# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JSR' 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 0.15000 3.22800 -0.61900 1.000 O1 O -0.68400 2.40200 0.19600 1.000 C2 C 1.61900 2.91900 -0.32300 1.000 N3 N 1.92100 1.54000 -0.72900 1.000 C4 C 3.32600 1.20700 -0.45800 1.000 C5 C 3.60200 -0.23400 -0.89400 1.000 N6 N -3.61500 3.01700 1.83600 1.000 C7 C 5.04300 -0.57500 -0.61600 1.000 C8 C 5.40200 -1.11900 0.60300 1.000 C9 C 6.72700 -1.43300 0.85700 1.000 F10 F 7.07800 -1.96500 2.04800 1.000 C11 C 7.69000 -1.20200 -0.11000 1.000 C12 C 7.32900 -0.65700 -1.32800 1.000 C13 C 6.00600 -0.34900 -1.58300 1.000 N14 N -3.28500 -1.57700 0.22100 1.000 C15 C -2.60900 3.67800 0.97500 1.000 C16 C -3.91100 -0.73200 -0.57600 1.000 C17 C -2.08300 2.61300 -0.00400 1.000 C18 C -5.16100 -1.02800 -1.08000 1.000 C19 C -2.87300 1.32800 0.33400 1.000 C20 C -5.76400 -2.23300 -0.74000 1.000 C21 C -4.13700 1.87500 1.04400 1.000 C22 C -5.08400 -3.09800 0.09800 1.000 C23 C -3.82600 -2.73400 0.56800 1.000 N24 N -3.13100 -3.59400 1.41100 1.000 C25 C -3.25200 0.57300 -0.94200 1.000 C26 C -7.12800 -2.58800 -1.27100 1.000 H27 H -0.05800 3.02900 -1.67100 1.000 H28 H -0.05200 4.27600 -0.40100 1.000 H29 H 2.25500 3.60900 -0.87800 1.000 H30 H 1.80600 3.03200 0.74500 1.000 H31 H 1.30100 0.88500 -0.27600 1.000 H32 H 3.97400 1.88500 -1.01500 1.000 H33 H 3.52500 1.30900 0.60900 1.000 H34 H 2.95500 -0.91200 -0.33700 1.000 H35 H 3.40400 -0.33500 -1.96100 1.000 H36 H -4.35600 3.65600 2.08100 1.000 H37 H 4.65000 -1.29900 1.35600 1.000 H38 H 8.72300 -1.44600 0.08700 1.000 H39 H 8.08000 -0.47700 -2.08300 1.000 H40 H 5.72400 0.07200 -2.53700 1.000 H41 H -3.07300 4.49500 0.42200 1.000 H42 H -1.79100 4.06100 1.58700 1.000 H43 H -2.27600 2.91700 -1.03300 1.000 H44 H -5.66600 -0.33100 -1.73200 1.000 H45 H -2.30000 0.68800 1.00600 1.000 H46 H -4.56800 1.11800 1.69900 1.000 H47 H -4.87100 2.21600 0.31300 1.000 H48 H -5.52300 -4.04200 0.38300 1.000 H49 H -3.52300 -4.44400 1.66800 1.000 H50 H -2.25300 -3.34500 1.74100 1.000 H51 H -2.35400 0.37600 -1.52700 1.000 H52 H -3.94300 1.17700 -1.52900 1.000 H53 H -7.02300 -3.12200 -2.21600 1.000 H54 H -7.64500 -3.22300 -0.55100 1.000 H55 H -7.70500 -1.67700 -1.43100 1.000