# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0DB' 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 2.05100 -1.23500 -1.38900 1.000 C1 C 2.92600 -0.79400 -0.21300 1.000 C2 C 4.04900 0.11000 -0.72500 1.000 C3 C 4.91100 0.54500 0.43200 1.000 C4 C 6.00500 -0.21400 0.80300 1.000 C5 C 4.61000 1.70600 1.12000 1.000 C6 C 6.79500 0.18400 1.86500 1.000 C7 C 5.40100 2.10500 2.18200 1.000 C8 C 6.49200 1.34200 2.55600 1.000 C9 C 2.89900 -1.96000 -2.40200 1.000 O10 O 3.84200 -2.62200 -2.03800 1.000 O11 O 2.60800 -1.86900 -3.70900 1.000 C12 C 0.95100 -2.17100 -0.88200 1.000 C13 C -0.02600 -1.38200 -0.00800 1.000 C14 C -1.20500 -2.28000 0.40700 1.000 C15 C 0.67000 -0.93900 1.29500 1.000 C16 C -1.18400 -2.35100 1.94700 1.000 C17 C -0.43100 -1.06700 2.37700 1.000 C18 C -0.53400 -0.17800 -0.75900 1.000 O19 O -0.26300 -0.03600 -1.93300 1.000 N20 N -1.28900 0.74200 -0.12600 1.000 C21 C -1.78200 1.91200 -0.85600 1.000 C22 C -0.72700 2.98800 -0.85300 1.000 O23 O 0.32900 2.79600 -0.29800 1.000 C24 C -3.04900 2.43900 -0.17800 1.000 C25 C -4.14400 1.40900 -0.29000 1.000 C26 C -5.09800 1.35600 -1.23300 1.000 C27 C -4.36400 0.27100 0.60600 1.000 N28 N -5.91500 0.28100 -1.01000 1.000 C29 C -5.49400 -0.40300 0.10800 1.000 C30 C -3.71600 -0.20500 1.74700 1.000 C31 C -5.95100 -1.54300 0.76200 1.000 C32 C -4.18300 -1.32600 2.37500 1.000 C33 C -5.29600 -1.99600 1.88500 1.000 O34 O -0.96000 4.15900 -1.46600 1.000 H35 H 1.59900 -0.36000 -1.85300 1.000 H36 H 2.31800 -0.24700 0.50700 1.000 H37 H 3.35800 -1.67200 0.26800 1.000 H38 H 4.65700 -0.43700 -1.44500 1.000 H39 H 3.61800 0.98800 -1.20700 1.000 H40 H 6.24200 -1.11900 0.26300 1.000 H41 H 3.75800 2.30200 0.82800 1.000 H42 H 7.65000 -0.40900 2.15400 1.000 H43 H 5.16600 3.01200 2.71900 1.000 H44 H 7.10900 1.65400 3.38500 1.000 H45 H 3.22300 -2.28800 -4.32600 1.000 H46 H 0.41700 -2.59600 -1.73200 1.000 H47 H 1.39800 -2.97300 -0.29500 1.000 H48 H -2.14400 -1.84400 0.06600 1.000 H49 H -1.08000 -3.27800 -0.01500 1.000 H50 H 1.50800 -1.59800 1.52300 1.000 H51 H 1.00800 0.09500 1.21500 1.000 H52 H -2.19900 -2.34800 2.34300 1.000 H53 H -0.64500 -3.23800 2.28100 1.000 H54 H 0.01100 -1.19100 3.36500 1.000 H55 H -1.09600 -0.20400 2.35500 1.000 H56 H -1.50600 0.62800 0.81300 1.000 H57 H -2.01000 1.63000 -1.88400 1.000 H58 H -2.84300 2.63700 0.87300 1.000 H59 H -3.36600 3.36000 -0.66700 1.000 H60 H -5.20500 2.05900 -2.04600 1.000 H61 H -6.67600 0.03700 -1.56000 1.000 H62 H -2.84900 0.31000 2.13300 1.000 H63 H -6.81700 -2.07000 0.39000 1.000 H64 H -3.68100 -1.69400 3.25700 1.000 H65 H -5.65300 -2.88100 2.39200 1.000 H66 H -0.25300 4.81800 -1.43800 1.000