# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JAJ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 0.22000 0.79100 0.79400 1.000 C1 C -0.05600 -0.49400 0.14700 1.000 C2 C -1.22400 0.72100 -1.70900 1.000 C3 C -2.64200 2.57400 -1.25400 1.000 C4 C -4.60400 5.29200 0.59800 1.000 C5 C -0.85000 0.14200 -4.00500 1.000 C6 C 0.29000 -1.05100 -2.26800 1.000 O7 O 8.34400 0.47500 -1.79000 1.000 C8 C 7.28500 0.73900 -1.24800 1.000 N9 N 6.56100 -0.25500 -0.70600 1.000 C10 C 5.35700 0.00200 -0.08400 1.000 C11 C 4.87800 1.32400 -0.01500 1.000 C12 C 5.67500 2.39900 -0.60900 1.000 C13 C 6.85200 2.08200 -1.20100 1.000 C14 C 3.65700 1.59000 0.61300 1.000 C15 C 2.93800 0.56400 1.15800 1.000 S16 S 1.40000 0.90000 1.95000 1.000 O17 O 1.44500 2.26200 2.35100 1.000 C18 C -0.33600 -0.27000 -1.31600 1.000 O19 O -1.83700 1.49500 -0.77500 1.000 C20 C -3.14600 3.39900 -0.06800 1.000 C21 C -4.10700 4.47900 -0.57000 1.000 O22 O -5.46400 6.30200 0.39500 1.000 O23 O -4.22800 5.03300 1.71700 1.000 C24 C -1.47900 0.92600 -3.05800 1.000 C25 C 0.03400 -0.84600 -3.61100 1.000 C26 C -1.25500 -1.13600 0.79600 1.000 N27 N -1.40500 -2.47500 0.75900 1.000 C28 C -0.35100 -3.31500 0.18500 1.000 C29 C 0.55900 -3.80000 1.28300 1.000 O30 O 1.60400 -4.59000 0.99000 1.000 O31 O 0.34900 -3.47700 2.42900 1.000 C32 C -2.62300 -3.09100 1.29300 1.000 C33 C -3.65300 -3.19800 0.19800 1.000 C34 C -3.79600 -4.23800 -0.62400 1.000 C35 C -4.81400 -4.11200 -1.55300 1.000 C36 C -5.49800 -2.96900 -1.48500 1.000 S37 S -4.85600 -1.97300 -0.18500 1.000 O38 O -2.08500 -0.44800 1.35100 1.000 O39 O 1.17400 -0.17100 2.85700 1.000 C40 C 3.40800 -0.74100 1.09200 1.000 C41 C 4.60700 -1.02600 0.47700 1.000 H42 H -0.28700 1.57900 0.54300 1.000 H43 H 0.80900 -1.14800 0.25500 1.000 H44 H -2.04600 3.20800 -1.91100 1.000 H45 H -3.49200 2.17600 -1.80700 1.000 H46 H -1.04900 0.30000 -5.05500 1.000 H47 H 0.98100 -1.82300 -1.96300 1.000 H48 H 6.88900 -1.16600 -0.75200 1.000 H49 H 5.33400 3.42300 -0.57200 1.000 H50 H 7.45900 2.85900 -1.64200 1.000 H51 H 3.28500 2.60200 0.66900 1.000 H52 H -3.66700 2.74700 0.63300 1.000 H53 H -2.30000 3.87000 0.43300 1.000 H54 H -4.95300 4.00900 -1.07100 1.000 H55 H -3.58600 5.13100 -1.27100 1.000 H56 H -5.75400 6.79500 1.17500 1.000 H57 H -2.17000 1.69700 -3.36600 1.000 H58 H 0.52400 -1.45800 -4.35300 1.000 H59 H -0.80200 -4.17100 -0.31800 1.000 H60 H 0.22600 -2.73300 -0.53500 1.000 H61 H 2.15900 -4.87600 1.72800 1.000 H62 H -2.39000 -4.08600 1.67100 1.000 H63 H -3.01600 -2.47600 2.10300 1.000 H64 H -3.16500 -5.11300 -0.57000 1.000 H65 H -5.03800 -4.88000 -2.27900 1.000 H66 H -6.32300 -2.69700 -2.12800 1.000 H67 H 2.82700 -1.54100 1.52700 1.000 H68 H 4.96400 -2.04500 0.43100 1.000