0.84900 -0.51500 1.000 C33 C 6.72700 0.27400 -1.56500 1.000 C34 C 7.96900 -1.63900 -0.42900 1.000 O35 O 8.78600 -1.37500 0.42100 1.000 O36 O 8.20200 -2.63600 -1.29700 1.000 C37 C -1.71100 -5.29000 0.94600 1.000 F38 F -1.03800 -5.38200 -0.27700 1.000 F39 F -0.87300 -4.69400 1.89500 1.000 F40 F -2.06800 -6.57100 1.38000 1.000 H41 H -3.94400 2.22800 -4.74400 1.000 H42 H -4.72700 3.63600 -3.98700 1.000 H43 H -3.08900 3.15400 -3.48600 1.000 H44 H -6.51100 1.51100 -3.96700 1.000 H45 H -6.21900 0.25900 -2.64400 1.000 H46 H -0.55700 4.53300 0.25600 1.000 H47 H -1.77800 3.45100 -0.45500 1.000 H48 H -1.77700 2.13100 1.68800 1.000 H49 H -1.17400 2.01900 4.11000 1.000 H50 H -0.07200 3.23000 4.80900 1.000 H51 H -3.48400 2.68000 3.42700 1.000 H52 H -4.02900 4.36100 3.63900 1.000 H53 H -3.05400 -3.87500 2.85000 1.000 H54 H -4.60500 -3.73500 1.98700 1.000 H55 H -3.98500 -5.33800 2.44800 1.000 H56 H -3.62400 -4.90500 0.03400 1.000 H57 H -1.71400 -2.75000 0.51400 1.000 H58 H -1.12400 -1.09000 0.00300 1.000 H59 H -2.14600 2.54500 -2.02800 1.000 H60 H -5.00200 -0.60700 -1.76000 1.000 H61 H -6.27500 3.37100 -2.25900 1.000 H62 H -5.98300 2.12000 -0.93600 1.000 H63 H 0.49700 2.77200 2.44000 1.000 H64 H -0.04700 4.45300 2.65200 1.000 H65 H -2.42700 3.71300 5.41700 1.000 H66 H -1.75500 5.00300 4.39100 1.000 H67 H -2.35800 5.11400 1.96900 1.000 H68 H -3.45900 3.90300 1.27000 1.000 H69 H 4.11100 0.21900 -1.03200 1.000 H70 H 6.30100 2.17600 -0.51900 1.000 H71 H 7.53700 0.61400 0.91100 1.000 H72 H 5.87900 0.01700 1.35300 1.000 H73 H 5.80300 -1.48200 -0.58500 1.000 H74 H 6.15500 0.04900 -2.46600 1.000 H75 H 7.73200 0.63700 -1.78000 1.000 H76 H 9.03700 -3.11500 -1.20300 1.000