# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '94U' 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 2.47600 -0.10800 -0.16400 1.000 C1 C 4.68200 -0.46800 -0.30700 1.000 C2 C -6.13100 -1.87100 1.48900 1.000 C3 C -6.20700 1.06900 -0.05100 1.000 C4 C -6.45200 1.42800 -1.51800 1.000 C5 C -3.92900 0.09700 0.08400 1.000 C6 C -3.40000 1.38200 0.06800 1.000 C7 C -2.03300 1.56600 0.12400 1.000 C8 C -1.18600 0.46800 0.19700 1.000 C9 C -1.71500 -0.81600 0.21300 1.000 C10 C -3.08200 -1.00100 0.16200 1.000 N11 N 0.20000 0.65500 0.25500 1.000 C12 C 1.02600 -0.24100 -0.32200 1.000 O13 O 0.56600 -1.16000 -0.97500 1.000 N14 N 3.12400 0.88200 0.54600 1.000 C15 C 4.49000 0.66700 0.46300 1.000 C16 C 3.42400 -0.95300 -0.69300 1.000 S17 S 6.41400 -0.76100 -0.42700 1.000 C18 C 6.73000 0.62200 0.52400 1.000 N19 N 5.63800 1.20100 0.87600 1.000 N20 N -5.31400 -0.09000 0.02600 1.000 C21 C -5.87200 -1.44400 0.04300 1.000 H22 H -6.54600 -2.87900 1.50200 1.000 H23 H -5.19400 -1.85700 2.04600 1.000 H24 H -6.83800 -1.18100 1.95000 1.000 H25 H -5.74800 1.91600 0.45900 1.000 H26 H -7.15600 0.82900 0.42800 1.000 H27 H -5.50300 1.66800 -1.99600 1.000 H28 H -6.91200 0.58000 -2.02700 1.000 H29 H -7.11700 2.29000 -1.57500 1.000 H30 H -4.05800 2.23600 0.01100 1.000 H31 H -1.62200 2.56500 0.11200 1.000 H32 H -1.05600 -1.67100 0.26900 1.000 H33 H -3.49300 -2.00000 0.17500 1.000 H34 H 0.56700 1.42900 0.71000 1.000 H35 H 2.69400 1.60800 1.02300 1.000 H36 H 3.23400 -1.82700 -1.30000 1.000 H37 H 7.71800 0.96100 0.80000 1.000 H38 H -5.16400 -2.13400 -0.41800 1.000 H39 H -6.80800 -1.45900 -0.51400 1.000