# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '996' 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 -2.38000 0.83100 -2.02100 1.000 C1 C -2.30500 1.32900 -0.91700 1.000 C2 C -1.92600 2.78000 -0.76900 1.000 N3 N -2.56500 0.58500 0.17600 1.000 C4 C -2.93900 -0.82400 0.03200 1.000 C5 C -4.21800 -0.93000 -0.80000 1.000 C6 C -5.35900 -0.29000 -0.05100 1.000 C7 C -5.63200 1.05400 -0.22500 1.000 C8 C -6.67700 1.64100 0.46300 1.000 C9 C -7.45000 0.88500 1.32400 1.000 C10 C -7.17700 -0.45900 1.49700 1.000 C11 C -6.13500 -1.04800 0.80500 1.000 C12 C -1.81000 -1.58200 -0.67100 1.000 O13 O -2.17500 -2.95600 -0.81200 1.000 C14 C -0.53000 -1.47600 0.16100 1.000 N15 N 0.58100 -2.10000 -0.56900 1.000 C16 C 1.82900 -2.01800 0.20100 1.000 C17 C 2.51300 -0.70200 -0.07700 1.000 C18 C 3.89300 -0.57500 -0.30800 1.000 C19 C 4.84900 -1.74200 -0.30000 1.000 C20 C 4.15800 -2.92400 0.39200 1.000 C21 C 4.00600 -2.62100 1.88400 1.000 C22 C 5.00400 -4.18500 0.21300 1.000 C23 C 2.77600 -3.14800 -0.22400 1.000 N24 N 4.15700 0.68200 -0.51600 1.000 N25 N 2.95600 1.40200 -0.42300 1.000 C26 C 1.96300 0.52500 -0.15200 1.000 C27 C 2.80400 2.84900 -0.59000 1.000 C28 C 3.74600 3.57500 0.37300 1.000 C29 C 5.19100 3.17600 0.07000 1.000 C30 C 3.58700 5.08700 0.19900 1.000 C31 C 3.40000 3.18900 1.81200 1.000 H32 H -1.76000 3.21400 -1.75400 1.000 H33 H -2.73200 3.31600 -0.26600 1.000 H34 H -1.01400 2.85900 -0.17800 1.000 H35 H -2.50500 0.98300 1.05900 1.000 H36 H -3.10900 -1.25800 1.01700 1.000 H37 H -4.07600 -0.41800 -1.75200 1.000 H38 H -4.44800 -1.98000 -0.98300 1.000 H39 H -5.02800 1.64600 -0.89700 1.000 H40 H -6.89100 2.69100 0.32800 1.000 H41 H -8.26600 1.34400 1.86200 1.000 H42 H -7.78000 -1.05000 2.17100 1.000 H43 H -5.92200 -2.09800 0.94100 1.000 H44 H -1.64000 -1.14800 -1.65600 1.000 H45 H -2.34200 -3.40700 0.02700 1.000 H46 H -0.30100 -0.42700 0.34400 1.000 H47 H -0.67200 -1.98800 1.11300 1.000 H48 H 0.36600 -3.05700 -0.80700 1.000 H49 H 1.61100 -2.10200 1.26500 1.000 H50 H 5.10500 -2.01500 -1.32400 1.000 H51 H 5.75300 -1.47400 0.24700 1.000 H52 H 3.40500 -1.72100 2.01300 1.000 H53 H 3.51500 -3.46000 2.37700 1.000 H54 H 4.99000 -2.46600 2.32600 1.000 H55 H 5.98800 -4.02900 0.65600 1.000 H56 H 4.51400 -5.02500 0.70400 1.000 H57 H 5.11500 -4.40000 -0.85000 1.000 H58 H 2.37700 -4.10300 0.11700 1.000 H59 H 2.86100 -3.15900 -1.31100 1.000 H60 H 0.91900 0.76400 -0.02000 1.000 H61 H 3.05000 3.12500 -1.61500 1.000 H62 H 1.77400 3.13400 -0.37400 1.000 H63 H 5.43700 3.45100 -0.95500 1.000 H64 H 5.86200 3.69300 0.75600 1.000 H65 H 5.30400 2.09900 0.19400 1.000 H66 H 3.83300 5.36200 -0.82700 1.000 H67 H 2.55700 5.37100 0.41400 1.000 H68 H 4.25800 5.60400 0.88500 1.000 H69 H 4.07100 3.70600 2.49800 1.000 H70 H 2.37000 3.47300 2.02800 1.000 H71 H 3.51300 2.11200 1.93700 1.000