# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JBJ' 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 3.99100 0.56000 -0.66300 1.000 C1 C 5.72700 2.15300 -0.39800 1.000 C2 C 7.18500 3.81000 -0.08300 1.000 C3 C 6.09100 4.50400 0.23800 1.000 C4 C 3.53900 -0.85600 -0.91100 1.000 C5 C 1.12800 -0.54900 -0.32900 1.000 C6 C -0.19300 -0.67600 -0.97300 1.000 C7 C -1.48900 -0.46300 -0.50400 1.000 C8 C -2.57200 -0.66600 -1.35200 1.000 C9 C -3.95300 -0.44000 -0.85900 1.000 C10 C -5.04000 -0.64400 -1.70800 1.000 C11 C -6.32200 -0.43300 -1.24700 1.000 C12 C -6.53100 -0.01800 0.06300 1.000 C13 C -7.82400 0.62800 1.93100 1.000 C14 C -9.26500 0.77400 2.42400 1.000 C15 C -9.97900 1.31400 0.17500 1.000 C16 C -8.53800 1.16800 -0.31800 1.000 C17 C -5.44900 0.18500 0.91100 1.000 C18 C -4.16600 -0.03000 0.45600 1.000 C19 C -2.36100 -1.08200 -2.66700 1.000 C20 C -1.07500 -1.29300 -3.12900 1.000 C21 C 0.00100 -1.09300 -2.29300 1.000 C22 C 1.49100 -1.23000 -2.48100 1.000 C23 C 3.81400 -1.69200 0.31300 1.000 C24 C 4.09300 -1.08000 1.52000 1.000 C25 C 4.34500 -1.84800 2.64400 1.000 C26 C 4.31800 -3.23000 2.56000 1.000 C27 C 4.03900 -3.84400 1.35500 1.000 C28 C 3.78100 -3.07600 0.22900 1.000 F29 F 4.61800 -1.24800 3.82300 1.000 N30 N 5.30100 0.87000 -0.72100 1.000 N31 N 6.95900 2.55400 -0.42100 1.000 N32 N 2.10300 -0.86800 -1.19800 1.000 N33 N -7.83000 0.19500 0.52600 1.000 N34 N -9.97300 1.74700 1.58000 1.000 O35 O 3.17400 1.42200 -0.41700 1.000 O36 O 1.31000 -0.20000 0.82100 1.000 O37 O 3.50100 -3.68000 -0.95700 1.000 S38 S 4.70000 3.43400 0.08000 1.000 H39 H 8.17500 4.24200 -0.07000 1.000 H40 H 6.06400 5.54000 0.54100 1.000 H41 H 4.08300 -1.26700 -1.76100 1.000 H42 H -1.65100 -0.14100 0.51500 1.000 H43 H -4.87700 -0.96600 -2.72600 1.000 H44 H -7.16400 -0.59100 -1.90500 1.000 H45 H -7.31200 1.58700 2.01400 1.000 H46 H -7.30500 -0.11500 2.53800 1.000 H47 H -9.76900 -0.19100 2.36700 1.000 H48 H -9.26300 1.12200 3.45700 1.000 H49 H -10.49800 2.05700 -0.43100 1.000 H50 H -10.49100 0.35500 0.09200 1.000 H51 H -8.54000 0.82000 -1.35000 1.000 H52 H -8.03500 2.13300 -0.26100 1.000 H53 H -5.61400 0.50800 1.92900 1.000 H54 H -3.32500 0.12400 1.11700 1.000 H55 H -3.20300 -1.24000 -3.32400 1.000 H56 H -0.91400 -1.61500 -4.14700 1.000 H57 H 1.74300 -2.25900 -2.73900 1.000 H58 H 1.83400 -0.55400 -3.26500 1.000 H59 H 4.11500 -0.00200 1.58600 1.000 H60 H 4.51400 -3.82700 3.43800 1.000 H61 H 4.01800 -4.92200 1.29000 1.000 H62 H 5.94700 0.19700 -0.98800 1.000 H63 H -9.56900 2.66700 1.67300 1.000 H64 H 4.28500 -3.93200 -1.46400 1.000