# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0HX' 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 0.86700 3.60600 -1.04900 1.000 C1 C 1.85800 2.81100 -1.90200 1.000 C2 C 0.02900 0.38900 0.28700 1.000 C3 C -0.95800 -0.70700 -0.13600 1.000 C4 C 1.73600 -1.27000 0.17600 1.000 C5 C 3.17200 -1.59100 0.11500 1.000 C6 C 0.88800 -2.22900 0.51600 1.000 C7 C -0.59500 -1.99400 0.61300 1.000 C8 C -3.36900 -0.81100 -0.47200 1.000 C9 C -4.77300 -0.39400 -0.11700 1.000 N10 N -2.32300 -0.30300 0.20900 1.000 C11 C 0.41200 2.75100 0.13500 1.000 C12 C -0.82400 2.77600 2.30600 1.000 C13 C -0.48400 3.58500 1.05200 1.000 O14 O -0.31900 1.62200 -0.34700 1.000 O15 O 1.34200 -0.00700 -0.11900 1.000 O16 O 4.06200 -0.63800 -0.22800 1.000 O17 O 3.55600 -2.71400 0.37400 1.000 O18 O -1.29200 -3.09700 0.03100 1.000 O19 O -3.18000 -1.60200 -1.37100 1.000 H20 H 1.35000 4.51100 -0.67900 1.000 H21 H 0.00300 3.87800 -1.65500 1.000 H22 H 2.11800 3.38900 -2.78900 1.000 H23 H 2.75900 2.61200 -1.32100 1.000 H24 H 1.40300 1.86800 -2.20300 1.000 H25 H 0.00000 0.51200 1.36900 1.000 H26 H -0.88400 -0.87400 -1.21000 1.000 H27 H 1.27500 -3.21400 0.73200 1.000 H28 H -0.88000 -1.89700 1.66100 1.000 H29 H -5.48000 -0.90500 -0.77200 1.000 H30 H -4.98000 -0.66100 0.91900 1.000 H31 H -4.87500 0.68300 -0.24300 1.000 H32 H -2.47400 0.33000 0.92900 1.000 H33 H 1.28400 2.40800 0.69200 1.000 H34 H 0.09400 2.52800 2.83800 1.000 H35 H -1.47200 3.36600 2.95400 1.000 H36 H -1.33600 1.85800 2.01800 1.000 H37 H 0.03900 4.49700 1.33900 1.000 H38 H -1.40300 3.84300 0.52600 1.000 H39 H 4.99300 -0.89600 -0.25400 1.000 H40 H -1.10900 -3.94600 0.45600 1.000