# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '997' 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 -5.00100 0.52600 -0.15500 1.000 C1 C -4.52000 -0.79200 0.39200 1.000 C2 C -6.33400 0.80700 -0.34900 1.000 C3 C -4.04300 1.48600 -0.46300 1.000 N4 N -3.34000 -1.22600 -0.36000 1.000 C5 C -5.61200 -1.85300 0.27100 1.000 C6 C -7.42400 -0.18600 -0.04200 1.000 C7 C -6.71000 2.04800 -0.84800 1.000 C8 C -4.41900 2.71600 -0.96100 1.000 C9 C -2.11800 -0.77100 -0.01800 1.000 C10 C -6.90300 -1.28900 0.87600 1.000 C11 C -5.75900 2.99900 -1.15300 1.000 C12 C -0.90400 -1.21700 -0.79200 1.000 O13 O -1.99600 -0.00300 0.91300 1.000 N14 N 0.31000 -0.60500 -0.23300 1.000 C15 C -0.74100 -2.74700 -0.67500 1.000 C16 C 0.56500 0.71700 -0.17000 1.000 C17 C 1.19900 -1.67600 0.25300 1.000 C18 C 0.79700 -2.92700 -0.56600 1.000 C19 C 1.79200 1.21400 0.55000 1.000 O20 O -0.19200 1.50700 -0.69300 1.000 N21 N 2.30600 2.40800 -0.12600 1.000 C22 C 1.42900 1.56300 1.99500 1.000 C23 C 3.60800 2.73800 -0.01500 1.000 C24 C 0.42500 2.71800 2.00400 1.000 C25 C 0.80700 0.34100 2.67400 1.000 C26 C 2.69200 1.98000 2.75200 1.000 C27 C 4.13600 3.96600 -0.71100 1.000 O28 O 4.35400 2.04700 0.64500 1.000 N29 N 5.57200 4.10500 -0.43600 1.000 C30 C 3.91600 3.83100 -2.21900 1.000 C31 C 5.89400 5.53000 -0.58400 1.000 O32 O 1.12400 -4.12700 0.13700 1.000 C33 C 2.42900 -4.39700 -0.13200 1.000 C34 C 3.18400 -3.50100 -0.87400 1.000 C35 C 4.51000 -3.77800 -1.14700 1.000 C36 C 5.08400 -4.94700 -0.68200 1.000 C37 C 4.33200 -5.84100 0.05800 1.000 C38 C 3.00800 -5.56600 0.33900 1.000 H39 H -4.25200 -0.67000 1.44100 1.000 H40 H -2.99700 1.26600 -0.31200 1.000 H41 H -3.43800 -1.84000 -1.10500 1.000 H42 H -5.77400 -2.09500 -0.78000 1.000 H43 H -5.31400 -2.75100 0.81200 1.000 H44 H -7.77800 -0.63000 -0.97300 1.000 H45 H -8.25100 0.32800 0.44700 1.000 H46 H -7.75600 2.26900 -0.99800 1.000 H47 H -3.66900 3.45500 -1.20100 1.000 H48 H -7.64700 -2.08200 0.95700 1.000 H49 H -6.69600 -0.87700 1.86400 1.000 H50 H -6.05900 3.96100 -1.54100 1.000 H51 H -1.00800 -0.93400 -1.83900 1.000 H52 H -1.12500 -3.24700 -1.56400 1.000 H53 H -1.23700 -3.11800 0.22200 1.000 H54 H 2.24100 -1.41800 0.06500 1.000 H55 H 1.03600 -1.85000 1.31700 1.000 H56 H 1.26200 -2.91500 -1.55200 1.000 H57 H 2.55600 0.43700 0.54500 1.000 H58 H 1.70900 2.96100 -0.65400 1.000 H59 H -0.47500 2.42100 1.46400 1.000 H60 H 0.16600 2.96600 3.03300 1.000 H61 H 0.86800 3.58800 1.52000 1.000 H62 H 1.53600 -0.46900 2.70200 1.000 H63 H 0.51400 0.60100 3.69100 1.000 H64 H -0.07100 0.02100 2.11300 1.000 H65 H 3.13400 2.85100 2.26800 1.000 H66 H 2.43300 2.22900 3.78100 1.000 H67 H 3.40700 1.15800 2.74600 1.000 H68 H 3.60900 4.84600 -0.34400 1.000 H69 H 6.05700 3.61900 -1.17500 1.000 H70 H 4.44300 2.95100 -2.58600 1.000 H71 H 2.85100 3.72800 -2.42300 1.000 H72 H 4.29800 4.71900 -2.72200 1.000 H73 H 5.66100 5.85200 -1.59900 1.000 H74 H 5.30600 6.11200 0.12500 1.000 H75 H 6.95600 5.68500 -0.38900 1.000 H76 H 2.73700 -2.58800 -1.23900 1.000 H77 H 5.09900 -3.08100 -1.72500 1.000 H78 H 6.12000 -5.16100 -0.89600 1.000 H79 H 4.78200 -6.75400 0.42000 1.000 H80 H 2.42100 -6.26600 0.91600 1.000