# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J53' 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 -6.02100 2.10300 -2.30300 1.000 C1 C -5.10400 2.70300 -1.79300 1.000 O2 O -4.01900 3.01400 -2.51900 1.000 C3 C -5.18200 3.10700 -0.34300 1.000 C4 C -5.96300 4.41800 -0.22100 1.000 C5 C -5.91000 4.90900 1.22700 1.000 C6 C -5.89500 2.01300 0.45400 1.000 C7 C -5.08800 0.74200 0.39400 1.000 C8 C -5.36200 -0.20500 -0.57700 1.000 C9 C -4.62300 -1.37100 -0.63400 1.000 C10 C -3.60600 -1.59200 0.28300 1.000 O11 O -2.87800 -2.73800 0.22900 1.000 C12 C -3.21400 -3.67200 -0.79900 1.000 C13 C -2.29400 -4.89100 -0.70200 1.000 C14 C -2.65400 -5.89100 -1.80200 1.000 C15 C -1.73400 -7.10900 -1.70500 1.000 C16 C -4.07200 0.52600 1.30600 1.000 C17 C -3.33300 -0.64100 1.25600 1.000 C18 C -2.23000 -0.87800 2.25400 1.000 N19 N -0.93800 -0.56500 1.63700 1.000 C20 C 0.19900 -0.70400 2.34700 1.000 O21 O 0.15300 -1.08900 3.49900 1.000 C22 C 1.50200 -0.38700 1.72500 1.000 C23 C 1.55800 0.06100 0.40400 1.000 C24 C 2.77700 0.35500 -0.17000 1.000 C25 C 3.94300 0.20600 0.56000 1.000 C26 C 3.89500 -0.23900 1.86900 1.000 C27 C 2.68200 -0.53000 2.45700 1.000 C28 C 5.27200 0.52900 -0.07500 1.000 C29 C 6.39300 0.28100 0.93600 1.000 C30 C 7.74200 0.60900 0.29200 1.000 C31 C 7.95300 -0.28400 -0.93200 1.000 C32 C 7.75800 2.07700 -0.13800 1.000 C33 C 6.63700 2.32400 -1.14900 1.000 C34 C 5.28800 1.99700 -0.50500 1.000 C35 C 6.84800 1.43100 -2.37400 1.000 C36 C 6.83100 -0.03700 -1.94300 1.000 C37 C 5.48300 -0.36400 -1.29900 1.000 H38 H -4.01700 2.73700 -3.44600 1.000 H39 H -4.17500 3.24600 0.05000 1.000 H40 H -5.51800 5.16800 -0.87500 1.000 H41 H -7.00000 4.25100 -0.51100 1.000 H42 H -6.36900 5.89500 1.29300 1.000 H43 H -6.45300 4.21200 1.86700 1.000 H44 H -4.87200 4.96800 1.55400 1.000 H45 H -5.99900 2.32900 1.49200 1.000 H46 H -6.88200 1.83700 0.02700 1.000 H47 H -6.15300 -0.03200 -1.29100 1.000 H48 H -4.83800 -2.11000 -1.39200 1.000 H49 H -4.25000 -3.98900 -0.67800 1.000 H50 H -3.09000 -3.20000 -1.77300 1.000 H51 H -1.25800 -4.57400 -0.82300 1.000 H52 H -2.41800 -5.36300 0.27300 1.000 H53 H -3.69000 -6.20700 -1.68100 1.000 H54 H -2.53000 -5.41900 -2.77700 1.000 H55 H -1.99000 -7.82200 -2.48900 1.000 H56 H -0.69800 -6.79300 -1.82600 1.000 H57 H -1.85800 -7.58100 -0.73100 1.000 H58 H -3.85700 1.26800 2.06000 1.000 H59 H -2.38200 -0.23900 3.12300 1.000 H60 H -2.23900 -1.92300 2.56500 1.000 H61 H -0.90100 -0.25700 0.71800 1.000 H62 H 0.64900 0.17700 -0.16700 1.000 H63 H 2.82200 0.70200 -1.19200 1.000 H64 H 4.80900 -0.35300 2.43300 1.000 H65 H 2.64500 -0.87200 3.48100 1.000 H66 H 6.24300 0.91700 1.80900 1.000 H67 H 6.38100 -0.76500 1.24300 1.000 H68 H 8.54100 0.43300 1.01300 1.000 H69 H 8.91400 -0.05100 -1.39100 1.000 H70 H 7.94100 -1.33000 -0.62500 1.000 H71 H 7.60800 2.71300 0.73400 1.000 H72 H 8.71900 2.31000 -0.59700 1.000 H73 H 6.64800 3.37000 -1.45600 1.000 H74 H 4.48900 2.17300 -1.22600 1.000 H75 H 5.13800 2.63300 0.36700 1.000 H76 H 6.04900 1.60700 -3.09400 1.000 H77 H 7.80900 1.66400 -2.83200 1.000 H78 H 6.98200 -0.67300 -2.81500 1.000 H79 H 5.47100 -1.41000 -0.99200 1.000 H80 H 4.68400 -0.18800 -2.01900 1.000