# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '017' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -2.26600 5.75200 0.37400 1.000 C1 C -2.76100 4.49100 0.03600 1.000 C2 C -2.06800 3.68800 -0.86100 1.000 C3 C -2.56000 2.44100 -1.19200 1.000 C4 C -3.74200 1.99200 -0.63200 1.000 C5 C -4.43400 2.78800 0.26200 1.000 C6 C -3.94500 4.03400 0.60100 1.000 S7 S -4.36700 0.40000 -1.05800 1.000 O8 O -5.76500 0.43800 -0.80900 1.000 O9 O -3.81200 0.07700 -2.32600 1.000 N10 N -3.72900 -0.68200 0.02100 1.000 C11 C -4.43900 -0.97700 1.26800 1.000 C12 C -5.33100 -2.20500 1.06900 1.000 C13 C -4.45700 -3.43300 0.80800 1.000 C14 C -6.17100 -2.43400 2.32700 1.000 C15 C -2.45600 -1.34400 -0.27100 1.000 C16 C -1.31200 -0.55600 0.37100 1.000 O17 O -1.44400 -0.60000 1.79300 1.000 C18 C 0.02600 -1.17500 -0.03700 1.000 N19 N 1.12300 -0.35200 0.47900 1.000 C20 C 2.32500 -0.37200 -0.13000 1.000 O21 O 2.49900 -1.07300 -1.10700 1.000 O22 O 3.33200 0.38400 0.34500 1.000 C23 C 4.59900 0.31300 -0.36100 1.000 C24 C 4.66700 1.39700 -1.45200 1.000 O25 O 5.72000 2.30200 -1.09200 1.000 C26 C 6.66100 1.58400 -0.27100 1.000 O27 O 7.25100 2.49900 0.66300 1.000 C28 C 6.45700 2.58200 1.85100 1.000 C29 C 5.26100 1.62200 1.68100 1.000 C30 C 5.76600 0.64200 0.59300 1.000 C31 C 0.13200 -2.58800 0.54200 1.000 C32 C 2.57100 -3.11200 0.75200 1.000 C33 C 3.72700 -3.71300 0.29200 1.000 C34 C 3.70600 -4.44400 -0.88100 1.000 C35 C 2.52900 -4.57600 -1.59300 1.000 C36 C 1.37200 -3.97400 -1.13200 1.000 C37 C 1.39300 -3.24300 0.04000 1.000 H38 H -1.43700 6.06900 -0.01800 1.000 H39 H -2.75300 6.31400 0.99800 1.000 H40 H -1.14500 4.03900 -1.29900 1.000 H41 H -2.02200 1.81700 -1.89000 1.000 H42 H -5.35700 2.43400 0.69700 1.000 H43 H -4.48400 4.65400 1.30300 1.000 H44 H -3.71600 -1.17800 2.05900 1.000 H45 H -5.05500 -0.12200 1.54700 1.000 H46 H -5.99100 -2.04000 0.21700 1.000 H47 H -3.95900 -3.32600 -0.15600 1.000 H48 H -3.70800 -3.52000 1.59500 1.000 H49 H -5.08100 -4.32700 0.79800 1.000 H50 H -6.79300 -1.55900 2.51300 1.000 H51 H -6.80600 -3.30900 2.18500 1.000 H52 H -5.51100 -2.59900 3.17900 1.000 H53 H -2.47100 -2.35600 0.13300 1.000 H54 H -2.30700 -1.38600 -1.35000 1.000 H55 H -1.35100 0.48000 0.03500 1.000 H56 H -1.41800 -1.49300 2.16300 1.000 H57 H 0.08800 -1.22300 -1.12400 1.000 H58 H 0.98300 0.20700 1.26000 1.000 H59 H 4.73300 -0.67600 -0.80000 1.000 H60 H 4.88600 0.93900 -2.41600 1.000 H61 H 3.71900 1.93300 -1.50100 1.000 H62 H 7.40600 1.04900 -0.85900 1.000 H63 H 7.05100 2.28300 2.71400 1.000 H64 H 6.09600 3.60100 1.98500 1.000 H65 H 5.05400 1.09300 2.61200 1.000 H66 H 4.37800 2.16100 1.33700 1.000 H67 H 6.28200 -0.23800 0.97700 1.000 H68 H 0.16000 -2.53300 1.63000 1.000 H69 H -0.73200 -3.17400 0.22900 1.000 H70 H 2.58600 -2.54400 1.67100 1.000 H71 H 4.64800 -3.61000 0.84800 1.000 H72 H 4.61000 -4.91300 -1.24100 1.000 H73 H 2.51300 -5.14600 -2.50900 1.000 H74 H 0.45200 -4.07700 -1.68900 1.000