# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9WX' 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 -1.24200 5.88500 -2.24200 1.000 C1 C -0.24600 4.72900 -2.13200 1.000 O2 O 0.33300 4.71400 -0.80100 1.000 C3 C 1.23300 3.75300 -0.53900 1.000 O4 O 1.52800 2.95200 -1.39400 1.000 C5 C 1.87700 3.67400 0.82200 1.000 N6 N 2.81500 2.54900 0.85400 1.000 C7 C 2.52400 1.26000 1.21100 1.000 C8 C 4.12500 2.58900 0.53100 1.000 N9 N 4.63000 1.39500 0.68200 1.000 C10 C 3.66800 0.55800 1.09900 1.000 S11 S 3.86600 -1.16000 1.43700 1.000 O12 O 5.24200 -1.35500 1.73000 1.000 O13 O 2.82200 -1.51500 2.33400 1.000 N14 N 3.56700 -1.97500 0.02700 1.000 C15 C 2.35500 -2.01500 -0.61900 1.000 N16 N 1.16800 -1.48200 -0.36400 1.000 C17 C 4.49200 -2.70200 -0.67000 1.000 C18 C 3.92500 -3.23400 -1.76600 1.000 C19 C 2.52500 -2.80900 -1.77300 1.000 N20 N 1.49900 -3.02200 -2.59100 1.000 C21 C 0.32400 -2.48600 -2.31700 1.000 C22 C 0.15900 -1.69900 -1.18600 1.000 C23 C -1.19000 -1.09500 -0.88900 1.000 C24 C -2.04700 -2.11100 -0.13200 1.000 C25 C -3.39600 -1.50700 0.16600 1.000 C26 C -4.43100 -1.65200 -0.73800 1.000 C27 C -3.59600 -0.81400 1.34400 1.000 C28 C -4.83900 -0.26200 1.62300 1.000 O29 O -5.03600 0.41500 2.78400 1.000 C30 C -6.34200 0.95200 3.00800 1.000 C31 C -5.87900 -0.40600 0.71800 1.000 C32 C -5.67400 -1.09700 -0.46600 1.000 O33 O -6.69200 -1.24000 -1.35500 1.000 C34 C -7.94600 -0.65300 -1.00500 1.000 H35 H -1.67700 5.89700 -3.24100 1.000 H36 H -2.03300 5.75500 -1.50300 1.000 H37 H -0.72600 6.82800 -2.05900 1.000 H38 H -0.76200 3.78600 -2.31500 1.000 H39 H 0.54500 4.85900 -2.87100 1.000 H40 H 2.41400 4.60100 1.02300 1.000 H41 H 1.10700 3.52800 1.58000 1.000 H42 H 1.56300 0.87900 1.52200 1.000 H43 H 4.66700 3.46400 0.20300 1.000 H44 H 5.52400 -2.83000 -0.38200 1.000 H45 H 4.41200 -3.85500 -2.50400 1.000 H46 H -0.51100 -2.65700 -2.98000 1.000 H47 H -1.06100 -0.20200 -0.27800 1.000 H48 H -1.68300 -0.82900 -1.82400 1.000 H49 H -2.17600 -3.00500 -0.74300 1.000 H50 H -1.55500 -2.37800 0.80300 1.000 H51 H -4.27300 -2.19800 -1.65600 1.000 H52 H -2.78600 -0.70200 2.04900 1.000 H53 H -6.58600 1.65700 2.21300 1.000 H54 H -7.07200 0.14300 3.01300 1.000 H55 H -6.36300 1.46700 3.96800 1.000 H56 H -6.84600 0.02300 0.93300 1.000 H57 H -8.67000 -0.84100 -1.79800 1.000 H58 H -8.30600 -1.09300 -0.07400 1.000 H59 H -7.82100 0.42100 -0.87400 1.000