# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CJW' 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 -3.85400 -0.90300 0.51500 1.000 C1 C -5.22700 -1.10500 0.17600 1.000 C2 C -5.54600 -0.35700 -1.12100 1.000 C3 C -5.22300 1.12900 -0.93700 1.000 C4 C -3.75400 1.27400 -0.52900 1.000 C5 C -3.50400 0.46300 0.74500 1.000 C6 C -2.04800 0.55300 1.12000 1.000 O7 O -3.46100 2.65100 -0.28400 1.000 O8 O -5.44900 1.82300 -2.16600 1.000 O9 O -6.93300 -0.51100 -1.43300 1.000 C10 C -5.49000 -2.60000 -0.01900 1.000 O11 O -5.30400 -3.28200 1.22300 1.000 N12 N -1.03800 0.25000 0.34800 1.000 C13 C 0.11200 0.44900 1.00600 1.000 N14 N -0.16400 0.88600 2.21600 1.000 N15 N -1.56300 0.96400 2.30600 1.000 C16 C 1.47200 0.21600 0.46000 1.000 C17 C 1.62300 -0.24900 -0.85600 1.000 C18 C 2.85600 -0.47000 -1.37900 1.000 C19 C 4.00400 -0.23400 -0.59900 1.000 C20 C 3.86200 0.23600 0.73300 1.000 C21 C 2.57900 0.46300 1.25000 1.000 C22 C 5.28700 -0.45700 -1.11800 1.000 C23 C 6.39700 -0.21400 -0.32400 1.000 C24 C 6.24300 0.25100 0.99500 1.000 C25 C 5.00900 0.47300 1.51500 1.000 C26 C 7.75000 -0.44700 -0.86600 1.000 O27 O 8.83200 -0.21300 -0.09800 1.000 O28 O 7.88800 -0.85000 -2.00400 1.000 H29 H -5.85900 -0.72600 0.97900 1.000 H30 H -4.94400 -0.76300 -1.93400 1.000 H31 H -5.86100 1.54700 -0.15900 1.000 H32 H -3.11500 0.90100 -1.32900 1.000 H33 H -4.11400 0.86300 1.55600 1.000 H34 H -3.60200 3.22500 -1.04900 1.000 H35 H -5.26400 2.77100 -2.12200 1.000 H36 H -7.20600 -0.06200 -2.24400 1.000 H37 H -6.51400 -2.74600 -0.36400 1.000 H38 H -4.79700 -2.99700 -0.76000 1.000 H39 H -5.45400 -4.23600 1.17400 1.000 H40 H 0.74700 -0.43200 -1.46100 1.000 H41 H 2.95700 -0.82900 -2.39300 1.000 H42 H 2.45600 0.82500 2.26100 1.000 H43 H 5.40900 -0.81500 -2.13000 1.000 H44 H 7.11800 0.43500 1.60100 1.000 H45 H 4.90700 0.83100 2.52800 1.000 H46 H 9.69700 -0.38000 -0.49700 1.000 H47 H -2.07900 1.25600 3.07400 1.000