# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J1C' 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 -3.69100 0.19300 1.01800 1.000 N1 N -7.08700 0.50600 -0.12900 1.000 O2 O -4.71200 0.25700 0.00700 1.000 S3 S -1.90500 -0.90600 -0.73800 1.000 C4 C -4.40200 0.12300 2.38300 1.000 N5 N -8.44900 -0.57000 -1.45200 1.000 O6 O -4.01800 1.22600 3.20500 1.000 C7 C -5.90800 0.20700 2.03200 1.000 N8 N -11.32300 0.36400 -2.01600 1.000 O9 O -6.60100 1.04500 2.95800 1.000 C10 C -5.87600 0.85000 0.62100 1.000 N11 N -10.77200 2.12900 -0.55200 1.000 O12 O 5.82700 -2.51900 1.41100 1.000 C13 C -7.25000 -0.57300 -0.94700 1.000 N14 N -8.70100 2.31500 0.45800 1.000 O15 O 5.62300 2.74700 -1.69100 1.000 C16 C -9.13100 0.50600 -0.99000 1.000 N17 N 1.57500 -3.80900 -1.03800 1.000 C18 C -10.42700 1.01300 -1.18500 1.000 C19 C -9.92500 2.75100 0.24800 1.000 N20 N 9.29700 2.41500 -0.23500 1.000 C21 C -8.26600 1.20800 -0.13400 1.000 N22 N 9.78800 4.54000 -1.01000 1.000 C23 C -2.83400 -1.05800 0.81200 1.000 N24 N 7.64800 3.63800 -1.36800 1.000 C25 C -0.96600 -2.45600 -0.80400 1.000 N26 N 6.29900 0.44700 -0.35300 1.000 C27 C -0.21100 -2.54100 -2.13400 1.000 N28 N 8.87000 0.23700 0.57600 1.000 C29 C 0.62700 -3.82200 -2.15900 1.000 C30 C 0.87300 -3.77600 0.25100 1.000 C31 C 0.04200 -2.49400 0.34800 1.000 C32 C 2.51400 -2.68600 -1.15500 1.000 C33 C 5.63800 -1.65300 0.57700 1.000 C34 C 8.90500 3.50800 -0.86300 1.000 C35 C 6.74700 2.64100 -1.23200 1.000 C36 C 6.57400 -0.53300 0.46100 1.000 C37 C 7.83700 -0.53700 1.28300 1.000 C38 C 8.31800 -1.97600 1.47700 1.000 C39 C 7.56200 0.10200 2.64700 1.000 C40 C 8.47000 1.39100 -0.06200 1.000 C41 C 7.14300 1.46900 -0.53900 1.000 C42 C 3.63100 -2.84500 -0.12100 1.000 N43 N 4.56800 -1.72400 -0.23800 1.000 H44 H -3.06600 1.08500 0.97100 1.000 H45 H -4.17800 -0.82000 2.88200 1.000 H46 H -4.43600 1.23200 4.07700 1.000 H47 H -6.35600 -0.78600 1.99700 1.000 H48 H -12.21500 0.72400 -2.14200 1.000 H49 H -11.05900 -0.45000 -2.47300 1.000 H50 H -6.57100 0.73000 3.87200 1.000 H51 H -5.76400 1.93200 0.69200 1.000 H52 H -6.49500 -1.31900 -1.14500 1.000 H53 H -10.24600 3.65600 0.74300 1.000 H54 H 10.68800 4.46300 -0.65600 1.000 H55 H 9.51600 5.35000 -1.46900 1.000 H56 H -2.13800 -1.16100 1.64400 1.000 H57 H -3.47800 -1.93600 0.76500 1.000 H58 H 7.39800 4.45300 -1.83000 1.000 H59 H -1.65000 -3.30000 -0.71900 1.000 H60 H -0.92600 -2.55800 -2.95700 1.000 H61 H 0.44300 -1.67600 -2.23700 1.000 H62 H 9.79500 -0.05300 0.55900 1.000 H63 H 1.17600 -3.87800 -3.09900 1.000 H64 H -0.03000 -4.68700 -2.07000 1.000 H65 H 0.21500 -4.64100 0.32900 1.000 H66 H 1.60000 -3.79900 1.06200 1.000 H67 H 0.70000 -1.62800 0.28400 1.000 H68 H -0.49200 -2.47700 1.29800 1.000 H69 H 2.94500 -2.67500 -2.15600 1.000 H70 H 1.98500 -1.75000 -0.97700 1.000 H71 H 9.31900 -1.97000 1.91000 1.000 H72 H 7.63600 -2.50000 2.14600 1.000 H73 H 8.34300 -2.48400 0.51300 1.000 H74 H 7.21500 1.12500 2.50500 1.000 H75 H 6.79800 -0.47200 3.16900 1.000 H76 H 8.47900 0.10700 3.23700 1.000 H77 H 3.20000 -2.85500 0.88000 1.000 H78 H 4.16000 -3.78100 -0.29900 1.000 H79 H 4.41700 -1.03300 -0.90200 1.000