# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '098' 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 1.88300 0.68700 -0.01000 1.000 C1 C 3.77100 1.86600 -0.96200 1.000 C2 C 5.11800 1.68300 -1.66500 1.000 C3 C 5.84100 2.94300 -2.14500 1.000 C4 C 0.93300 -3.01900 -0.02500 1.000 C5 C 0.57500 -4.82300 -1.56200 1.000 C6 C -0.76800 -4.64900 0.41600 1.000 C7 C -0.34700 -0.35400 0.28900 1.000 C8 C -3.77500 -0.30100 -0.76000 1.000 C9 C -4.92700 0.72200 -0.66100 1.000 C10 C -4.74000 3.34500 -0.57000 1.000 O11 O 1.43500 1.68500 3.60800 1.000 N12 N 1.17600 1.44200 2.23700 1.000 C13 C 2.10200 0.82900 1.47400 1.000 O14 O 3.11300 0.39100 1.98200 1.000 N15 N 3.18000 0.55000 -0.68600 1.000 C16 C 6.36900 2.17300 -0.93300 1.000 C17 C 1.03200 -0.55500 -0.28300 1.000 C18 C 1.68400 -1.77400 0.37200 1.000 C19 C 1.26100 -3.68000 -1.19500 1.000 C20 C -0.44100 -5.30700 -0.76100 1.000 O21 O -1.76700 -5.12300 1.20600 1.000 C22 C -0.07800 -3.50300 0.78200 1.000 O23 O -0.55700 -0.58200 1.46100 1.000 N24 N -1.34900 0.07900 -0.50300 1.000 C25 C -2.66400 0.37100 0.07300 1.000 O26 O -3.36100 -0.46900 -2.11700 1.000 C27 C -4.25300 2.05700 -0.42600 1.000 C28 C -3.92900 4.42900 -0.29300 1.000 C29 C -2.62800 4.22800 0.12800 1.000 C30 C -2.14100 2.94300 0.27200 1.000 C31 C -2.95200 1.85500 -0.00400 1.000 H32 H 1.36800 1.57100 -0.38700 1.000 H33 H 3.92000 2.40200 -0.02500 1.000 H34 H 3.10100 2.43800 -1.60500 1.000 H35 H 5.21100 0.78600 -2.27600 1.000 H36 H 6.41100 2.87400 -3.07200 1.000 H37 H 5.35800 3.90200 -1.96100 1.000 H38 H 0.83300 -5.33700 -2.47600 1.000 H39 H -4.06600 -1.25500 -0.32100 1.000 H40 H -5.49500 0.74300 -1.59200 1.000 H41 H -5.58100 0.47600 0.17500 1.000 H42 H -5.75600 3.50300 -0.90000 1.000 H43 H 0.71200 2.13000 4.07200 1.000 H44 H 0.33200 1.71700 1.84700 1.000 H45 H 3.81100 -0.02300 -0.14500 1.000 H46 H 6.23300 2.62500 0.04900 1.000 H47 H 7.28600 1.59700 -1.06200 1.000 H48 H 0.96000 -0.71600 -1.35900 1.000 H49 H 1.65500 -1.66300 1.45600 1.000 H50 H 2.72000 -1.85400 0.04300 1.000 H51 H 2.05500 -3.30200 -1.82300 1.000 H52 H -0.97700 -6.19900 -1.04800 1.000 H53 H -1.47300 -5.75700 1.87400 1.000 H54 H -0.33100 -2.98900 1.69800 1.000 H55 H -1.19900 0.19600 -1.45400 1.000 H56 H -2.70700 0.03000 1.10700 1.000 H57 H -4.07100 -0.74000 -2.71500 1.000 H58 H -4.31100 5.43300 -0.40700 1.000 H59 H -1.99300 5.07400 0.34500 1.000 H60 H -1.12500 2.78600 0.60200 1.000