# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JWN' 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 5.80600 3.19100 -0.42900 1.000 C1 C 6.90100 2.11800 -0.40000 1.000 C2 C 6.48100 -0.28200 -0.68000 1.000 C3 C 5.79200 -1.55500 -0.26300 1.000 C4 C 6.12500 -2.66600 -1.26100 1.000 C5 C 6.27200 -1.96200 1.13200 1.000 C6 C 4.30100 -1.33400 -0.23700 1.000 C7 C 3.76800 -0.16800 -0.75600 1.000 C8 C 2.40400 0.03800 -0.74000 1.000 C9 C 1.56100 -0.93400 -0.19900 1.000 C10 C 0.09900 -0.72000 -0.17900 1.000 C11 C -2.09900 -1.45800 0.36400 1.000 C12 C -2.74700 -0.36200 -0.10600 1.000 C13 C -6.43000 -0.25400 0.14600 1.000 C14 C -8.57000 0.17200 -1.08900 1.000 N15 N 6.29800 0.84800 0.03200 1.000 O16 O 7.20000 -0.27300 -1.65700 1.000 C17 C 5.49000 0.84300 1.26100 1.000 C18 C 4.45200 1.96600 1.16600 1.000 N19 N 5.13300 3.23500 0.87500 1.000 C20 C 4.19500 4.36300 0.94600 1.000 C21 C 3.47100 -2.30200 0.30200 1.000 C22 C 2.10500 -2.10900 0.32400 1.000 O23 O -0.37200 0.30300 -0.63500 1.000 N24 N -0.71200 -1.66100 0.34500 1.000 N25 N -3.00700 -2.31000 0.85400 1.000 C26 C -4.21800 -1.79100 0.70400 1.000 N27 N -4.08600 -0.56300 0.10900 1.000 C28 C -5.50000 -2.27000 1.04500 1.000 C29 C -6.59300 -1.51300 0.77000 1.000 C30 C -5.18300 0.19800 -0.16100 1.000 C31 C -7.61700 0.58400 -0.15300 1.000 C32 C -7.81400 1.80700 0.49500 1.000 C33 C -8.93200 2.55500 0.18800 1.000 N34 N -9.80700 2.12900 -0.70300 1.000 C35 C -9.65600 0.98400 -1.34100 1.000 H36 H 6.25500 4.16200 -0.64000 1.000 H37 H 5.08100 2.94900 -1.20600 1.000 H38 H 7.32600 2.00200 -1.39600 1.000 H39 H 7.68100 2.41100 0.30300 1.000 H40 H 7.20700 -2.76600 -1.34500 1.000 H41 H 5.69900 -3.60700 -0.91300 1.000 H42 H 5.70700 -2.41600 -2.23600 1.000 H43 H 5.95700 -1.21200 1.85700 1.000 H44 H 5.84100 -2.92700 1.39700 1.000 H45 H 7.35900 -2.03600 1.13400 1.000 H46 H 4.42200 0.58300 -1.17500 1.000 H47 H 1.99000 0.94900 -1.14600 1.000 H48 H -2.29300 0.50500 -0.56300 1.000 H49 H -8.45400 -0.76600 -1.61200 1.000 H50 H 4.98400 -0.11700 1.36300 1.000 H51 H 6.13600 1.00900 2.12400 1.000 H52 H 3.74500 1.74100 0.36800 1.000 H53 H 3.91800 2.04800 2.11300 1.000 H54 H 3.44100 4.25800 0.16600 1.000 H55 H 3.71000 4.37200 1.92200 1.000 H56 H 4.73900 5.29700 0.80200 1.000 H57 H 3.89300 -3.21200 0.70100 1.000 H58 H 1.45900 -2.86400 0.74500 1.000 H59 H -0.33700 -2.47700 0.70900 1.000 H60 H -5.61100 -3.23400 1.52100 1.000 H61 H -7.58000 -1.87500 1.01500 1.000 H62 H -5.06400 1.16000 -0.63700 1.000 H63 H -7.10200 2.16100 1.22600 1.000 H64 H -9.09500 3.49800 0.68700 1.000 H65 H -10.39700 0.67400 -2.06300 1.000