# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '92D' 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 1.48200 -3.45000 0.63800 1.000 C1 C 2.73000 -4.23700 0.94300 1.000 C2 C 0.24200 -3.99400 0.90600 1.000 C3 C -6.73500 -0.85300 -0.70200 1.000 C4 C -6.70900 0.50700 -0.45100 1.000 C5 C -5.53900 1.11400 -0.03300 1.000 C6 C -4.39200 0.36300 0.13500 1.000 C7 C 0.43100 -1.44200 -0.18500 1.000 C8 C 1.58300 -2.17100 0.09100 1.000 C9 C 2.91700 -1.58800 -0.19500 1.000 C10 C 3.23300 -0.30100 0.23200 1.000 C11 C 4.50100 0.19900 -0.06200 1.000 C12 C 6.23900 1.78700 -0.07800 1.000 C13 C 6.62000 3.17700 0.43800 1.000 C14 C 4.32700 3.86200 0.34300 1.000 C15 C 3.92200 2.47800 -0.17400 1.000 C16 C 5.01800 -1.78000 -1.12300 1.000 C17 C -5.51600 2.59600 0.24000 1.000 C18 C -4.49500 3.26700 -0.68200 1.000 N19 N 4.86500 1.47400 0.34100 1.000 N20 N -3.25600 -1.76700 0.05800 1.000 C21 C -6.90300 3.18400 -0.02200 1.000 C22 C -2.04900 -1.22900 -0.20500 1.000 C23 C -0.81900 -1.99600 0.08700 1.000 N24 N 5.35600 -0.56600 -0.73600 1.000 C25 C -0.90600 -3.27700 0.63500 1.000 C26 C -5.12400 2.84000 1.69900 1.000 C27 C -5.59300 -1.61000 -0.53100 1.000 O28 O -1.97100 -0.11400 -0.68300 1.000 C29 C -4.41500 -1.00300 -0.11600 1.000 N30 N 3.83400 -2.29100 -0.86100 1.000 O31 O 5.67500 4.13500 -0.04600 1.000 H32 H 3.06200 -4.75500 0.04300 1.000 H33 H 3.51400 -3.55900 1.28200 1.000 H34 H 2.51800 -4.96700 1.72500 1.000 H35 H 0.16900 -4.98500 1.32900 1.000 H36 H -7.65100 -1.32300 -1.02900 1.000 H37 H -7.60500 1.09600 -0.58200 1.000 H38 H -3.47800 0.83800 0.46200 1.000 H39 H 0.50400 -0.45100 -0.60900 1.000 H40 H 2.51500 0.29400 0.77700 1.000 H41 H 6.30000 1.77300 -1.16600 1.000 H42 H 6.92300 1.04500 0.33500 1.000 H43 H 6.61100 3.17600 1.52800 1.000 H44 H 7.61700 3.43600 0.08200 1.000 H45 H 3.66500 4.61700 -0.08200 1.000 H46 H 4.25000 3.88100 1.43000 1.000 H47 H 2.91500 2.24200 0.16900 1.000 H48 H 3.94600 2.47600 -1.26400 1.000 H49 H 5.73800 -2.37600 -1.66400 1.000 H50 H -4.77400 3.09300 -1.72100 1.000 H51 H -4.47800 4.33900 -0.48500 1.000 H52 H -3.50600 2.84800 -0.49500 1.000 H53 H -3.32200 -2.68300 0.36900 1.000 H54 H -7.63000 2.70600 0.63500 1.000 H55 H -6.88600 4.25600 0.17500 1.000 H56 H -7.18200 3.01000 -1.06100 1.000 H57 H -1.87400 -3.70800 0.84600 1.000 H58 H -4.13500 2.42100 1.88500 1.000 H59 H -5.10700 3.91200 1.89500 1.000 H60 H -5.85100 2.36200 2.35500 1.000 H61 H -5.61400 -2.67200 -0.72700 1.000