# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '20A' 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 0.92800 -1.41600 -1.25700 1.000 C1 C 1.08900 -0.35500 -0.68600 1.000 N2 N 2.32900 0.03700 -0.32900 1.000 C3 C 3.48100 -0.81500 -0.63000 1.000 C4 C 4.74000 -0.15300 -0.13100 1.000 C5 C 5.44400 0.70400 -0.95600 1.000 C6 C 6.59800 1.31100 -0.49800 1.000 C7 C 7.04800 1.06200 0.78500 1.000 C8 C 6.34400 0.20600 1.61000 1.000 C9 C 5.18700 -0.39800 1.15400 1.000 C10 C -0.06800 0.50500 -0.38900 1.000 C11 C 0.11600 1.77900 0.16200 1.000 N12 N -0.90300 2.56000 0.43400 1.000 C13 C -2.16100 2.18900 0.20200 1.000 N14 N -3.36600 2.80300 0.39300 1.000 C15 C -3.56700 4.14400 0.94900 1.000 C16 C -3.56000 5.17200 -0.18400 1.000 N17 N -4.37600 1.93400 -0.03500 1.000 C18 C -2.44100 0.92600 -0.35000 1.000 C19 C -3.84600 0.82800 -0.47300 1.000 C20 C -1.37400 0.06000 -0.66000 1.000 N21 N -1.60400 -1.18700 -1.20300 1.000 C22 C -1.71200 -2.20700 -0.15200 1.000 C23 C -1.32900 -3.57600 -0.72400 1.000 C24 C -1.52100 -4.64300 0.35700 1.000 O25 O -2.87600 -4.62300 0.81000 1.000 C26 C -3.27600 -3.38400 1.39800 1.000 C27 C -3.15500 -2.26500 0.36000 1.000 H28 H 2.45700 0.88400 0.12600 1.000 H29 H 3.35800 -1.78000 -0.13700 1.000 H30 H 3.55200 -0.96400 -1.70700 1.000 H31 H 5.09200 0.89900 -1.95800 1.000 H32 H 7.14900 1.98000 -1.14300 1.000 H33 H 7.95100 1.53600 1.14200 1.000 H34 H 6.69500 0.01100 2.61300 1.000 H35 H 4.63400 -1.06400 1.80100 1.000 H36 H 1.11800 2.12600 0.36800 1.000 H37 H -4.52500 4.18200 1.46800 1.000 H38 H -2.76400 4.37000 1.65000 1.000 H39 H -3.71000 6.16900 0.23000 1.000 H40 H -2.60300 5.13400 -0.70300 1.000 H41 H -4.36300 4.94600 -0.88500 1.000 H42 H -4.38800 -0.02000 -0.86500 1.000 H43 H -2.42700 -1.18100 -1.78700 1.000 H44 H -1.04300 -1.95600 0.67100 1.000 H45 H -1.96600 -3.80400 -1.57800 1.000 H46 H -0.28700 -3.55900 -1.04000 1.000 H47 H -1.29100 -5.62500 -0.05800 1.000 H48 H -0.85400 -4.43700 1.19400 1.000 H49 H -4.31000 -3.45800 1.73400 1.000 H50 H -2.63200 -3.16100 2.24900 1.000 H51 H -3.41800 -1.31200 0.81900 1.000 H52 H -3.82900 -2.46700 -0.47300 1.000