# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0DO' 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 3.86400 -0.31300 0.06500 1.000 C1 C 4.92500 -1.25500 0.57100 1.000 C2 C 7.23300 -1.26600 1.14300 1.000 C3 C 8.05700 -1.92300 0.24100 1.000 C4 C 9.14600 -2.64000 0.69900 1.000 C5 C 9.41400 -2.70300 2.05400 1.000 C6 C 8.59300 -2.04900 2.95400 1.000 C7 C 7.50300 -1.33100 2.50200 1.000 C8 C 7.76600 -1.85500 -1.23600 1.000 C9 C 6.61000 -0.61800 3.48400 1.000 O10 O 4.14200 0.84500 -0.16800 1.000 O11 O 6.16500 -0.55500 0.69500 1.000 N12 N 2.60700 -0.75800 -0.13500 1.000 C13 C 1.57600 0.15900 -0.62800 1.000 C14 C 0.19700 -0.34600 -0.19600 1.000 O15 O -0.07300 -1.59700 -0.83100 1.000 C16 C 1.63900 0.22400 -2.15500 1.000 C17 C 2.95000 0.83600 -2.57800 1.000 C18 C 4.05000 0.02800 -2.79800 1.000 C19 C 3.05100 2.20300 -2.75100 1.000 C20 C 5.25300 0.58900 -3.18500 1.000 C21 C 4.25300 2.76400 -3.13900 1.000 C22 C 5.35500 1.95700 -3.35400 1.000 C23 C -0.86900 0.67400 -0.60100 1.000 N24 N -2.16600 0.27600 -0.03900 1.000 C25 C -3.10900 1.40100 -0.04300 1.000 C26 C -4.39500 0.99300 0.68000 1.000 C27 C -5.01200 -0.21500 -0.03000 1.000 C28 C -3.99200 -1.35700 -0.05500 1.000 C29 C -2.71800 -0.88100 -0.75600 1.000 C30 C -2.48800 2.57900 0.66400 1.000 O31 O -1.67300 2.39700 1.54300 1.000 N32 N -7.79900 -4.49200 -1.26000 1.000 C33 C -6.96000 -4.58700 -0.24700 1.000 C34 C -6.53800 -3.45800 0.42900 1.000 C35 C -7.00800 -2.21600 0.03100 1.000 C36 C -7.88900 -2.15600 -1.03900 1.000 C37 C -8.26600 -3.32800 -1.66700 1.000 S38 S -6.49800 -0.74900 0.86300 1.000 O39 O -6.16200 -1.18800 2.17200 1.000 O40 O -7.56500 0.16500 0.64700 1.000 N41 N -2.84000 3.83300 0.31900 1.000 C42 C -2.23600 4.97800 1.00600 1.000 C43 C -0.72000 4.95100 0.80700 1.000 C44 C -2.80300 6.27600 0.42900 1.000 C45 C -2.55500 4.90200 2.50100 1.000 H46 H 4.62900 -1.64600 1.54500 1.000 H47 H 5.04300 -2.08100 -0.13100 1.000 H48 H 9.78800 -3.15200 -0.00200 1.000 H49 H 10.26500 -3.26400 2.41000 1.000 H50 H 8.80400 -2.10100 4.01200 1.000 H51 H 8.28100 -0.99800 -1.66900 1.000 H52 H 8.11300 -2.76900 -1.71700 1.000 H53 H 6.69200 -1.74900 -1.39000 1.000 H54 H 5.80800 -1.28600 3.79700 1.000 H55 H 7.19300 -0.31700 4.35400 1.000 H56 H 6.18200 0.26600 3.01000 1.000 H57 H 2.38600 -1.68400 0.04700 1.000 H58 H 1.74500 1.15300 -0.21400 1.000 H59 H 0.18100 -0.47700 0.88600 1.000 H60 H -0.07500 -1.55400 -1.79700 1.000 H61 H 1.55800 -0.78200 -2.56600 1.000 H62 H 0.81600 0.83500 -2.52700 1.000 H63 H 3.97000 -1.04100 -2.66700 1.000 H64 H 2.19000 2.83400 -2.58400 1.000 H65 H 6.11200 -0.04200 -3.35700 1.000 H66 H 4.33200 3.83300 -3.27400 1.000 H67 H 6.29400 2.39500 -3.65600 1.000 H68 H -0.59500 1.65800 -0.22100 1.000 H69 H -0.94000 0.71200 -1.68800 1.000 H70 H -3.34200 1.67700 -1.07100 1.000 H71 H -4.16500 0.73100 1.71200 1.000 H72 H -5.10100 1.82400 0.66300 1.000 H73 H -5.27800 0.05800 -1.05100 1.000 H74 H -3.75600 -1.65700 0.96600 1.000 H75 H -4.41000 -2.20600 -0.59600 1.000 H76 H -2.95200 -0.59500 -1.78100 1.000 H77 H -1.98400 -1.68800 -0.76300 1.000 H78 H -6.59900 -5.55800 0.05700 1.000 H79 H -5.85200 -3.54300 1.25900 1.000 H80 H -8.27500 -1.20600 -1.37600 1.000 H81 H -8.95200 -3.28900 -2.50100 1.000 H82 H -3.49200 3.97800 -0.38400 1.000 H83 H -0.49200 5.00500 -0.25800 1.000 H84 H -0.27000 5.80200 1.31800 1.000 H85 H -0.31500 4.02600 1.21800 1.000 H86 H -3.88400 6.29600 0.57100 1.000 H87 H -2.35400 7.12800 0.94000 1.000 H88 H -2.57600 6.33000 -0.63600 1.000 H89 H -2.15100 3.97700 2.91200 1.000 H90 H -2.10600 5.75400 3.01200 1.000 H91 H -3.63600 4.92100 2.64300 1.000