# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JZZ' 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 2.17200 0.51000 0.16500 1.000 C1 C 2.26900 1.33100 -0.93700 1.000 O2 O 2.27400 0.92100 -2.22900 1.000 N3 N 2.35200 2.56200 -0.53200 1.000 N4 N 2.31100 2.56400 0.86900 1.000 C5 C 2.20000 1.28100 1.27000 1.000 O6 O 2.13600 0.89000 2.42200 1.000 C7 C 2.37800 3.74200 1.73700 1.000 C8 C 2.38300 1.93500 -3.23100 1.000 C9 C -4.67800 2.34800 0.00400 1.000 C10 C -1.69400 -2.76300 0.00600 1.000 C11 C -0.56900 -3.52400 0.02600 1.000 C12 C 0.69600 -2.90900 0.07100 1.000 C13 C 1.87200 -3.67600 0.09100 1.000 C14 C 3.08600 -3.06100 0.13500 1.000 C15 C -5.82100 0.55200 -1.30500 1.000 C16 C -5.03500 0.86000 -0.02900 1.000 C17 C -3.80100 0.05900 -0.00800 1.000 C18 C -2.81600 -0.58000 0.00900 1.000 C19 C -1.61500 -1.36000 0.03000 1.000 C20 C -0.38500 -0.72500 0.07400 1.000 C21 C 0.78700 -1.49400 0.09500 1.000 C22 C 2.05900 -0.88400 0.14000 1.000 C23 C 3.18800 -1.67300 0.15900 1.000 C24 C -5.88900 0.51400 1.19200 1.000 H25 H 2.46600 4.64000 1.12600 1.000 H26 H 1.47200 3.80000 2.34100 1.000 H27 H 3.24600 3.66200 2.39200 1.000 H28 H 1.54100 2.62200 -3.14500 1.000 H29 H 3.31500 2.48300 -3.09300 1.000 H30 H 2.37500 1.47300 -4.21800 1.000 H31 H -5.59200 2.94100 -0.01200 1.000 H32 H -4.11800 2.56800 0.91300 1.000 H33 H -4.07000 2.59500 -0.86700 1.000 H34 H -2.66100 -3.24300 -0.03300 1.000 H35 H -0.64600 -4.60100 0.00700 1.000 H36 H 1.81300 -4.75500 0.07300 1.000 H37 H 3.98500 -3.66000 0.15100 1.000 H38 H -5.21300 0.79900 -2.17500 1.000 H39 H -6.07600 -0.50700 -1.32800 1.000 H40 H -6.73500 1.14600 -1.32100 1.000 H41 H -0.32800 0.35300 0.09300 1.000 H42 H 4.16300 -1.21000 0.19400 1.000 H43 H -6.80300 1.10800 1.17700 1.000 H44 H -6.14300 -0.54500 1.16900 1.000 H45 H -5.32900 0.73400 2.10100 1.000