# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J2B' 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 5.67700 1.87000 -1.70600 1.000 C1 C 4.95400 0.84400 -0.80500 1.000 C2 C -0.22900 1.01800 0.18300 1.000 C3 C -1.43600 0.74900 -0.71700 1.000 C4 C -5.20600 0.60200 0.05400 1.000 C5 C -6.75600 -1.19200 -0.83300 1.000 C6 C -6.98100 -3.46800 -0.60400 1.000 C7 C -8.50300 -2.40100 -1.97200 1.000 C8 C -7.86700 -1.17900 -1.69200 1.000 C9 C -7.17100 0.86600 -1.50700 1.000 C10 C -3.91800 0.46100 -0.76000 1.000 C11 C -2.72000 0.85200 0.10800 1.000 C12 C 5.59000 -0.51000 -1.19200 1.000 C13 C 4.78700 -2.17600 0.52100 1.000 C14 C 2.78400 -3.37200 0.94400 1.000 C15 C 4.55000 -3.73000 2.40000 1.000 C16 C 5.36400 -2.78600 1.62800 1.000 C17 C 6.85700 -1.48000 0.76300 1.000 C18 C 6.66400 1.01500 -2.53100 1.000 C19 C 7.97800 1.77000 -2.73900 1.000 N20 N -6.33800 0.11100 -0.73500 1.000 N21 N -6.35200 -2.34800 -0.31700 1.000 N22 N -8.03000 -3.50600 -1.40500 1.000 N23 N -9.60300 -2.45100 -2.81100 1.000 N24 N -8.06700 0.10700 -2.06800 1.000 N25 N 5.73900 -1.36000 -0.00800 1.000 N26 N 3.49100 -2.48500 0.19600 1.000 N27 N 1.49200 -3.65300 0.58600 1.000 N28 N 3.29200 -3.97000 1.99900 1.000 N29 N 6.63200 -2.32300 1.73000 1.000 O30 O 4.74400 2.52600 -2.56600 1.000 O31 O 3.55200 0.83600 -1.08000 1.000 O32 O 0.97100 0.92300 -0.58900 1.000 O33 O -5.41400 1.97700 0.38200 1.000 O34 O -3.77200 -0.89300 -1.19100 1.000 O35 O -2.88400 2.19400 0.57000 1.000 O36 O -1.47000 2.18500 2.66100 1.000 O37 O -2.93500 4.20300 2.26600 1.000 O38 O 2.62500 0.23800 1.19000 1.000 O39 O 5.01000 -4.29200 3.38200 1.000 O40 O 6.88500 -0.16800 -1.73200 1.000 O41 O 8.83200 1.01300 -3.60000 1.000 P42 P 2.43600 1.14800 0.03800 1.000 P43 P -2.78300 2.60600 2.12300 1.000 S44 S 2.62700 3.15800 0.68500 1.000 S45 S -4.33200 1.64900 3.21000 1.000 H46 H 6.21700 2.59700 -1.09900 1.000 H47 H 5.13600 1.06400 0.24700 1.000 H48 H -0.30800 2.01900 0.60800 1.000 H49 H -0.20300 0.28300 0.98600 1.000 H50 H -1.46200 1.48500 -1.52100 1.000 H51 H -1.35700 -0.25100 -1.14300 1.000 H52 H -5.12200 0.01800 0.97000 1.000 H53 H -6.62700 -4.39000 -0.16700 1.000 H54 H -7.09700 1.93600 -1.63500 1.000 H55 H -3.96500 1.11600 -1.63000 1.000 H56 H -2.65700 0.17900 0.96400 1.000 H57 H 4.98300 -1.01200 -1.94500 1.000 H58 H 7.78600 -0.95500 0.59800 1.000 H59 H 6.22400 0.74800 -3.49200 1.000 H60 H 7.77200 2.73900 -3.19200 1.000 H61 H 8.47000 1.91600 -1.77700 1.000 H62 H -9.94300 -1.63600 -3.21300 1.000 H63 H -10.03300 -3.30000 -2.99700 1.000 H64 H 3.07500 -2.06600 -0.57400 1.000 H65 H 1.09900 -3.22200 -0.18900 1.000 H66 H 0.97100 -4.28300 1.10700 1.000 H67 H 5.14400 3.18200 -3.15300 1.000 H68 H -5.49800 2.55700 -0.38700 1.000 H69 H -3.72400 -1.53300 -0.46800 1.000 H70 H -2.88400 4.52300 3.17700 1.000 H71 H 9.68500 1.43200 -3.77600 1.000 H72 H 2.43500 3.85900 -0.44600 1.000 H73 H -5.44500 2.22900 2.72500 1.000