# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J6D' 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 -6.07500 1.00700 -0.49100 1.000 C1 C -7.07400 0.33400 -1.19900 1.000 C2 C -8.32200 0.90300 -1.33500 1.000 C3 C -8.58700 2.14200 -0.77100 1.000 C4 C -7.59900 2.81500 -0.06800 1.000 C5 C 0.96900 -1.13000 0.83700 1.000 C6 C 1.41900 -2.19400 1.61900 1.000 C7 C 2.72700 -2.22400 2.06300 1.000 C8 C 3.59600 -1.20300 1.73700 1.000 C9 C 3.15700 -0.13200 0.95500 1.000 C10 C 8.03000 0.73300 -2.13500 1.000 O11 O -4.36200 -0.78500 -0.84400 1.000 C12 C -4.73800 0.40400 -0.34300 1.000 C13 C -3.67200 0.97400 0.33300 1.000 C14 C -2.56300 0.00700 0.20700 1.000 C15 C -3.07600 -1.06400 -0.54200 1.000 C16 C -1.24700 -0.01200 0.65700 1.000 C17 C -0.43600 -1.10000 0.36300 1.000 C18 C -0.94900 -2.17100 -0.38600 1.000 C19 C -2.25800 -2.14900 -0.83200 1.000 C20 C -3.64900 2.26600 1.02700 1.000 O21 O -3.95100 2.33000 2.20400 1.000 N22 N -3.29400 3.38300 0.36000 1.000 C23 C -6.34600 2.25800 0.07100 1.000 F24 F -9.81200 2.69500 -0.90600 1.000 C25 C 1.83800 -0.09400 0.50900 1.000 C26 C 4.08900 0.96200 0.60600 1.000 N27 N 5.36300 0.92700 1.04400 1.000 O28 O 3.70600 1.89300 -0.07500 1.000 C29 C 6.25600 2.06000 0.79000 1.000 C30 C 7.03200 2.00000 -0.50000 1.000 C31 C 6.94100 2.70400 1.99800 1.000 C32 C 5.80600 3.43800 1.28100 1.000 N33 N 7.35000 0.82500 -1.00400 1.000 C34 C 8.41400 1.89500 -2.78700 1.000 C35 C 8.06700 3.11200 -2.22300 1.000 N36 N 7.38500 3.12500 -1.08900 1.000 N37 N -0.13400 -3.26400 -0.68200 1.000 S38 S -0.16800 -4.60800 0.28400 1.000 O39 O 1.17100 -5.08400 0.27000 1.000 O40 O -0.77300 -4.15900 1.48800 1.000 C41 C -1.26300 -5.76300 -0.58600 1.000 C42 C -3.27200 4.67400 1.05300 1.000 C43 C 0.75300 -3.22100 -1.84800 1.000 C44 C 2.06500 -2.53200 -1.46600 1.000 H45 H -6.86900 -0.63100 -1.64000 1.000 H46 H -9.09500 0.38400 -1.88200 1.000 H47 H -7.81100 3.78000 0.36900 1.000 H48 H 0.74300 -2.99600 1.87700 1.000 H49 H 3.07000 -3.05000 2.66800 1.000 H50 H 4.61700 -1.23200 2.08800 1.000 H51 H 8.28600 -0.23400 -2.54300 1.000 H52 H -0.85800 0.81500 1.23300 1.000 H53 H -2.64500 -2.97700 -1.40700 1.000 H54 H -3.05300 3.33200 -0.57800 1.000 H55 H -5.57800 2.78300 0.61800 1.000 H56 H 1.49300 0.73100 -0.09700 1.000 H57 H 5.68900 0.15100 1.52600 1.000 H58 H 6.72700 2.28400 2.98100 1.000 H59 H 7.95300 3.08400 1.85900 1.000 H60 H 6.07100 4.30100 0.67000 1.000 H61 H 4.84500 3.50100 1.79200 1.000 H62 H 8.97000 1.85200 -3.71100 1.000 H63 H 8.35000 4.03800 -2.70300 1.000 H64 H -1.34400 -6.68800 -0.01400 1.000 H65 H -2.25000 -5.31500 -0.69500 1.000 H66 H -0.85200 -5.98100 -1.57200 1.000 H67 H -2.96300 5.45400 0.35800 1.000 H68 H -4.26800 4.89900 1.43300 1.000 H69 H -2.56800 4.62800 1.88400 1.000 H70 H 0.96100 -4.23700 -2.18300 1.000 H71 H 0.27000 -2.66500 -2.65100 1.000 H72 H 2.72400 -2.50100 -2.33300 1.000 H73 H 1.85700 -1.51600 -1.13100 1.000 H74 H 2.54700 -3.08900 -0.66300 1.000