# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JN3' 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 1.27100 -6.28100 2.61500 1.000 C1 C 1.81000 -5.73500 3.93000 1.000 C2 C 0.67100 -5.27900 4.83100 1.000 O3 O 1.20400 -4.69800 6.01700 1.000 C4 C -0.19900 -4.24100 4.12900 1.000 C5 C -0.74400 -4.74700 2.77600 1.000 C6 C -1.63200 -3.68200 2.10100 1.000 C7 C -0.86400 -2.52700 1.45300 1.000 O8 O -0.35300 -1.65400 2.45500 1.000 C9 C 0.27500 -3.01800 0.53800 1.000 C10 C 1.20200 -4.05400 1.26000 1.000 C11 C 0.38100 -5.27600 1.82500 1.000 C12 C 2.41400 -4.46400 0.37800 1.000 C13 C 3.17200 -3.27300 -0.23300 1.000 C14 C 2.22800 -2.32400 -0.98000 1.000 C15 C 1.14400 -1.86300 0.01800 1.000 C16 C 0.46700 -0.69900 -0.70100 1.000 C17 C 1.60800 -0.02500 -1.48400 1.000 C18 C 2.84100 -0.94600 -1.33300 1.000 C19 C 1.67200 -3.02600 -2.24400 1.000 C20 C -0.26400 -6.09700 0.67700 1.000 C21 C 3.76600 -0.90000 -2.54100 1.000 C22 C 4.93100 -1.87600 -2.34800 1.000 C23 C 4.25400 0.54300 -2.78200 1.000 C24 C 5.24900 0.67300 -3.93700 1.000 O25 O 3.45000 0.41600 -5.55900 1.000 C26 C 4.62900 0.28400 -5.26100 1.000 O27 O 5.55100 -0.25100 -6.10300 1.000 H28 H 2.10300 -6.64000 2.00000 1.000 H29 H 0.67700 -7.17700 2.84700 1.000 H30 H 2.39200 -6.51200 4.44200 1.000 H31 H 2.51300 -4.91300 3.75500 1.000 H32 H 0.05500 -6.13600 5.12700 1.000 H33 H 1.73600 -3.93600 5.73800 1.000 H34 H 0.38600 -3.32400 4.01400 1.000 H35 H -1.03300 -3.96900 4.78800 1.000 H36 H -1.40400 -5.59400 3.01800 1.000 H37 H -2.23900 -4.17100 1.32900 1.000 H38 H -2.34000 -3.28700 2.84000 1.000 H39 H -1.56900 -1.93500 0.85700 1.000 H40 H 0.17800 -0.98500 1.99500 1.000 H41 H -0.20300 -3.50400 -0.31800 1.000 H42 H 1.64200 -3.52800 2.11800 1.000 H43 H 2.09200 -5.13100 -0.42800 1.000 H44 H 3.13300 -5.03200 0.97800 1.000 H45 H 3.68500 -2.73600 0.57600 1.000 H46 H 3.95800 -3.64400 -0.90200 1.000 H47 H 1.65300 -1.42600 0.89300 1.000 H48 H 0.00000 0.00000 0.00000 1.000 H49 H -0.31200 -1.05000 -1.38700 1.000 H50 H 1.31500 0.10400 -2.53200 1.000 H51 H 1.82500 0.97100 -1.08200 1.000 H52 H 3.42000 -0.58700 -0.47000 1.000 H53 H 0.74900 -3.56600 -2.00900 1.000 H54 H 1.45300 -2.29400 -3.02600 1.000 H55 H 2.39900 -3.74300 -2.63700 1.000 H56 H -1.13600 -6.64900 1.04200 1.000 H57 H -0.59000 -5.43600 -0.13200 1.000 H58 H 0.45200 -6.81500 0.26800 1.000 H59 H 3.19600 -1.22500 -3.42400 1.000 H60 H 4.81900 -2.44500 -1.41800 1.000 H61 H 5.00500 -2.58700 -3.17700 1.000 H62 H 5.88200 -1.33500 -2.30000 1.000 H63 H 3.39400 1.20000 -2.96600 1.000 H64 H 4.72900 0.91100 -1.86300 1.000 H65 H 5.59000 1.71100 -4.01200 1.000 H66 H 6.11100 0.01900 -3.77100 1.000 H67 H 5.20200 -0.52700 -6.97700 1.000