# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '04W' 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 13.91200 -1.86300 0.58200 1.000 O1 O -5.53300 -2.41200 -2.52500 1.000 O2 O -9.35600 -0.57600 2.17000 1.000 O3 O -3.78400 -1.09800 -2.14700 1.000 O4 O -9.39300 -1.94600 0.56600 1.000 C5 C -0.23600 3.13200 -1.43800 1.000 C6 C -1.49500 2.84700 -0.94300 1.000 C7 C 0.86100 2.42500 -0.98500 1.000 C8 C -6.79400 0.31300 1.54400 1.000 C9 C -5.52200 0.71600 1.18800 1.000 C10 C -0.56400 1.15200 0.46900 1.000 C11 C -6.84000 -1.24400 -0.27700 1.000 C12 C 12.82800 -0.97800 -0.03700 1.000 C13 C 11.46700 -1.34900 0.55600 1.000 C14 C 10.38300 -0.46400 -0.06300 1.000 C15 C 9.02200 -0.83500 0.53000 1.000 C16 C 7.93800 0.05000 -0.08900 1.000 C17 C 6.57700 -0.32100 0.50400 1.000 C18 C 5.49300 0.56400 -0.11500 1.000 C19 C 4.13200 0.19300 0.47800 1.000 C20 C 3.04800 1.07800 -0.14100 1.000 C21 C -3.03300 1.55000 0.54600 1.000 O22 O 1.77700 0.73200 0.41200 1.000 O23 O -3.64500 0.54200 -0.26100 1.000 C24 C -4.89900 -1.45400 -1.82100 1.000 C25 C -1.65900 1.85800 0.00900 1.000 C26 C 0.69900 1.42800 -0.03400 1.000 C27 C -7.45000 -0.66400 0.81400 1.000 C28 C -4.89500 0.14700 0.09000 1.000 C29 C -5.55800 -0.83800 -0.65600 1.000 N30 N -8.81300 -1.08700 1.20700 1.000 H31 H 14.88100 -1.59900 0.16000 1.000 H32 H 13.93200 -1.71200 1.66100 1.000 H33 H 13.69400 -2.90900 0.36600 1.000 H34 H -5.06000 -2.78700 -3.28100 1.000 H35 H -0.11100 3.90500 -2.18100 1.000 H36 H -2.35200 3.39800 -1.30000 1.000 H37 H 1.84500 2.64800 -1.37200 1.000 H38 H -7.27900 0.75900 2.40100 1.000 H39 H -5.01600 1.47600 1.76500 1.000 H40 H -0.69200 0.38000 1.21300 1.000 H41 H -7.35200 -2.01200 -0.83800 1.000 H42 H 13.04500 0.06800 0.17900 1.000 H43 H 12.80700 -1.13000 -1.11600 1.000 H44 H 11.24900 -2.39500 0.34000 1.000 H45 H 11.48700 -1.19700 1.63500 1.000 H46 H 10.60000 0.58200 0.15300 1.000 H47 H 10.36200 -0.61600 -1.14200 1.000 H48 H 8.80400 -1.88100 0.31400 1.000 H49 H 9.04200 -0.68300 1.60900 1.000 H50 H 8.15500 1.09600 0.12700 1.000 H51 H 7.91700 -0.10200 -1.16800 1.000 H52 H 6.35900 -1.36700 0.28800 1.000 H53 H 6.59700 -0.16900 1.58300 1.000 H54 H 5.71000 1.61000 0.10100 1.000 H55 H 5.47200 0.41200 -1.19400 1.000 H56 H 3.91400 -0.85300 0.26200 1.000 H57 H 4.15200 0.34500 1.55700 1.000 H58 H 3.26600 2.12400 0.07500 1.000 H59 H 3.02800 0.92600 -1.22000 1.000 H60 H -3.64200 2.45300 0.52400 1.000 H61 H -2.95000 1.19300 1.57300 1.000