# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JB2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -7.39900 -3.65300 1.86500 1.000 C1 C -7.12300 -2.90500 0.94200 1.000 C2 C -6.06300 -1.97500 1.05500 1.000 N3 N -5.17800 -1.66800 2.03400 1.000 C4 C -4.39300 -0.71500 1.62100 1.000 N5 N -7.81900 -2.94800 -0.21600 1.000 C6 C -7.50100 -2.10800 -1.24100 1.000 N7 N -8.22500 -2.17500 -2.40500 1.000 N8 N -6.52300 -1.23600 -1.14700 1.000 C9 C -5.78700 -1.14000 -0.03300 1.000 N10 N -4.73200 -0.35600 0.34800 1.000 C11 C -4.08400 0.67900 -0.46100 1.000 O12 O -2.73300 0.90400 -0.00300 1.000 C13 C -4.79700 2.03600 -0.26800 1.000 O14 O -5.71300 2.27800 -1.33900 1.000 C15 C -3.64900 3.07000 -0.28900 1.000 O16 O -3.81800 3.98300 -1.37600 1.000 C17 C -2.37900 2.21600 -0.49300 1.000 C18 C -1.21500 2.79000 0.31800 1.000 O19 O -0.02300 2.05700 0.02600 1.000 P20 P 1.39900 2.39000 0.70300 1.000 O21 O 1.73500 3.81300 0.47100 1.000 O22 O 1.31800 2.10900 2.28600 1.000 O23 O 2.53600 1.45700 0.04900 1.000 P24 P 4.14600 1.49200 0.04500 1.000 O25 O 4.65500 2.65200 -0.94800 1.000 O26 O 4.63600 1.76300 1.41500 1.000 O27 O 4.71200 0.07000 -0.45600 1.000 C28 C 6.10400 -0.25100 -0.47100 1.000 O29 O 6.47100 -0.83900 0.77900 1.000 C30 C 5.74700 -2.02900 1.09900 1.000 C31 C 6.20100 -2.55100 2.46400 1.000 C32 C 6.38700 -1.24300 -1.60200 1.000 O33 O 7.78700 -1.52400 -1.65200 1.000 C34 C 5.61400 -2.53900 -1.34000 1.000 O35 O 5.92900 -3.49700 -2.35200 1.000 C36 C 6.01500 -3.09200 0.03100 1.000 N37 N 5.22500 -4.29400 0.32600 1.000 H38 H -3.59400 -0.27500 2.19800 1.000 H39 H -8.54700 -3.58100 -0.31800 1.000 H40 H -8.95000 -2.81300 -2.49000 1.000 H41 H -8.01100 -1.58300 -3.14400 1.000 H42 H -4.08600 0.39400 -1.51300 1.000 H43 H -5.31700 2.06200 0.69000 1.000 H44 H -6.18800 3.11700 -1.26800 1.000 H45 H -3.60100 3.60700 0.65800 1.000 H46 H -4.63200 4.50300 -1.33000 1.000 H47 H -2.11900 2.16800 -1.55000 1.000 H48 H -1.07100 3.83800 0.05400 1.000 H49 H -1.43900 2.71100 1.38100 1.000 H50 H 1.10200 1.19400 2.51300 1.000 H51 H 4.37000 2.53900 -1.86500 1.000 H52 H 6.68500 0.65700 -0.63000 1.000 H53 H 4.68000 -1.80600 1.13200 1.000 H54 H 6.01000 -1.79300 3.22400 1.000 H55 H 5.64800 -3.45800 2.70800 1.000 H56 H 7.26700 -2.77300 2.43100 1.000 H57 H 6.06800 -0.81300 -2.55200 1.000 H58 H 8.33900 -0.74600 -1.81100 1.000 H59 H 4.54300 -2.33300 -1.35100 1.000 H60 H 5.70700 -3.20900 -3.24900 1.000 H61 H 7.07500 -3.34300 0.02600 1.000 H62 H 5.47200 -4.67700 1.22600 1.000 H63 H 4.23600 -4.09900 0.27500 1.000