# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JNI' 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 5.00900 2.20400 -1.74200 1.000 C1 C 5.46700 2.59300 0.48400 1.000 C2 C 4.59300 1.58300 0.83500 1.000 C3 C 3.92300 0.89900 -0.18200 1.000 C4 C 2.99800 -3.28400 -0.42200 1.000 C5 C 3.73400 -4.43200 -0.64200 1.000 C6 C 4.20500 -2.17500 -2.16800 1.000 C7 C 2.72900 -0.40500 1.45500 1.000 C8 C 3.57500 -1.20500 2.21100 1.000 C9 C 3.27100 -1.47900 3.53000 1.000 C10 C 2.12400 -0.96000 4.10600 1.000 C11 C 1.56900 0.12200 2.03600 1.000 C12 C 1.14700 2.12800 0.61700 1.000 C13 C 0.30000 2.92600 -0.12700 1.000 C14 C -0.68300 0.63500 1.10400 1.000 C15 C -5.55300 0.44000 -0.05000 1.000 C16 C -3.48100 -0.06000 0.82000 1.000 C17 C -7.19400 -1.14200 0.52800 1.000 C18 C -8.69300 -1.43500 0.41900 1.000 C19 C -8.76100 -0.29100 -1.71300 1.000 C20 C -7.26300 0.00200 -1.60400 1.000 N21 N 5.22700 2.53000 -3.06900 1.000 N22 N 5.65100 2.87600 -0.79700 1.000 N23 N 4.15900 1.23200 -1.44700 1.000 N24 N 3.03700 -0.12300 0.12300 1.000 C25 C 2.42300 -0.90600 -0.95200 1.000 C26 C 3.23100 -2.15600 -1.18700 1.000 C27 C 4.70500 -4.45300 -1.62600 1.000 C28 C 4.93800 -3.32600 -2.39100 1.000 C29 C 1.27500 -0.16200 3.36700 1.000 C30 C 0.65900 0.97800 1.23700 1.000 C31 C -1.03400 2.59400 -0.25700 1.000 C32 C -1.53300 1.44900 0.36200 1.000 C33 C -2.96600 1.08900 0.21500 1.000 C34 C -3.83400 1.89500 -0.52600 1.000 N35 N -5.10200 1.54100 -0.63300 1.000 N36 N -4.76200 -0.34600 0.66500 1.000 N37 N -6.88800 0.10500 -0.18700 1.000 N38 N -9.06700 -1.53800 -0.99900 1.000 H39 H 5.99500 3.14700 1.24600 1.000 H40 H 4.42600 1.33200 1.87200 1.000 H41 H 2.23700 -3.26800 0.34400 1.000 H42 H 3.55200 -5.31300 -0.04400 1.000 H43 H 4.38700 -1.29500 -2.76600 1.000 H44 H 4.47000 -1.61400 1.76700 1.000 H45 H 3.93100 -2.10200 4.11500 1.000 H46 H 1.89400 -1.17900 5.13800 1.000 H47 H 2.18900 2.39200 0.71500 1.000 H48 H 0.68300 3.81300 -0.61000 1.000 H49 H -1.06600 -0.25300 1.58600 1.000 H50 H -2.84200 -0.70600 1.40300 1.000 H51 H -6.92000 -1.03700 1.57700 1.000 H52 H -6.63000 -1.96300 0.08400 1.000 H53 H -8.91700 -2.37500 0.92300 1.000 H54 H -9.25600 -0.62700 0.88600 1.000 H55 H -9.32500 0.53000 -1.27000 1.000 H56 H -9.03600 -0.39600 -2.76300 1.000 H57 H -6.70000 -0.80500 -2.07100 1.000 H58 H -7.03800 0.94200 -2.10900 1.000 H59 H 5.84400 3.24200 -3.29800 1.000 H60 H 4.76400 2.04500 -3.77000 1.000 H61 H 1.40600 -1.17800 -0.66900 1.000 H62 H 2.39900 -0.31200 -1.86600 1.000 H63 H 5.27800 -5.35200 -1.80100 1.000 H64 H 5.69600 -3.34200 -3.16000 1.000 H65 H 0.38100 0.24100 3.82000 1.000 H66 H -1.69100 3.22100 -0.84000 1.000 H67 H -3.47300 2.79400 -1.00300 1.000 H68 H -8.61300 -2.32600 -1.43600 1.000