# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '906' 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 12.26400 0.76600 2.03300 1.000 C1 C -0.12300 0.80500 1.11200 1.000 N2 N -8.31200 3.36000 -0.15100 1.000 O3 O -4.62700 0.84900 0.76700 1.000 C4 C 8.48700 0.22300 -0.82000 1.000 C5 C -9.48100 0.00800 -0.55700 1.000 C6 C -8.36800 -0.75500 -0.28000 1.000 C7 C 6.51700 -0.06000 -2.31500 1.000 C8 C 6.17200 0.04800 0.07500 1.000 C9 C 5.16000 -0.20600 -2.50000 1.000 C10 C 4.81500 -0.09700 -0.11900 1.000 C11 C -7.15300 1.27100 0.10200 1.000 C12 C 10.74400 0.61100 1.94200 1.000 C13 C 2.14700 -0.37900 -0.42200 1.000 C14 C 0.68200 -0.54800 -0.82900 1.000 C15 C -1.64600 -0.85200 0.02700 1.000 C16 C -2.50200 -0.98800 1.28700 1.000 C17 C -4.46600 -2.60700 0.71700 1.000 C18 C -5.93100 -2.32700 0.33100 1.000 N19 N 8.96400 0.34200 0.37700 1.000 N20 N -9.43000 1.32600 -0.50700 1.000 O21 O 10.35900 0.49100 0.57200 1.000 O22 O 2.96800 -0.36800 -1.59200 1.000 C23 C -4.83300 -0.34600 0.68000 1.000 C24 C -8.31600 1.97000 -0.19100 1.000 C25 C 7.03400 0.06800 -1.02300 1.000 C26 C 4.30500 -0.22500 -1.40500 1.000 C27 C -7.17200 -0.11900 0.05800 1.000 C28 C -0.19700 -0.55900 0.42300 1.000 N29 N -3.88900 -1.26800 0.90800 1.000 N30 N -6.02500 -0.85900 0.34600 1.000 H31 H 12.57100 1.66000 1.48900 1.000 H32 H 12.55800 0.85800 3.07800 1.000 H33 H 12.74500 -0.10800 1.59500 1.000 H34 H -0.47600 1.57700 0.42700 1.000 H35 H -0.74900 0.79600 2.00400 1.000 H36 H 0.90900 1.01400 1.39400 1.000 H37 H -7.50000 3.83600 0.08000 1.000 H38 H -9.12200 3.85300 -0.35500 1.000 H39 H 9.15300 0.23800 -1.67100 1.000 H40 H -10.40800 -0.47900 -0.82300 1.000 H41 H -8.42000 -1.83300 -0.32300 1.000 H42 H 7.18100 -0.05000 -3.16700 1.000 H43 H 6.56700 0.14700 1.07500 1.000 H44 H 4.75900 -0.30500 -3.49800 1.000 H45 H 4.14800 -0.11300 0.73000 1.000 H46 H -6.24600 1.79900 0.35900 1.000 H47 H 10.43700 -0.28200 2.48600 1.000 H48 H 10.26300 1.48600 2.38000 1.000 H49 H 2.26800 0.56100 0.11600 1.000 H50 H 2.44300 -1.20700 0.22200 1.000 H51 H 0.38600 0.28100 -1.47300 1.000 H52 H 0.56000 -1.48700 -1.36700 1.000 H53 H -1.68600 -1.78200 -0.54200 1.000 H54 H -2.02700 -0.03500 -0.58600 1.000 H55 H -2.12100 -1.80500 1.90000 1.000 H56 H -2.46200 -0.05900 1.85500 1.000 H57 H -4.41700 -3.18100 1.64200 1.000 H58 H -3.95300 -3.13400 -0.08800 1.000 H59 H -6.14600 -2.71300 -0.66500 1.000 H60 H -6.61000 -2.76000 1.06600 1.000 H61 H 0.15500 -1.33100 1.10700 1.000