# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J12' 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 -0.86700 -4.41100 -10.32000 1.000 O1 O -1.52800 -3.39700 -9.56500 1.000 C2 C -0.73100 -2.56000 -8.83300 1.000 C3 C -0.75200 -1.19200 -9.08400 1.000 C4 C 0.06000 -0.33900 -8.33700 1.000 C5 C 0.89000 -0.85800 -7.34300 1.000 C6 C 0.90700 -2.23100 -7.09600 1.000 C7 C 0.09500 -3.08400 -7.84300 1.000 C8 C 1.77200 -2.77300 -6.06000 1.000 O9 O 2.80800 -2.17200 -5.72500 1.000 N10 N 1.36900 -3.97100 -5.45800 1.000 C11 C 2.10800 -4.62100 -4.39900 1.000 C12 C 3.14000 -5.61300 -4.92900 1.000 C13 C 2.53600 -6.75700 -5.74000 1.000 N14 N 3.55000 -7.67400 -6.25900 1.000 C15 C 4.26300 -8.33800 -5.16200 1.000 C16 C 5.32500 -9.30100 -5.70400 1.000 N17 N 4.72100 -10.29500 -6.60000 1.000 C18 C 4.00700 -9.63000 -7.69700 1.000 C19 C 2.94500 -8.66800 -7.15300 1.000 C20 C 5.73600 -11.20900 -7.12000 1.000 C21 C 6.39700 -12.03700 -6.02000 1.000 C22 C 5.41700 -12.88900 -5.21600 1.000 N23 N 6.07000 -13.67400 -4.20500 1.000 N24 N 0.04400 1.03400 -8.58500 1.000 C25 C -0.71700 1.73600 -9.53500 1.000 O26 O -1.51700 1.25600 -10.33100 1.000 C27 C -1.66400 -4.73000 -11.58800 1.000 O28 O -1.91100 -3.52400 -12.30400 1.000 C29 C -2.98300 -5.41800 -11.23600 1.000 O30 O -3.63600 -5.82200 -12.43600 1.000 C31 C -2.72400 -6.63500 -10.34500 1.000 O32 O -2.02000 -7.63200 -11.09100 1.000 C33 C -1.87600 -6.23400 -9.13100 1.000 C34 C -1.48600 -7.43300 -8.27300 1.000 O35 O -0.70100 -6.97500 -7.18700 1.000 O36 O -0.65800 -5.59800 -9.55000 1.000 S37 S -1.49000 5.17500 -11.11300 1.000 C38 C -0.43000 3.22800 -9.47100 1.000 C39 C -1.62000 4.08300 -9.81800 1.000 C40 C -2.83700 4.09900 -9.20900 1.000 C41 C -3.70800 5.04400 -9.82300 1.000 C42 C -3.10200 5.70000 -10.87200 1.000 H43 H 0.11400 -4.00800 -10.59100 1.000 H44 H -1.40100 -0.79100 -9.86000 1.000 H45 H 1.52300 -0.19300 -6.76000 1.000 H46 H 0.10400 -4.15500 -7.65500 1.000 H47 H 0.48300 -4.38600 -5.72500 1.000 H48 H 2.60800 -3.83100 -3.83000 1.000 H49 H 1.38500 -5.10800 -3.73800 1.000 H50 H 3.86400 -5.08200 -5.55900 1.000 H51 H 3.69600 -6.02600 -4.07800 1.000 H52 H 1.83000 -7.34300 -5.14400 1.000 H53 H 1.99700 -6.35700 -6.60500 1.000 H54 H 3.56100 -8.88500 -4.51600 1.000 H55 H 4.76100 -7.58600 -4.53800 1.000 H56 H 6.10800 -8.73300 -6.22500 1.000 H57 H 5.80000 -9.81000 -4.85700 1.000 H58 H 3.50900 -10.38300 -8.32000 1.000 H59 H 4.70800 -9.08300 -8.34300 1.000 H60 H 2.47000 -8.15900 -8.00100 1.000 H61 H 2.16200 -9.23600 -6.63100 1.000 H62 H 6.47100 -10.61500 -7.67200 1.000 H63 H 5.23200 -11.87000 -7.83200 1.000 H64 H 6.92800 -11.35800 -5.34300 1.000 H65 H 7.14900 -12.69900 -6.46800 1.000 H66 H 4.90200 -13.59000 -5.87900 1.000 H67 H 4.66000 -12.27100 -4.72300 1.000 H68 H 6.13600 -13.31200 -3.26600 1.000 H69 H 6.62500 -14.46900 -4.48100 1.000 H70 H 0.66700 1.60300 -8.00000 1.000 H71 H -1.07600 -5.38100 -12.24500 1.000 H72 H -1.17700 -2.92400 -12.09800 1.000 H73 H -3.65500 -4.71300 -10.73200 1.000 H74 H -3.37200 -5.18800 -13.12200 1.000 H75 H -3.67100 -7.08700 -10.03200 1.000 H76 H -1.37000 -7.15900 -11.63100 1.000 H77 H -2.43600 -5.53700 -8.49700 1.000 H78 H -0.90500 -8.14200 -8.86300 1.000 H79 H -2.38100 -7.92300 -7.88800 1.000 H80 H -0.43800 -6.06100 -7.39100 1.000 H81 H 0.39900 3.45500 -10.15400 1.000 H82 H -0.08100 3.47800 -8.46100 1.000 H83 H -3.10900 3.47400 -8.36700 1.000 H84 H -4.72600 5.23300 -9.51000 1.000 H85 H -3.53000 6.46300 -11.50700 1.000