# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '989' 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 2.61500 3.02600 -4.34400 1.000 C1 C 1.92000 2.14000 -3.60800 1.000 O2 O 1.75100 2.33600 -2.42300 1.000 C3 C 1.35700 0.91600 -4.24900 1.000 O4 O 1.52600 0.72000 -5.43500 1.000 N5 N 0.66100 0.02800 -3.51200 1.000 C6 C 0.13600 -1.11300 -4.11000 1.000 C7 C 0.81500 -2.32200 -4.02400 1.000 C8 C 0.29200 -3.45300 -4.61700 1.000 C9 C -0.90900 -3.39300 -5.30300 1.000 C10 C -1.59700 -2.20300 -5.40000 1.000 C11 C -1.08400 -1.05100 -4.79900 1.000 C12 C -1.81500 0.22500 -4.89900 1.000 O13 O -1.31400 1.24600 -4.47200 1.000 O14 O -3.03800 0.25900 -5.46300 1.000 C15 C 0.46700 0.25300 -2.14900 1.000 C16 C -0.69300 0.84700 -1.70000 1.000 C17 C -0.89600 1.07700 -0.34300 1.000 C18 C 0.04100 0.72200 0.57700 1.000 C19 C 1.24000 0.11900 0.16100 1.000 C20 C 1.45700 -0.12400 -1.21600 1.000 C21 C 2.65300 -0.73100 -1.62900 1.000 C22 C 3.58600 -1.08200 -0.70200 1.000 C23 C 3.37200 -0.84800 0.65400 1.000 C24 C 2.22400 -0.26100 1.09100 1.000 C25 C -0.20300 0.98200 2.04100 1.000 C26 C -0.90200 -0.22700 2.66400 1.000 N27 N -2.18100 -0.45400 1.98700 1.000 C28 C -3.12700 0.50600 1.99400 1.000 O29 O -2.91800 1.55800 2.56000 1.000 C30 C -4.44300 0.27300 1.29800 1.000 C31 C -1.14700 0.03200 4.12800 1.000 O32 O -2.18000 0.55700 4.48600 1.000 N33 N -0.21800 -0.31800 5.04000 1.000 C34 C -0.45700 -0.06500 6.46300 1.000 C35 C 0.74300 -0.55500 7.27600 1.000 C36 C 0.49400 -0.29100 8.76200 1.000 C37 C 1.69400 -0.78100 9.57500 1.000 C38 C 1.44500 -0.51700 11.06100 1.000 H39 H 2.98000 3.81900 -3.92800 1.000 H40 H 1.75300 -2.37700 -3.49100 1.000 H41 H 0.82400 -4.39000 -4.54700 1.000 H42 H -1.30900 -4.28400 -5.76400 1.000 H43 H -2.53400 -2.16200 -5.93700 1.000 H44 H -3.51700 1.09600 -5.52800 1.000 H45 H -1.45300 1.13800 -2.41100 1.000 H46 H -1.81300 1.54400 -0.01500 1.000 H47 H 2.83200 -0.91900 -2.67800 1.000 H48 H 4.50500 -1.54900 -1.02200 1.000 H49 H 4.12800 -1.13600 1.37000 1.000 H50 H 2.07100 -0.08600 2.14500 1.000 H51 H -0.83400 1.86400 2.15300 1.000 H52 H 0.74800 1.15100 2.54500 1.000 H53 H -0.27000 -1.10800 2.55200 1.000 H54 H -2.34800 -1.29500 1.53500 1.000 H55 H -5.07400 1.15400 1.41000 1.000 H56 H -4.26500 0.08500 0.23900 1.000 H57 H -4.94100 -0.58900 1.74200 1.000 H58 H 0.60700 -0.73800 4.75300 1.000 H59 H -1.35300 -0.59800 6.78100 1.000 H60 H -0.59300 1.00300 6.62400 1.000 H61 H 1.63900 -0.02200 6.95700 1.000 H62 H 0.87900 -1.62400 7.11400 1.000 H63 H -0.40100 -0.82300 9.08100 1.000 H64 H 0.35800 0.77800 8.92300 1.000 H65 H 2.59000 -0.24800 9.25600 1.000 H66 H 1.83000 -1.85000 9.41400 1.000 H67 H 2.30000 -0.86500 11.64000 1.000 H68 H 1.30900 0.55200 11.22300 1.000 H69 H 0.54900 -1.04900 11.38000 1.000