# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '901' 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 -0.95500 -3.59500 7.83300 1.000 C1 C -0.63900 -2.56600 7.02500 1.000 O2 O -1.07400 -2.52800 5.89300 1.000 C3 C 0.24600 -1.47300 7.52100 1.000 O4 O 0.68200 -1.51100 8.65300 1.000 N5 N 0.56300 -0.44200 6.71200 1.000 C6 C 1.38900 0.57700 7.17500 1.000 C7 C 0.83800 1.75200 7.66900 1.000 C8 C 1.65900 2.76200 8.12800 1.000 C9 C 3.03700 2.61300 8.10000 1.000 C10 C 3.60200 1.45500 7.61300 1.000 C11 C 2.78400 0.42100 7.15000 1.000 C12 C 3.38200 -0.82000 6.62800 1.000 O13 O 2.67000 -1.75800 6.32900 1.000 O14 O 4.71800 -0.91600 6.48300 1.000 C15 C 0.06100 -0.39800 5.40700 1.000 C16 C 0.82800 -0.87100 4.35000 1.000 C17 C 0.32900 -0.82600 3.06300 1.000 C18 C -0.93300 -0.31500 2.82700 1.000 C19 C -1.70200 0.15100 3.87700 1.000 C20 C -1.20900 0.10800 5.16700 1.000 C21 C -2.04700 0.61600 6.31200 1.000 C22 C -3.09300 -0.43600 6.68500 1.000 C23 C -1.47400 -0.26700 1.42100 1.000 C24 C -1.09300 1.06500 0.77300 1.000 N25 N -1.66100 2.16700 1.55300 1.000 C26 C -2.99500 2.25700 1.72000 1.000 O27 O -3.72600 1.42400 1.22500 1.000 C28 C -3.58000 3.39000 2.52200 1.000 C29 C -1.63300 1.11300 -0.63200 1.000 O30 O -2.74100 1.56100 -0.84100 1.000 N31 N -0.88600 0.65900 -1.65700 1.000 C32 C -1.41100 0.70600 -3.02400 1.000 C33 C -0.37200 0.13400 -3.99000 1.000 C34 C -0.92100 0.18300 -5.41700 1.000 C35 C 0.11800 -0.38800 -6.38300 1.000 C36 C -0.42200 -0.34000 -7.78900 1.000 O37 O -1.52900 0.10700 -7.99800 1.000 N38 N 0.32500 -0.79400 -8.81500 1.000 C39 C -0.20000 -0.74700 -10.18100 1.000 C40 C -0.93600 -2.02800 -10.48100 1.000 O41 O -1.86300 -2.02500 -11.25600 1.000 O42 O -0.56200 -3.17200 -9.88600 1.000 C43 C 0.95700 -0.58200 -11.16800 1.000 C44 C 1.70500 0.71700 -10.86400 1.000 S45 S 3.07700 0.91200 -12.03300 1.000 C46 C 3.76300 2.48800 -11.45300 1.000 H47 H -1.52900 -4.30300 7.51100 1.000 H48 H -0.23400 1.87600 7.69400 1.000 H49 H 1.22600 3.67400 8.51100 1.000 H50 H 3.67100 3.41000 8.46100 1.000 H51 H 4.67600 1.34400 7.59300 1.000 H52 H 5.10500 -1.70200 6.07400 1.000 H53 H 1.81400 -1.27000 4.53300 1.000 H54 H 0.92700 -1.18900 2.24000 1.000 H55 H -2.68800 0.54800 3.69000 1.000 H56 H -2.54800 1.53700 6.01400 1.000 H57 H -1.40700 0.81200 7.17200 1.000 H58 H -3.70300 -0.06600 7.50900 1.000 H59 H -3.73100 -0.63500 5.82300 1.000 H60 H -2.59200 -1.35500 6.98700 1.000 H61 H -2.56000 -0.36100 1.44500 1.000 H62 H -1.05100 -1.08700 0.84100 1.000 H63 H -0.00700 1.15900 0.74800 1.000 H64 H -1.07700 2.83300 1.94900 1.000 H65 H -4.66600 3.29600 2.54700 1.000 H66 H -3.18900 3.35600 3.53900 1.000 H67 H -3.30800 4.34000 2.06100 1.000 H68 H -0.00000 0.30100 -1.49000 1.000 H69 H -1.62900 1.73900 -3.29400 1.000 H70 H -2.32500 0.11500 -3.08200 1.000 H71 H -0.15400 -0.89900 -3.72000 1.000 H72 H 0.54100 0.72500 -3.93200 1.000 H73 H -1.13800 1.21600 -5.68800 1.000 H74 H -1.83500 -0.40700 -5.47600 1.000 H75 H 0.33600 -1.42200 -6.11300 1.000 H76 H 1.03200 0.20200 -6.32500 1.000 H77 H 1.21100 -1.15200 -8.64800 1.000 H78 H -0.88300 0.09500 -10.27900 1.000 H79 H -1.03400 -3.99300 -10.07800 1.000 H80 H 0.56600 -0.54800 -12.18400 1.000 H81 H 1.64100 -1.42600 -11.07000 1.000 H82 H 2.09600 0.68200 -9.84700 1.000 H83 H 1.02100 1.56000 -10.96100 1.000 H84 H 4.62200 2.75900 -12.06700 1.000 H85 H 3.00300 3.26500 -11.52800 1.000 H86 H 4.07700 2.38700 -10.41400 1.000