# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0TQ' 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 -4.94200 -5.04100 -0.09500 1.000 C1 C -4.45900 -3.97600 0.24800 1.000 N2 N -3.34200 -3.81500 0.97700 1.000 C3 C -4.99100 -2.64600 -0.06900 1.000 C4 C -6.10800 -2.35000 -0.79400 1.000 C5 C -6.57300 -0.92200 -0.91300 1.000 N6 N -6.80300 -3.34500 -1.41000 1.000 C7 C -8.00300 -3.02800 -2.18800 1.000 C8 C -4.05200 -1.69400 0.56900 1.000 C9 C -3.06600 -2.47000 1.19200 1.000 C10 C -2.03900 -1.83300 1.88000 1.000 C11 C -1.99800 -0.45500 1.94300 1.000 C12 C -4.00200 -0.30600 0.63800 1.000 C13 C -2.97500 0.30800 1.32600 1.000 S14 S -2.90600 2.06700 1.41800 1.000 O15 O -4.23300 2.53100 1.21500 1.000 O16 O -2.14200 2.37800 2.57600 1.000 N17 N -2.02300 2.59100 0.12000 1.000 C18 C -2.69300 2.90100 -1.14500 1.000 C19 C -2.99500 4.40000 -1.20900 1.000 C20 C -3.58100 4.74400 -2.58000 1.000 C21 C -4.00300 4.76400 -0.11700 1.000 C22 C -0.57000 2.74600 0.23600 1.000 C23 C 0.12000 1.47800 -0.27100 1.000 O24 O -0.13300 1.32400 -1.66900 1.000 C25 C 1.62700 1.58800 -0.03400 1.000 C26 C 2.19500 2.72600 -0.88600 1.000 C27 C 3.65500 2.91500 -0.56200 1.000 C28 C 4.61500 2.21700 -1.26900 1.000 C29 C 5.95400 2.39000 -0.97200 1.000 C30 C 6.33200 3.26200 0.03200 1.000 C31 C 5.37100 3.96000 0.73900 1.000 C32 C 4.03300 3.79200 0.43800 1.000 N33 N 2.27400 0.32800 -0.40900 1.000 C34 C 3.45200 -0.01600 0.14700 1.000 O35 O 3.97800 0.71800 0.96000 1.000 O36 O 4.04600 -1.17400 -0.19700 1.000 C37 C 5.31300 -1.48000 0.44200 1.000 C38 C 6.18000 -2.36700 -0.47300 1.000 C39 C 5.34300 -2.78900 -1.70800 1.000 C40 C 5.87700 -4.22400 -1.94900 1.000 O41 O 6.10600 -4.76500 -0.63900 1.000 C42 C 6.31700 -3.70600 0.30400 1.000 O43 O 5.22000 -3.70600 1.24200 1.000 C44 C 5.08800 -2.34200 1.70400 1.000 H45 H -2.79700 -4.54400 1.31100 1.000 H46 H -5.83000 -0.34200 -1.46000 1.000 H47 H -7.52300 -0.89200 -1.44800 1.000 H48 H -6.70400 -0.49800 0.08300 1.000 H49 H -6.50400 -4.26500 -1.33400 1.000 H50 H -8.42000 -3.94500 -2.60300 1.000 H51 H -8.74000 -2.55300 -1.54200 1.000 H52 H -7.74000 -2.34900 -3.00000 1.000 H53 H -1.27200 -2.41800 2.36600 1.000 H54 H -1.19700 0.03200 2.47900 1.000 H55 H -4.76400 0.28800 0.15600 1.000 H56 H -2.04500 2.62500 -1.97700 1.000 H57 H -3.62500 2.34000 -1.21000 1.000 H58 H -2.07400 4.96300 -1.05600 1.000 H59 H -4.50200 4.18100 -2.73300 1.000 H60 H -3.79600 5.81200 -2.62500 1.000 H61 H -2.86300 4.48500 -3.35800 1.000 H62 H -3.58500 4.51900 0.85900 1.000 H63 H -4.21700 5.83200 -0.16300 1.000 H64 H -4.92300 4.20100 -0.27000 1.000 H65 H -0.24700 3.59900 -0.36000 1.000 H66 H -0.30500 2.91100 1.28000 1.000 H67 H -0.27000 0.61300 0.26600 1.000 H68 H 0.18700 2.05900 -2.21000 1.000 H69 H 1.81600 1.79400 1.01900 1.000 H70 H 2.08600 2.47900 -1.94200 1.000 H71 H 1.65300 3.64600 -0.67000 1.000 H72 H 4.32000 1.53500 -2.05300 1.000 H73 H 6.70500 1.84400 -1.52400 1.000 H74 H 7.37800 3.39700 0.26400 1.000 H75 H 5.66700 4.64100 1.52300 1.000 H76 H 3.28200 4.33700 0.99000 1.000 H77 H 1.85400 -0.25800 -1.05800 1.000 H78 H 5.84300 -0.56200 0.69700 1.000 H79 H 7.13200 -1.90700 -0.73800 1.000 H80 H 4.27800 -2.80000 -1.47600 1.000 H81 H 5.55000 -2.14400 -2.56200 1.000 H82 H 5.13400 -4.81900 -2.48000 1.000 H83 H 6.80800 -4.19100 -2.51500 1.000 H84 H 7.28600 -3.79100 0.79600 1.000 H85 H 5.84500 -2.12200 2.45600 1.000 H86 H 4.09000 -2.17300 2.10700 1.000