# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JN7' 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 -3.12700 0.73700 -0.05200 1.000 C1 C -4.09800 -0.06000 -0.92600 1.000 N2 N -3.88400 -1.49500 -0.68600 1.000 C3 C -2.58500 -2.07100 -1.07000 1.000 C4 C -1.50200 -1.11000 -0.61300 1.000 C5 C -1.73800 0.12900 -0.16700 1.000 S6 S 0.21600 -1.46600 -0.59700 1.000 C7 C 0.61200 0.07400 0.01100 1.000 C8 C -0.51600 0.82600 0.19500 1.000 C9 C -4.84600 -2.25800 -0.13200 1.000 O10 O -5.91100 -1.76300 0.17800 1.000 O11 O -4.62700 -3.57100 0.07800 1.000 C12 C -5.63800 -4.28200 0.64000 1.000 C13 C -5.48700 -5.56900 0.87200 1.000 C14 C -0.49400 2.19800 0.70600 1.000 N15 N 1.90000 0.50700 0.28300 1.000 C16 C 2.94700 -0.31400 0.06600 1.000 C17 C 4.34800 0.15700 0.36200 1.000 C18 C 5.32600 -0.94200 0.03600 1.000 S19 S 5.86900 -2.18200 1.15800 1.000 C20 C 6.89200 -2.89800 -0.08100 1.000 C21 C 6.77600 -2.20200 -1.21300 1.000 C22 C 5.90900 -1.12600 -1.15000 1.000 O23 O 2.76100 -1.43100 -0.36700 1.000 O24 O -0.39100 3.23500 -0.14900 1.000 O25 O -0.56800 2.40200 1.90300 1.000 C26 C -0.37500 4.56700 0.42800 1.000 C27 C 0.43700 5.52000 -0.46700 1.000 C28 C -0.53200 6.63200 -0.91900 1.000 C29 C -1.63600 6.63900 0.16800 1.000 C30 C -1.80900 5.13300 0.49000 1.000 H31 H -3.10000 1.77300 -0.38800 1.000 H32 H -3.45700 0.69900 0.98700 1.000 H33 H -5.12300 0.20500 -0.66800 1.000 H34 H -3.91400 0.16700 -1.97600 1.000 H35 H -2.45100 -3.03700 -0.58400 1.000 H36 H -2.54100 -2.19300 -2.15200 1.000 H37 H -6.56500 -3.79200 0.89700 1.000 H38 H -4.56000 -6.05900 0.61500 1.000 H39 H -6.29100 -6.13500 1.31900 1.000 H40 H 2.04900 1.40100 0.62900 1.000 H41 H 4.57200 1.03500 -0.24400 1.000 H42 H 4.42900 0.41400 1.41800 1.000 H43 H 7.51800 -3.76800 0.05500 1.000 H44 H 7.31600 -2.46200 -2.11200 1.000 H45 H 5.72200 -0.48000 -1.99500 1.000 H46 H 0.05700 4.53500 1.42800 1.000 H47 H 1.26300 5.95100 0.09900 1.000 H48 H 0.81900 4.98200 -1.33500 1.000 H49 H -0.02000 7.59500 -0.94900 1.000 H50 H -0.95800 6.39500 -1.89300 1.000 H51 H -1.30600 7.18700 1.05100 1.000 H52 H -2.56100 7.06200 -0.22400 1.000 H53 H -2.44100 4.65400 -0.25700 1.000 H54 H -2.22800 5.00200 1.48800 1.000