# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '022' 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 -5.70400 0.93200 -0.41600 1.000 N1 N -5.28300 -0.34200 -0.20500 1.000 C2 C -6.40200 -1.13400 -0.17000 1.000 C3 C -7.46000 -0.32300 -0.36000 1.000 N4 N -7.00600 0.93000 -0.50700 1.000 C5 C -3.95600 -0.76700 -0.05200 1.000 C6 C -3.67900 -2.11300 0.15400 1.000 C7 C -2.37500 -2.53500 0.30400 1.000 C8 C -1.33300 -1.60800 0.25000 1.000 C9 C -1.61500 -0.25600 0.04300 1.000 C10 C -2.92100 0.15800 -0.11200 1.000 C11 C 0.06600 -2.05600 0.41200 1.000 C12 C 0.48800 -3.34700 0.51700 1.000 C13 C 1.88600 -3.32200 0.65500 1.000 C14 C 2.28000 -2.03100 0.63000 1.000 N15 N 1.17300 -1.24400 0.47600 1.000 C16 C 3.70000 -1.54100 0.74700 1.000 C17 C 4.36300 -1.56400 -0.63200 1.000 C18 C 5.78300 -1.07400 -0.51500 1.000 O19 O 6.22000 -0.74000 0.56100 1.000 O20 O 6.56200 -1.00700 -1.60600 1.000 C21 C 1.16800 0.15100 0.40000 1.000 C22 C 1.27700 0.77900 -0.83600 1.000 C23 C 1.27100 2.15300 -0.91500 1.000 C24 C 1.15700 2.91800 0.24900 1.000 C25 C 1.04900 2.28400 1.48900 1.000 C26 C 1.04900 0.90800 1.56000 1.000 C27 C 1.15200 4.39200 0.16900 1.000 O28 O 1.24700 4.94200 -0.91100 1.000 N29 N 1.04200 5.12800 1.29300 1.000 C30 C 1.40000 -0.04600 -2.09100 1.000 H31 H -5.06800 1.80100 -0.49200 1.000 H32 H -6.42900 -2.20300 -0.02000 1.000 H33 H -8.49500 -0.62900 -0.39000 1.000 H34 H -4.48600 -2.83000 0.19600 1.000 H35 H -2.16100 -3.58100 0.46400 1.000 H36 H -0.81200 0.46400 0.00100 1.000 H37 H -3.14000 1.20200 -0.27600 1.000 H38 H -0.13800 -4.22700 0.49900 1.000 H39 H 2.53100 -4.18300 0.76100 1.000 H40 H 3.70200 -0.52200 1.13400 1.000 H41 H 4.25300 -2.18900 1.42600 1.000 H42 H 4.36000 -2.58300 -1.01900 1.000 H43 H 3.80900 -0.91600 -1.31200 1.000 H44 H 7.46500 -0.68600 -1.48200 1.000 H45 H 1.35600 2.64000 -1.87500 1.000 H46 H 0.96100 2.87100 2.39100 1.000 H47 H 0.96100 0.41700 2.51800 1.000 H48 H 0.96600 4.68800 2.15500 1.000 H49 H 1.03800 6.09600 1.24000 1.000 H50 H 0.40700 -0.25500 -2.48800 1.000 H51 H 1.98000 0.50400 -2.83300 1.000 H52 H 1.90400 -0.98500 -1.86100 1.000