# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J9V' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -0.06000 -1.57400 -1.38500 1.000 C1 C 0.72000 -0.74100 -0.46600 1.000 C2 C 2.70900 -2.70500 1.47600 1.000 C3 C 4.54600 -0.70200 -0.46400 1.000 C4 C 4.96500 0.73400 -0.27800 1.000 C5 C 5.51400 1.23700 0.82800 1.000 C6 C 5.51400 3.17900 -0.38900 1.000 C7 C 0.29000 1.44400 0.68600 1.000 O8 O -7.24700 2.38400 0.95600 1.000 C9 C -6.40900 1.62600 0.49900 1.000 N10 N -5.42600 1.17500 1.29800 1.000 C11 C -4.46000 0.31700 0.81900 1.000 C12 C -4.50100 -0.09600 -0.52600 1.000 C13 C -5.57500 0.40000 -1.38800 1.000 C14 C -6.49800 1.23800 -0.85500 1.000 C15 C -3.52200 -0.96600 -1.01800 1.000 C16 C -2.53300 -1.41100 -0.18800 1.000 S17 S -1.30000 -2.50700 -0.80700 1.000 O18 O -1.87100 -3.15800 -1.93400 1.000 C19 C 2.15400 -0.69200 -0.92700 1.000 N20 N 3.15400 -0.86300 -0.03900 1.000 C21 C 2.84800 -1.21000 1.35100 1.000 O22 O 2.32700 -3.24800 2.64300 1.000 O23 O 2.94100 -3.41500 0.52700 1.000 C24 C 5.81700 2.58700 0.76700 1.000 S25 S 4.81200 2.00000 -1.48900 1.000 O26 O 2.40900 -0.49900 -2.09700 1.000 C27 C 0.15100 0.65400 -0.44500 1.000 O28 O 0.94500 0.96300 1.77600 1.000 C29 C 1.15800 1.87200 2.85800 1.000 C30 C -0.23500 2.72800 0.70100 1.000 C31 C -0.89500 3.21700 -0.41000 1.000 C32 C -1.03200 2.42700 -1.53600 1.000 C33 C -0.51000 1.14700 -1.55400 1.000 O34 O -0.78500 -3.20800 0.31700 1.000 C35 C -2.48900 -1.00600 1.14000 1.000 C36 C -3.44300 -0.14900 1.64600 1.000 H37 H 0.14700 -1.57600 -2.33200 1.000 H38 H 0.67500 -1.16700 0.53700 1.000 H39 H 4.63900 -0.97400 -1.51500 1.000 H40 H 5.18700 -1.34800 0.13700 1.000 H41 H 5.70800 0.63800 1.70600 1.000 H42 H 5.67800 4.22200 -0.61600 1.000 H43 H -5.39700 1.45800 2.22600 1.000 H44 H -5.63300 0.10200 -2.42500 1.000 H45 H -7.30300 1.61400 -1.47000 1.000 H46 H -3.54900 -1.28500 -2.04900 1.000 H47 H 1.91400 -0.73200 1.64700 1.000 H48 H 3.65400 -0.86400 1.99800 1.000 H49 H 2.25200 -4.21200 2.67500 1.000 H50 H 6.26100 3.12100 1.59400 1.000 H51 H 1.67600 2.75800 2.49100 1.000 H52 H 0.19700 2.16300 3.28200 1.000 H53 H 1.76300 1.38800 3.62500 1.000 H54 H -0.12800 3.34500 1.58100 1.000 H55 H -1.30300 4.21600 -0.39800 1.000 H56 H -1.54900 2.81000 -2.40400 1.000 H57 H -0.61900 0.53200 -2.43500 1.000 H58 H -1.70000 -1.36700 1.78300 1.000 H59 H -3.40000 0.16000 2.68000 1.000