# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '98G' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -0.86500 -0.69000 -0.30600 1.000 C1 C -0.05700 -1.72400 -0.47300 1.000 C2 C 1.79700 -0.20100 -0.20800 1.000 C3 C 4.02300 0.82500 -0.02400 1.000 C4 C 7.65900 1.38300 0.09100 1.000 C5 C 8.01000 0.29800 1.11200 1.000 C6 C 4.34600 3.16200 0.36600 1.000 C7 C 5.40600 -2.53500 0.86000 1.000 C8 C -10.57400 -1.13200 -0.13900 1.000 N9 N -9.13000 -0.86800 -0.21000 1.000 C10 C -8.52200 -0.90400 1.12700 1.000 C11 C -7.01000 -0.70500 1.00200 1.000 N12 N -6.74000 0.57800 0.33900 1.000 C13 C -5.36500 0.82900 0.27100 1.000 C14 C -4.46500 -0.09100 0.79200 1.000 C15 C -3.10800 0.15600 0.72400 1.000 C16 C -2.64400 1.32500 0.13600 1.000 N17 N -1.26800 1.57600 0.06800 1.000 C18 C -0.38300 0.53000 -0.10100 1.000 C19 C 1.31800 -1.51100 -0.42900 1.000 N20 N 3.17200 -0.26100 -0.21000 1.000 N21 N 5.33400 0.64200 -0.04600 1.000 C22 C 6.17500 1.64400 0.12500 1.000 O23 O 8.03700 0.94800 -1.21600 1.000 C24 C 5.71400 2.92800 0.33600 1.000 C25 C 3.48900 2.09300 0.17700 1.000 N26 N 3.58400 -1.58000 -0.42700 1.000 C27 C 4.97600 -2.03200 -0.49400 1.000 C28 C 5.89500 -3.74400 0.98500 1.000 C29 C 2.50000 -2.37200 -0.56500 1.000 O30 O 2.50100 -3.57200 -0.76400 1.000 N31 N 0.91900 0.77900 -0.05100 1.000 C32 C -3.54400 2.24500 -0.38500 1.000 C33 C -4.90100 1.99600 -0.32200 1.000 C34 C -7.34900 0.61400 -0.99900 1.000 C35 C -8.86100 0.41500 -0.87400 1.000 H36 H -0.45600 -2.71400 -0.64000 1.000 H37 H 8.19500 2.30000 0.33800 1.000 H38 H 7.47400 -0.61800 0.86500 1.000 H39 H 9.08300 0.11000 1.08700 1.000 H40 H 7.72200 0.63100 2.10900 1.000 H41 H 3.95900 4.15800 0.52500 1.000 H42 H 5.31100 -1.89900 1.72800 1.000 H43 H -10.98700 -1.16600 -1.14700 1.000 H44 H -10.74500 -2.08700 0.35700 1.000 H45 H -11.06100 -0.33700 0.42600 1.000 H46 H -8.94400 -0.10800 1.74000 1.000 H47 H -8.72400 -1.86900 1.59300 1.000 H48 H -6.56000 -0.70200 1.99500 1.000 H49 H -6.58300 -1.51600 0.41200 1.000 H50 H -4.82600 -1.00000 1.25000 1.000 H51 H -2.40800 -0.56000 1.12900 1.000 H52 H -0.93600 2.48500 0.13900 1.000 H53 H 7.59800 0.13500 -1.50200 1.000 H54 H 6.41000 3.74200 0.47900 1.000 H55 H 2.41900 2.23900 0.19400 1.000 H56 H 5.61400 -1.20100 -0.79200 1.000 H57 H 5.06200 -2.83600 -1.22400 1.000 H58 H 5.99000 -4.38000 0.11700 1.000 H59 H 6.20300 -4.10500 1.95500 1.000 H60 H -3.18300 3.15500 -0.84200 1.000 H61 H -5.60100 2.71000 -0.73100 1.000 H62 H -7.14600 1.57900 -1.46400 1.000 H63 H -6.92600 -0.18200 -1.61200 1.000 H64 H -9.31100 0.41200 -1.86700 1.000 H65 H -9.28700 1.22600 -0.28300 1.000