# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C1B' 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 -6.76900 -1.57400 0.37200 1.000 C1 C -6.22400 -2.66300 1.06200 1.000 C2 C -4.87700 -2.76700 1.23800 1.000 C3 C -4.02400 -1.78100 0.72700 1.000 C4 C -4.56600 -0.68300 0.03100 1.000 C5 C -5.93600 -0.58400 -0.14300 1.000 C6 C -8.23300 -1.47400 0.19000 1.000 N7 N -9.05900 -2.45300 0.69900 1.000 N8 N -8.74300 -0.46100 -0.45200 1.000 N9 N -2.68500 -1.62200 0.74000 1.000 N10 N -3.49300 0.10400 -0.34400 1.000 C11 C -2.36200 -0.51300 0.11700 1.000 C12 C -0.98500 -0.01000 -0.06400 1.000 C13 C -0.71700 1.35400 0.05500 1.000 C14 C 0.57000 1.82500 -0.11500 1.000 C15 C 0.85000 3.30000 0.01600 1.000 C16 C 0.46900 3.76300 1.39800 1.000 O17 O 0.63300 5.05000 1.74400 1.000 O18 O 0.01600 2.97700 2.19600 1.000 C19 C 0.03300 4.06900 -1.02300 1.000 C20 C 0.40400 5.52900 -0.97500 1.000 O21 O -0.19100 6.40100 -1.80500 1.000 O22 O 1.23800 5.91400 -0.19000 1.000 C23 C 1.60200 0.95300 -0.40400 1.000 C24 C 1.35300 -0.41300 -0.52600 1.000 C25 C 0.05300 -0.89900 -0.36200 1.000 O26 O -0.19800 -2.22800 -0.48000 1.000 C27 C 2.46300 -1.34600 -0.83500 1.000 C28 C 2.47200 -2.05000 -2.04300 1.000 C29 C 3.51400 -2.92000 -2.32400 1.000 C30 C 4.53900 -3.08900 -1.41300 1.000 C31 C 4.53300 -2.39400 -0.21700 1.000 C32 C 5.65600 -2.58600 0.77000 1.000 N33 N 6.71900 -1.61700 0.49300 1.000 C34 C 7.83100 -1.60200 1.25400 1.000 O35 O 7.95200 -2.39200 2.17000 1.000 N36 N 8.81000 -0.71000 1.00000 1.000 C37 C 3.49800 -1.52900 0.07900 1.000 O38 O 1.46400 -1.88200 -2.93800 1.000 H39 H -6.87600 -3.42600 1.45900 1.000 H40 H -4.46600 -3.61100 1.77200 1.000 H41 H -6.35600 0.25700 -0.67600 1.000 H42 H -8.68000 -3.20700 1.17700 1.000 H43 H -5.30900 5.70400 15.13300 1.000 H44 H -9.70300 -0.39500 -0.57200 1.000 H45 H -3.53400 0.93700 -0.84000 1.000 H46 H -1.51700 2.04300 0.28100 1.000 H47 H 1.91200 3.48400 -0.14900 1.000 H48 H -19.02000 6.32500 10.10700 1.000 H49 H 0.24300 3.67300 -2.01700 1.000 H50 H -1.03000 3.95700 -0.80500 1.000 H51 H 0.04800 7.33700 -1.77400 1.000 H52 H 2.60500 1.33000 -0.53500 1.000 H53 H -0.41300 -2.39000 -1.40800 1.000 H54 H 3.52400 -3.46500 -3.25600 1.000 H55 H 5.34900 -3.76800 -1.63600 1.000 H56 H 6.05200 -3.59700 0.67700 1.000 H57 H 5.28000 -2.43400 1.78200 1.000 H58 H 6.62300 -0.98600 -0.23700 1.000 H59 H 9.61000 -0.69900 1.54800 1.000 H60 H 8.71500 -0.08200 0.26700 1.000 H61 H 3.49600 -0.98800 1.01300 1.000 H62 H 0.78700 -2.53900 -2.72300 1.000