# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0LQ' 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 -0.73800 1.12700 -0.34100 1.000 N1 N -1.40800 0.00800 0.29200 1.000 C2 C -0.66200 -1.13500 0.38000 1.000 O3 O -1.10200 -2.12400 0.92900 1.000 C4 C 0.71700 -1.13800 -0.21900 1.000 O5 O 1.20100 -2.16100 -0.65800 1.000 N6 N 1.41500 0.03800 -0.25900 1.000 C7 C 2.78200 0.12500 -0.77900 1.000 C8 C 3.55900 1.14000 0.02000 1.000 C9 C 4.50000 1.93700 -0.60500 1.000 C10 C 5.21300 2.86800 0.12800 1.000 C11 C 4.98400 3.00100 1.48400 1.000 C12 C 4.04300 2.20500 2.10900 1.000 C13 C 3.32700 1.27700 1.37500 1.000 C14 C 3.44900 -1.22200 -0.66500 1.000 C15 C 3.62800 -1.80200 0.57700 1.000 C16 C 4.23500 -3.03900 0.68100 1.000 C17 C 4.66300 -3.69700 -0.45800 1.000 C18 C 4.48400 -3.11700 -1.69900 1.000 C19 C 3.87700 -1.87900 -1.80300 1.000 C20 C 0.69900 1.19300 0.25200 1.000 C21 C 1.14300 2.56900 -0.24800 1.000 N22 N -0.06900 3.41600 -0.05600 1.000 C23 C -1.26300 2.52900 -0.06000 1.000 C24 C -2.78000 0.09400 0.79900 1.000 C25 C -3.54400 1.12400 0.00700 1.000 C26 C -4.31600 2.06600 0.66200 1.000 C27 C -5.01700 3.01000 -0.06500 1.000 C28 C -4.94600 3.01300 -1.44500 1.000 C29 C -4.17400 2.07200 -2.09900 1.000 C30 C -3.46900 1.13000 -1.37300 1.000 C31 C -3.45300 -1.24700 0.66000 1.000 C32 C -4.18900 -1.76300 1.71000 1.000 C33 C -4.80600 -2.99400 1.58200 1.000 C34 C -4.68600 -3.70800 0.40500 1.000 C35 C -3.94900 -3.19200 -0.64500 1.000 C36 C -3.33800 -1.95900 -0.51900 1.000 H37 H -0.68500 0.96400 -1.41700 1.000 H38 H 2.75400 0.43000 -1.82500 1.000 H39 H 4.67800 1.83200 -1.66500 1.000 H40 H 5.94900 3.49000 -0.36000 1.000 H41 H 5.54200 3.72800 2.05700 1.000 H42 H 3.86500 2.30900 3.16900 1.000 H43 H 2.58900 0.65700 1.86200 1.000 H44 H 3.29300 -1.28800 1.46600 1.000 H45 H 4.37600 -3.49200 1.65100 1.000 H46 H 5.13900 -4.66300 -0.37600 1.000 H47 H 4.81800 -3.63000 -2.58900 1.000 H48 H 3.73400 -1.42800 -2.77400 1.000 H49 H 0.66400 1.16600 1.34100 1.000 H50 H 1.97200 2.94600 0.35100 1.000 H51 H 1.42000 2.52500 -1.30100 1.000 H52 H -0.13800 4.11800 -0.77700 1.000 H53 H -1.95600 2.83500 -0.84400 1.000 H54 H -1.75600 2.55800 0.91100 1.000 H55 H -2.76100 0.38400 1.85000 1.000 H56 H -4.37200 2.06300 1.74000 1.000 H57 H -5.62100 3.74600 0.44600 1.000 H58 H -5.49400 3.75100 -2.01300 1.000 H59 H -4.11800 2.07400 -3.17800 1.000 H60 H -2.86200 0.39700 -1.88400 1.000 H61 H -4.28300 -1.20500 2.63000 1.000 H62 H -5.38100 -3.39700 2.40300 1.000 H63 H -5.16700 -4.67000 0.30600 1.000 H64 H -3.85500 -3.75100 -1.56400 1.000 H65 H -2.76300 -1.55600 -1.34000 1.000