# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JHG' 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 -0.49300 -1.59700 -0.29600 1.000 C1 C -1.29200 -1.13200 0.93900 1.000 N2 N 0.94000 -1.66800 0.02100 1.000 C3 C 1.75500 -1.52000 -1.19200 1.000 C4 C 3.21600 -1.59800 -0.82800 1.000 C5 C 3.86200 -2.82000 -0.82300 1.000 C6 C 5.20100 -2.89300 -0.48900 1.000 C7 C 5.89500 -1.74300 -0.16200 1.000 C8 C 7.35500 -1.82200 0.20300 1.000 F9 F 8.13200 -1.68100 -0.95200 1.000 F10 F 7.66700 -0.79700 1.10300 1.000 F11 F 7.62200 -3.06000 0.79600 1.000 C12 C 5.24900 -0.52100 -0.16800 1.000 C13 C 3.91100 -0.44800 -0.50600 1.000 C14 C -1.04100 -3.00200 -0.62200 1.000 N15 N -2.40500 -3.01800 -0.03500 1.000 C16 C -2.25500 -2.29600 1.25500 1.000 N17 N -2.04700 0.08400 0.62800 1.000 C18 C -2.94800 0.11200 -0.52700 1.000 C19 C -4.32500 -0.41200 -0.11200 1.000 C20 C -5.23600 -0.48000 -1.33900 1.000 C21 C -6.59200 -0.99600 -0.93000 1.000 C22 C -7.57700 -0.11100 -0.53500 1.000 C23 C -8.82100 -0.58400 -0.16000 1.000 C24 C -9.07900 -1.94200 -0.18100 1.000 C25 C -8.09400 -2.82600 -0.57700 1.000 C26 C -6.85200 -2.35300 -0.95600 1.000 S27 S -1.88300 1.42800 1.58100 1.000 O28 O -3.12500 2.11500 1.52500 1.000 O29 O -1.29200 0.98800 2.79700 1.000 C30 C -0.69900 2.47700 0.80500 1.000 C31 C -1.11600 3.42800 -0.11000 1.000 C32 C -0.19400 4.25200 -0.72100 1.000 C33 C 1.16200 4.12500 -0.41600 1.000 C34 C 2.15500 5.00500 -1.06700 1.000 N35 N 3.46400 4.88000 -0.77100 1.000 O36 O 1.79200 5.84200 -1.87100 1.000 C37 C 1.57600 3.16400 0.50700 1.000 C38 C 0.64300 2.34900 1.11600 1.000 H39 H -0.66100 -0.91900 -1.13300 1.000 H40 H -0.62100 -0.95700 1.78000 1.000 H41 H 1.19200 -0.97900 0.71300 1.000 H42 H 1.51200 -2.31800 -1.89300 1.000 H43 H 1.54700 -0.55400 -1.65300 1.000 H44 H 3.32000 -3.71900 -1.07900 1.000 H45 H 5.70600 -3.84800 -0.48400 1.000 H46 H 5.79100 0.37800 0.08800 1.000 H47 H 3.40700 0.50700 -0.51400 1.000 H48 H -1.09000 -3.15000 -1.70100 1.000 H49 H -0.41900 -3.77000 -0.16000 1.000 H50 H -3.06400 -2.54900 -0.63800 1.000 H51 H -1.82400 -2.95200 2.01000 1.000 H52 H -3.21900 -1.91100 1.58900 1.000 H53 H -3.04300 1.13500 -0.89000 1.000 H54 H -2.54400 -0.51900 -1.31900 1.000 H55 H -4.22000 -1.40800 0.31900 1.000 H56 H -4.76100 0.25900 0.62800 1.000 H57 H -5.34100 0.51600 -1.76900 1.000 H58 H -4.80000 -1.15100 -2.07900 1.000 H59 H -7.37600 0.95000 -0.51800 1.000 H60 H -9.59100 0.10800 0.15000 1.000 H61 H -10.05000 -2.31100 0.11300 1.000 H62 H -8.29500 -3.88800 -0.59300 1.000 H63 H -6.08300 -3.04400 -1.26900 1.000 H64 H -2.16500 3.52500 -0.34500 1.000 H65 H -0.52100 4.99400 -1.43500 1.000 H66 H 3.75400 4.21200 -0.13000 1.000 H67 H 4.11600 5.45700 -1.19800 1.000 H68 H 2.62400 3.06000 0.74800 1.000 H69 H 0.96200 1.60800 1.83400 1.000