# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J3N' 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 5.29700 0.87200 -0.77200 1.000 C1 C 7.66600 0.95400 -1.50300 1.000 C2 C -4.90100 1.92900 -0.46800 1.000 C3 C -2.62600 1.76300 -0.82700 1.000 C4 C -6.28400 0.51100 0.69600 1.000 C5 C -7.00700 1.53100 0.20700 1.000 N6 N -1.21500 -3.87100 -0.41000 1.000 C7 C 0.07700 -4.00900 -0.17400 1.000 O8 O 5.09400 0.42600 -1.88200 1.000 C9 C 0.37200 -1.75300 0.17100 1.000 C10 C 2.90100 0.68400 -0.30800 1.000 C11 C 6.69700 1.24200 -0.35400 1.000 C12 C -3.70200 0.04300 0.46800 1.000 C13 C -4.89900 0.73400 0.27800 1.000 C14 C -1.00100 -1.55700 -0.07300 1.000 C15 C -1.79600 -2.67500 -0.37100 1.000 C16 C -1.24300 -0.12100 0.06200 1.000 C17 C -2.54500 0.56900 -0.10500 1.000 C18 C 2.31500 -0.26700 0.74000 1.000 C19 C 2.42400 0.37700 2.12500 1.000 C20 C 3.89700 0.61900 2.46200 1.000 C21 C 4.50100 1.58000 1.43200 1.000 N22 N 0.86100 -2.99200 0.10900 1.000 N23 N 0.90700 -0.52700 0.43200 1.000 N24 N -0.09700 0.44400 0.35900 1.000 N25 N -3.14800 -2.53600 -0.61900 1.000 N26 N 4.27100 1.04000 0.08500 1.000 N27 N -3.76900 2.39300 -0.98400 1.000 N28 N -6.19600 2.38800 -0.48700 1.000 H29 H 8.67800 1.22200 -1.20000 1.000 H30 H 7.62900 -0.10700 -1.75200 1.000 H31 H 7.38000 1.54200 -2.37500 1.000 H32 H -1.73000 2.17800 -1.26500 1.000 H33 H -6.65300 -0.31500 1.28600 1.000 H34 H -8.07100 1.65700 0.34300 1.000 H35 H 0.50800 -4.99900 -0.21600 1.000 H36 H 2.91600 0.19100 -1.28000 1.000 H37 H 2.29100 1.58600 -0.36500 1.000 H38 H 6.73300 2.30200 -0.10500 1.000 H39 H 6.98300 0.65400 0.51800 1.000 H40 H -3.67400 -0.87700 1.03200 1.000 H41 H 2.86900 -1.20500 0.73000 1.000 H42 H 1.89000 1.32700 2.12600 1.000 H43 H 1.98600 -0.28700 2.86900 1.000 H44 H 3.97600 1.05600 3.45700 1.000 H45 H 4.43700 -0.32700 2.43600 1.000 H46 H 4.02300 2.55600 1.51900 1.000 H47 H 5.57200 1.68100 1.61000 1.000 H48 H -3.72800 -3.31300 -0.59200 1.000 H49 H -3.51700 -1.66200 -0.82100 1.000 H50 H -6.49300 3.19900 -0.92800 1.000