# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '94L' 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 1.94100 0.33000 0.00500 1.000 C1 C 0.95800 -1.78400 -0.58000 1.000 C2 C -0.45000 0.10100 -0.01000 1.000 C3 C -1.81200 0.63800 0.16400 1.000 C4 C -4.16300 0.30100 0.09400 1.000 C5 C -2.67100 -1.46000 -0.44100 1.000 C6 C -4.79400 0.20900 1.32700 1.000 C7 C -6.74000 1.25900 0.40700 1.000 C8 C -4.82500 0.88000 -0.98000 1.000 C9 C 6.71700 0.27500 -0.98500 1.000 C10 C 7.19600 -0.29500 0.34900 1.000 C11 C 6.13700 -1.26000 0.89700 1.000 C12 C 4.88000 -0.45700 1.16000 1.000 C13 C 4.48100 0.53200 0.15200 1.000 C14 C 5.35000 0.88000 -0.85300 1.000 O15 O 4.96200 1.79500 -1.75300 1.000 O16 O 4.22700 -0.62500 2.16800 1.000 C17 C 3.14800 1.15200 0.21900 1.000 O18 O 3.04200 2.34100 0.45100 1.000 C19 C 2.06600 -1.01100 -0.37900 1.000 C20 C -0.31000 -1.24300 -0.40600 1.000 C21 C 0.67600 0.88900 0.19000 1.000 N22 N -2.85800 -0.18500 -0.06400 1.000 O23 O -1.98800 1.79200 0.50500 1.000 O24 O -3.64700 -2.15800 -0.63400 1.000 N25 N -1.45200 -1.99800 -0.61300 1.000 C26 C -6.08100 0.68900 1.48000 1.000 C27 C -6.11100 1.35700 -0.82100 1.000 C28 C -4.07700 -0.41400 2.49700 1.000 C29 C -4.14100 0.98700 -2.31900 1.000 C30 C -1.33000 -3.39800 -1.02500 1.000 H31 H 1.06700 -2.81700 -0.87600 1.000 H32 H -7.74500 1.63300 0.52900 1.000 H33 H 7.41700 1.04100 -1.31900 1.000 H34 H 6.68400 -0.52600 -1.72400 1.000 H35 H 8.13500 -0.82900 0.20100 1.000 H36 H 7.34900 0.51900 1.05800 1.000 H37 H 5.93100 -2.03900 0.16200 1.000 H38 H 6.49100 -1.71100 1.82400 1.000 H39 H 4.09400 2.19900 -1.62200 1.000 H40 H 3.04800 -1.43900 -0.51700 1.000 H41 H 0.57400 1.92200 0.48600 1.000 H42 H -6.57200 0.61800 2.43900 1.000 H43 H -6.62800 1.80300 -1.65800 1.000 H44 H -3.53000 0.35700 3.04000 1.000 H45 H -4.80400 -0.87900 3.16300 1.000 H46 H -3.37900 -1.16900 2.13600 1.000 H47 H -4.35000 0.09400 -2.90700 1.000 H48 H -4.51200 1.86500 -2.84700 1.000 H49 H -3.06500 1.08100 -2.17000 1.000 H50 H -2.32300 -3.83100 -1.14000 1.000 H51 H -0.79800 -3.45300 -1.97500 1.000 H52 H -0.77700 -3.95300 -0.26700 1.000