# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '998' 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 -4.22000 0.95100 0.03500 1.000 C1 C -4.16900 -0.53200 0.29500 1.000 C2 C -5.40000 1.65700 -0.00200 1.000 C3 C -3.01500 1.61300 -0.16800 1.000 N4 N -3.19700 -1.14900 -0.61200 1.000 C5 C -5.54100 -1.16400 0.06900 1.000 C6 C -6.74200 1.00400 0.20300 1.000 C7 C -5.37600 3.02600 -0.23800 1.000 C8 C -2.99300 2.97100 -0.40500 1.000 C9 C -1.88900 -1.16500 -0.28800 1.000 C10 C -6.57900 -0.36300 0.86400 1.000 C11 C -4.17900 3.68100 -0.43900 1.000 C12 C -0.89000 -1.80000 -1.22100 1.000 O13 O -1.51600 -0.66900 0.75400 1.000 N14 N 0.46400 -1.70900 -0.65600 1.000 C15 C -1.21400 -3.29800 -1.39600 1.000 C16 C 1.12300 -0.56700 -0.37500 1.000 C17 C 0.98000 -3.07300 -0.44200 1.000 C18 C 0.19100 -3.95600 -1.44000 1.000 C19 C 2.46000 -0.62000 0.31800 1.000 O20 O 0.64000 0.50300 -0.68100 1.000 N21 N 3.29700 0.48800 -0.14900 1.000 C22 C 2.25500 -0.50100 1.83000 1.000 C23 C 4.64000 0.39000 -0.09000 1.000 C24 C 1.57000 0.82900 2.14900 1.000 C25 C 1.37800 -1.65600 2.31800 1.000 C26 C 3.61200 -0.55900 2.53400 1.000 C27 C 5.50000 1.53000 -0.57100 1.000 O28 O 5.15500 -0.61500 0.35000 1.000 N29 N 6.91700 1.17900 -0.40200 1.000 C30 C 5.21400 1.79600 -2.05000 1.000 C31 C 7.65500 2.44500 -0.29100 1.000 H32 H -3.85900 -0.70600 1.32600 1.000 H33 H -2.08800 1.05900 -0.14100 1.000 H34 H -3.49600 -1.54600 -1.44500 1.000 H35 H -5.78800 -1.13400 -0.99200 1.000 H36 H -5.53100 -2.19700 0.41500 1.000 H37 H -7.23300 0.88000 -0.76200 1.000 H38 H -7.35700 1.64000 0.84000 1.000 H39 H -6.30200 3.58100 -0.26400 1.000 H40 H -2.05300 3.47900 -0.56400 1.000 H41 H -7.53300 -0.89000 0.85800 1.000 H42 H -6.23600 -0.23600 1.89100 1.000 H43 H -4.16900 4.74600 -0.62300 1.000 H44 H -0.91700 -1.29900 -2.18900 1.000 H45 H -1.75100 -3.47300 -2.32800 1.000 H46 H -1.78600 -3.66800 -0.54500 1.000 H47 H 2.04700 -3.11400 -0.66000 1.000 H48 H 0.78800 -3.39400 0.58200 1.000 H49 H 0.62000 -3.89400 -2.44000 1.000 H50 H 0.14900 -4.99100 -1.09800 1.000 H51 H 2.95000 -1.56600 0.09100 1.000 H52 H 2.88400 1.29300 -0.50200 1.000 H53 H 0.60400 0.87000 1.64700 1.000 H54 H 1.42400 0.91300 3.22600 1.000 H55 H 2.19500 1.65200 1.80200 1.000 H56 H 1.83600 -2.60500 2.03600 1.000 H57 H 1.28300 -1.60700 3.40200 1.000 H58 H 0.39100 -1.58000 1.86200 1.000 H59 H 4.23700 0.26400 2.18700 1.000 H60 H 3.46600 -0.47400 3.61100 1.000 H61 H 4.10000 -1.50600 2.30700 1.000 H62 H 5.27600 2.42500 0.00900 1.000 H63 H 7.21300 0.74500 -1.26300 1.000 H64 H 4.16300 2.05700 -2.17600 1.000 H65 H 5.83700 2.62100 -2.39800 1.000 H66 H 5.43900 0.90100 -2.63100 1.000 H67 H 7.50600 3.03200 -1.19700 1.000 H68 H 7.28800 3.00500 0.57000 1.000 H69 H 8.71700 2.23600 -0.16300 1.000