# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JZW' 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 0.00500 -0.90300 -1.50000 1.000 N1 N 2.34100 -1.02900 -0.63600 1.000 O2 O 2.83100 5.63500 0.29100 1.000 S3 S -0.52900 1.53800 -1.01300 1.000 C4 C -0.98700 -0.03800 -1.63700 1.000 N5 N 3.26600 0.89600 0.26700 1.000 O6 O -6.94500 0.67100 1.45400 1.000 S7 S -7.04200 -0.66200 0.97000 1.000 C8 C 1.17600 -0.40100 -0.90700 1.000 N9 N 2.08600 2.92900 0.38900 1.000 O10 O -7.90500 -0.98800 -0.11000 1.000 C11 C 1.06500 0.94900 -0.56600 1.000 N12 N -3.24400 -0.82100 -1.19400 1.000 O13 O 5.57000 -5.41700 0.85600 1.000 C14 C 3.34200 -0.38800 -0.06800 1.000 N15 N -5.52500 -0.99900 0.39600 1.000 C16 C 2.16000 1.59000 0.03800 1.000 C17 C 4.59900 -1.12600 0.20700 1.000 C18 C 3.34200 3.38400 1.00200 1.000 C19 C 3.19500 4.84700 1.42800 1.000 C20 C 1.61200 5.22000 -0.33000 1.000 C21 C 1.74300 3.76000 -0.77400 1.000 C22 C -2.32700 -0.36100 -2.24600 1.000 C23 C -4.47700 -1.36900 -1.77400 1.000 C24 C -5.32400 -2.00000 -0.66300 1.000 C25 C -4.34400 -0.30600 0.93300 1.000 C26 C -3.53600 0.25800 -0.24100 1.000 C27 C -7.27400 -1.82200 2.34400 1.000 C28 C 5.67500 -0.47500 0.80700 1.000 C29 C 6.84300 -1.16600 1.06100 1.000 C30 C 6.94500 -2.50300 0.72100 1.000 C31 C 5.88000 -3.15500 0.12500 1.000 C32 C 4.70700 -2.47500 -0.12800 1.000 C33 C 6.00000 -4.61100 -0.24300 1.000 H34 H -0.08100 -1.93000 -1.82100 1.000 H35 H 5.62000 -6.36800 0.68900 1.000 H36 H 3.56300 2.77100 1.87600 1.000 H37 H 4.15300 3.29400 0.27900 1.000 H38 H 4.14300 5.20500 1.83100 1.000 H39 H 2.42100 4.92800 2.19000 1.000 H40 H 0.79100 5.31200 0.38100 1.000 H41 H 1.41400 5.84700 -1.19900 1.000 H42 H 2.52800 3.67700 -1.52500 1.000 H43 H 0.79600 3.42200 -1.19600 1.000 H44 H -2.73600 0.53100 -2.71900 1.000 H45 H -2.20700 -1.14600 -2.99200 1.000 H46 H -5.04200 -0.56700 -2.25100 1.000 H47 H -4.22600 -2.12700 -2.51500 1.000 H48 H -4.80500 -2.86600 -0.25400 1.000 H49 H -6.28900 -2.30500 -1.06700 1.000 H50 H -4.66100 0.50800 1.58400 1.000 H51 H -3.73000 -1.01000 1.49500 1.000 H52 H -2.60100 0.67900 0.13000 1.000 H53 H -4.11400 1.03700 -0.73900 1.000 H54 H -8.25900 -1.66900 2.78600 1.000 H55 H -7.19800 -2.84500 1.97300 1.000 H56 H -6.50700 -1.65100 3.09900 1.000 H57 H 5.59600 0.57000 1.07200 1.000 H58 H 7.67700 -0.66200 1.52600 1.000 H59 H 7.86100 -3.04000 0.92200 1.000 H60 H 3.87400 -2.98600 -0.58900 1.000 H61 H 7.04000 -4.84200 -0.47700 1.000 H62 H 5.37700 -4.81900 -1.11200 1.000