# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JSJ' 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 4.98000 0.18600 0.61300 1.000 C1 C -5.15900 -3.39600 0.48800 1.000 C2 C -4.67900 -2.14900 -0.21900 1.000 C3 C -5.69700 -1.35600 -0.44400 1.000 C4 C -5.62100 -0.01600 -1.12800 1.000 C5 C -6.95900 -1.99400 0.09000 1.000 C6 C -7.79800 -0.95900 0.84200 1.000 C7 C -7.77100 -2.60100 -1.05600 1.000 C8 C -5.25900 -4.56000 -0.50000 1.000 C9 C -4.21100 -3.75400 1.63400 1.000 C10 C 7.52300 -3.44600 1.31300 1.000 C11 C 6.03100 1.28600 0.34500 1.000 C12 C 5.21600 2.59900 0.37600 1.000 C13 C 6.09100 -2.04700 0.18400 1.000 C14 C 3.77000 2.13600 0.65900 1.000 C15 C 6.06900 -2.95400 -0.89000 1.000 C16 C 2.77400 2.99400 -0.12500 1.000 C17 C 6.82200 -4.13500 -0.77500 1.000 C18 C 4.79000 -1.28800 -1.42600 1.000 N19 N 7.53000 -4.33100 0.33300 1.000 N20 N -6.50100 -3.05600 1.01700 1.000 N21 N 6.82500 -2.33200 1.25500 1.000 N22 N 6.84000 -5.06600 -1.80000 1.000 N23 N 5.25700 -2.43000 -1.83900 1.000 N24 N 5.27500 -1.00700 -0.18400 1.000 O25 O 0.19200 3.23400 -1.86900 1.000 O26 O -3.34600 3.97400 -0.41200 1.000 O27 O 7.02500 1.28900 1.37200 1.000 O28 O 0.09400 4.87700 0.04300 1.000 O29 O -2.73600 1.91100 -1.73200 1.000 O30 O 5.68500 3.45400 1.42000 1.000 O31 O -1.18600 2.58300 0.14300 1.000 O32 O 3.72400 0.76700 0.20100 1.000 O33 O 1.44100 2.62800 0.23800 1.000 O34 O -7.39300 -4.21400 0.96800 1.000 P35 P 0.13600 3.32800 -0.39400 1.000 P36 P -2.70800 2.49700 -0.37300 1.000 S37 S -3.83300 1.27600 0.94600 1.000 S38 S -5.70700 1.30300 0.11400 1.000 H39 H 4.95200 -0.06300 1.67400 1.000 H40 H -3.65600 -1.94400 -0.49500 1.000 H41 H -4.68100 0.06000 -1.67500 1.000 H42 H -6.45500 0.08400 -1.82300 1.000 H43 H -8.06700 -0.14800 0.16600 1.000 H44 H -8.70400 -1.43200 1.22100 1.000 H45 H -7.22100 -0.56000 1.67600 1.000 H46 H -7.13400 -3.26400 -1.64100 1.000 H47 H -8.60700 -3.16900 -0.64700 1.000 H48 H -8.15100 -1.80400 -1.69500 1.000 H49 H -4.28100 -4.74100 -0.94800 1.000 H50 H -5.58900 -5.45600 0.02500 1.000 H51 H -5.97600 -4.31200 -1.28300 1.000 H52 H -3.22300 -3.97900 1.23100 1.000 H53 H -4.14000 -2.91300 2.32300 1.000 H54 H -4.59400 -4.62600 2.16400 1.000 H55 H 8.10900 -3.64700 2.19800 1.000 H56 H 6.49100 1.14400 -0.63200 1.000 H57 H 5.27400 3.10600 -0.58700 1.000 H58 H 3.55600 2.18900 1.72600 1.000 H59 H 2.93800 4.04600 0.10800 1.000 H60 H 2.91700 2.83100 -1.19300 1.000 H61 H 4.11700 -0.65500 -1.98600 1.000 H62 H 6.32800 -4.90600 -2.60800 1.000 H63 H 7.36300 -5.87700 -1.70900 1.000 H64 H -3.36100 4.41900 0.44600 1.000 H65 H 7.71000 1.96100 1.25400 1.000 H66 H 0.05700 5.01500 1.00000 1.000 H67 H 6.60800 3.72600 1.32200 1.000 H68 H -7.08200 -4.97200 1.48200 1.000