# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JBS' 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 -1.41400 4.35800 2.21100 1.000 C1 C -1.13200 -0.57200 0.47800 1.000 C2 C 7.30400 -1.15600 -0.51300 1.000 C3 C 3.82700 0.59600 1.09400 1.000 O4 O 7.73000 0.06900 0.08800 1.000 C5 C 6.57000 -0.85300 -1.82100 1.000 C6 C 8.52300 -2.03300 -0.80300 1.000 C7 C 6.36100 -1.89100 0.44200 1.000 N8 N 5.14000 -1.10300 0.62500 1.000 N9 N 5.08000 0.23000 1.04700 1.000 C10 C 3.03600 -0.50400 0.70600 1.000 C11 C 3.88200 -1.53800 0.42100 1.000 C12 C 1.55700 -0.53500 0.62300 1.000 N13 N 0.96700 -1.65200 0.24000 1.000 C14 C -0.36800 -1.72000 0.15200 1.000 C15 C -1.02100 -2.89400 -0.25300 1.000 C16 C -2.37900 -2.92300 -0.33000 1.000 C17 C -3.14300 -1.79200 -0.00900 1.000 C18 C -4.62300 -1.85100 -0.10100 1.000 C19 C -5.48500 -2.61200 0.63800 1.000 C20 C -5.12400 -3.58100 1.73400 1.000 O21 O -6.71500 -2.32300 0.19300 1.000 N22 N -6.69200 -1.50500 -0.69700 1.000 C23 C -5.48000 -1.12500 -0.97600 1.000 C24 C -5.06400 -0.12300 -2.02200 1.000 C25 C -2.52600 -0.61900 0.39500 1.000 C26 C -0.44500 0.59900 0.88900 1.000 N27 N 0.87700 0.56600 0.94300 1.000 N28 N -1.13800 1.74400 1.22200 1.000 C29 C -1.04500 2.01500 2.66400 1.000 C30 C -1.87400 3.25700 2.99900 1.000 C31 C -1.49100 4.12900 0.80200 1.000 C32 C -0.65800 2.89500 0.44400 1.000 C33 C -0.79800 2.60200 -1.02700 1.000 C34 C -1.91900 1.94400 -1.49700 1.000 C35 C -2.04800 1.67500 -2.84700 1.000 C36 C -1.05600 2.06400 -3.72700 1.000 C37 C 0.06500 2.72300 -3.25700 1.000 C38 C 0.19100 2.99600 -1.90800 1.000 H39 H 3.46100 1.57000 1.38500 1.000 H40 H 8.33200 0.58800 -0.46300 1.000 H41 H 5.70200 -0.22800 -1.61500 1.000 H42 H 7.24200 -0.32900 -2.50200 1.000 H43 H 6.24500 -1.78700 -2.28000 1.000 H44 H 8.19700 -2.96700 -1.26100 1.000 H45 H 9.19400 -1.51000 -1.48300 1.000 H46 H 9.04500 -2.24900 0.12900 1.000 H47 H 6.10600 -2.86400 0.02300 1.000 H48 H 6.85300 -2.02800 1.40500 1.000 H49 H 3.59500 -2.52600 0.09000 1.000 H50 H -0.44700 -3.77400 -0.50400 1.000 H51 H -2.87600 -3.82900 -0.64300 1.000 H52 H -5.11000 -3.05900 2.69000 1.000 H53 H -5.86200 -4.38200 1.76800 1.000 H54 H -4.13900 -4.00300 1.53600 1.000 H55 H -5.04200 0.87300 -1.58200 1.000 H56 H -4.07200 -0.37800 -2.39500 1.000 H57 H -5.77800 -0.14100 -2.84600 1.000 H58 H -3.11600 0.25100 0.64200 1.000 H59 H -1.42900 1.16000 3.22000 1.000 H60 H -0.00300 2.18700 2.93600 1.000 H61 H -1.76300 3.49500 4.05700 1.000 H62 H -2.92400 3.06500 2.77800 1.000 H63 H -2.53000 3.96200 0.51600 1.000 H64 H -1.10200 4.99700 0.27000 1.000 H65 H 0.39000 3.08300 0.68000 1.000 H66 H -2.69500 1.64000 -0.80900 1.000 H67 H -2.92400 1.16000 -3.21400 1.000 H68 H -1.15600 1.85300 -4.78100 1.000 H69 H 0.84000 3.02600 -3.94500 1.000 H70 H 1.06600 3.51400 -1.54200 1.000