# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '072' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S0 S 1.41200 -1.41800 1.81900 1.000 C1 C -0.50300 -2.06400 0.19100 1.000 C2 C -0.33500 -1.99800 1.70000 1.000 O3 O -1.43800 -2.65000 -0.31200 1.000 C4 C -1.29800 -0.98500 2.32200 1.000 C5 C -0.97700 -0.81800 3.78400 1.000 O6 O -0.13400 -1.51800 4.30400 1.000 C7 C 1.52700 -0.75300 0.10200 1.000 C8 C 2.86500 -1.12100 -0.54000 1.000 C9 C 4.00200 -0.43800 0.22000 1.000 C10 C 5.34100 -0.80600 -0.42200 1.000 C11 C 6.47800 -0.12200 0.33800 1.000 C12 C 7.81600 -0.49000 -0.30400 1.000 C13 C 8.95400 0.19200 0.45600 1.000 C14 C 10.29200 -0.17500 -0.18600 1.000 N15 N 0.41000 -1.45700 -0.55600 1.000 C16 C 0.31100 -1.48700 -2.01700 1.000 C17 C -0.50500 -0.28600 -2.49700 1.000 C18 C -0.60800 -0.31700 -4.02400 1.000 C19 C -1.42500 0.88400 -4.50400 1.000 C20 C -1.52700 0.85300 -6.00700 1.000 C21 C -2.57900 0.18800 -6.61300 1.000 C22 C -0.57200 1.49500 -6.77500 1.000 C23 C -2.67800 0.15600 -7.98800 1.000 C24 C -0.65600 1.46600 -8.15200 1.000 C25 C -1.71400 0.79700 -8.77000 1.000 C26 C -1.81400 0.76600 -10.24300 1.000 O27 O -0.88300 1.38600 -10.99400 1.000 O28 O -2.73600 0.18300 -10.77800 1.000 N29 N -1.62600 0.10900 4.51500 1.000 C30 C -1.23000 0.35600 5.90400 1.000 C31 C -0.17400 1.43100 5.94200 1.000 C32 C -0.54200 2.75800 6.05300 1.000 C33 C 1.16200 1.08800 5.87000 1.000 C34 C 0.42600 3.74400 6.08800 1.000 C35 C 2.13100 2.07300 5.90000 1.000 C36 C 1.76300 3.40100 6.01100 1.000 C37 C -2.72700 0.87100 3.92100 1.000 C38 C -4.03800 0.21500 4.27200 1.000 C39 C -4.65400 0.50200 5.47500 1.000 C40 C -4.62700 -0.66800 3.38700 1.000 C41 C -5.85700 -0.09900 5.79700 1.000 C42 C -5.82700 -1.27300 3.71100 1.000 C43 C -6.44300 -0.98700 4.91500 1.000 H44 H -0.45500 -2.98200 2.15400 1.000 H45 H -1.19300 -0.02600 1.81500 1.000 H46 H -2.32200 -1.34300 2.21300 1.000 H47 H 1.37200 0.32500 0.08900 1.000 H48 H 2.87200 -0.79000 -1.57900 1.000 H49 H 3.00100 -2.20200 -0.50300 1.000 H50 H 3.99500 -0.76900 1.25900 1.000 H51 H 3.86600 0.64200 0.18300 1.000 H52 H 5.34800 -0.47400 -1.46100 1.000 H53 H 5.47700 -1.88700 -0.38500 1.000 H54 H 6.47100 -0.45400 1.37700 1.000 H55 H 6.34200 0.95800 0.30100 1.000 H56 H 7.82400 -0.15900 -1.34300 1.000 H57 H 7.95200 -1.57100 -0.26700 1.000 H58 H 8.94600 -0.13800 1.49500 1.000 H59 H 8.81800 1.27300 0.41900 1.000 H60 H 11.10200 0.31100 0.35500 1.000 H61 H 10.42800 -1.25600 -0.14900 1.000 H62 H 10.29900 0.15600 -1.22500 1.000 H63 H 1.31100 -1.44300 -2.45000 1.000 H64 H -0.17900 -2.40800 -2.32900 1.000 H65 H -1.50400 -0.33000 -2.06500 1.000 H66 H -0.01400 0.63500 -2.18500 1.000 H67 H 0.39000 -0.27300 -4.45600 1.000 H68 H -1.09900 -1.23800 -4.33600 1.000 H69 H -2.42500 0.84000 -4.07100 1.000 H70 H -0.93400 1.80500 -4.19200 1.000 H71 H -3.32300 -0.30700 -6.00700 1.000 H72 H 0.24500 2.01200 -6.29600 1.000 H73 H -3.49900 -0.36300 -8.46000 1.000 H74 H 0.09200 1.96400 -8.75000 1.000 H75 H -0.94800 1.36600 -11.95900 1.000 H76 H -2.09900 0.68100 6.47700 1.000 H77 H -0.83100 -0.56000 6.33700 1.000 H78 H -1.58700 3.02600 6.11300 1.000 H79 H 1.45000 0.05000 5.78400 1.000 H80 H 0.13800 4.78100 6.17400 1.000 H81 H 3.17600 1.80600 5.84000 1.000 H82 H 2.52000 4.17100 6.03700 1.000 H83 H -2.71600 1.88900 4.30900 1.000 H84 H -2.61100 0.89300 2.83700 1.000 H85 H -4.19600 1.19600 6.16500 1.000 H86 H -4.14600 -0.89200 2.44600 1.000 H87 H -6.33800 0.12400 6.73800 1.000 H88 H -6.28500 -1.96800 3.02200 1.000 H89 H -7.38200 -1.45800 5.16700 1.000