# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '00J' 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 -8.44200 -0.20200 1.37100 1.000 C1 C -7.86200 -0.26500 0.30300 1.000 N2 N -8.28500 -1.12700 -0.64300 1.000 C3 C -9.44200 -1.98700 -0.38700 1.000 C4 C -6.70300 0.60300 0.04300 1.000 C5 C -5.28400 0.30400 0.32300 1.000 C6 C -4.61300 -0.78400 0.87300 1.000 C7 C -4.57400 1.43600 -0.10100 1.000 O8 O -5.46800 2.32200 -0.58500 1.000 C9 C -6.71600 1.84500 -0.51100 1.000 C10 C -7.95100 2.57600 -0.97100 1.000 C11 C -3.19100 1.46100 0.03300 1.000 C12 C -2.53100 0.37500 0.58100 1.000 C13 C -3.24200 -0.74600 1.00000 1.000 O14 O -1.17900 0.40400 0.71100 1.000 C15 C -0.44800 -0.44200 -0.05700 1.000 C16 C -1.04800 -1.21700 -1.03400 1.000 C17 C 0.95100 -0.55500 0.11300 1.000 C18 C 1.62900 0.20200 1.08000 1.000 C19 C 1.67000 -1.45200 -0.71300 1.000 N20 N 1.02400 -2.17500 -1.63600 1.000 C21 C -0.27300 -2.07400 -1.80500 1.000 C22 C 3.06000 -1.56800 -0.54900 1.000 C23 C 3.69700 -0.81200 0.40800 1.000 C24 C 2.97600 0.07000 1.22000 1.000 O25 O 5.04100 -0.92400 0.56800 1.000 C26 C 5.64500 -0.11300 1.57700 1.000 C27 C 7.15200 -0.37500 1.60800 1.000 N28 N 7.75200 0.06900 0.34300 1.000 C29 C 9.14900 -0.37800 0.23600 1.000 C30 C 7.66000 1.52900 0.20000 1.000 C31 C 8.24200 1.94100 -1.15500 1.000 O32 O 9.58900 1.47200 -1.25300 1.000 C33 C 9.71500 0.05300 -1.11900 1.000 H34 H -7.82200 -1.17700 -1.49500 1.000 H35 H -10.31700 -1.36900 -0.18400 1.000 H36 H -9.63200 -2.61100 -1.26000 1.000 H37 H -9.23900 -2.62200 0.47600 1.000 H38 H -5.16400 -1.65300 1.19900 1.000 H39 H -2.71700 -1.58800 1.42700 1.000 H40 H -2.63200 2.32600 -0.29000 1.000 H41 H -8.35100 3.16700 -0.14700 1.000 H42 H -7.69600 3.23400 -1.80100 1.000 H43 H -8.70100 1.85400 -1.29600 1.000 H44 H -2.11400 -1.15500 -1.19600 1.000 H45 H -0.75200 -2.67400 -2.56500 1.000 H46 H 1.08400 0.88700 1.71200 1.000 H47 H 3.49500 0.65400 1.96500 1.000 H48 H 3.62500 -2.24700 -1.16900 1.000 H49 H 5.46300 0.93800 1.35600 1.000 H50 H 5.21400 -0.36000 2.54800 1.000 H51 H 7.60000 0.17500 2.43500 1.000 H52 H 7.33300 -1.44200 1.74100 1.000 H53 H 9.73700 0.07100 1.03700 1.000 H54 H 9.19100 -1.46400 0.31900 1.000 H55 H 6.61600 1.83500 0.25600 1.000 H56 H 8.22400 2.00900 1.00000 1.000 H57 H 10.76700 -0.22600 -1.17900 1.000 H58 H 9.16100 -0.43900 -1.91800 1.000 H59 H 7.64500 1.50500 -1.95500 1.000 H60 H 8.22800 3.02800 -1.24100 1.000