# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9RV' 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 -0.73800 -1.09700 0.51000 1.000 C1 C -4.12300 0.24700 0.38600 1.000 C2 C -2.16800 -0.28900 1.97900 1.000 C3 C -4.45100 0.98400 -0.70500 1.000 C4 C -5.88500 1.25300 -0.62000 1.000 C5 C 1.66800 -1.31900 0.51900 1.000 C6 C -6.80200 1.94100 -1.41300 1.000 C7 C 4.16200 -1.50400 0.57700 1.000 C8 C 0.36100 -2.55200 -1.07600 1.000 C9 C 1.51700 -3.10400 -1.59300 1.000 C10 C 2.74600 -2.75700 -1.06400 1.000 C11 C 8.35900 2.97600 -0.63000 1.000 C12 C -2.76600 -0.24900 0.70300 1.000 C13 C -1.84900 -0.76100 -0.19800 1.000 N14 N -0.96900 -0.79100 1.85600 1.000 N15 N -5.24400 0.03700 1.15500 1.000 C16 C 0.43300 -1.65700 -0.01700 1.000 C17 C -6.33200 0.63200 0.56600 1.000 C18 C 5.89200 0.17600 0.23000 1.000 N19 N 4.69600 -0.33300 -0.12300 1.000 O20 O -2.02400 -0.90000 -1.53500 1.000 N21 N -8.06800 2.00700 -1.05400 1.000 O22 O 6.52800 -0.33500 1.12800 1.000 C23 C -7.68100 0.73700 0.89300 1.000 C24 C 2.82100 -1.87000 -0.00500 1.000 C25 C -8.51800 1.43600 0.05000 1.000 C26 C 6.44100 1.38100 -0.49000 1.000 C27 C 7.80200 1.75300 0.10100 1.000 C28 C 9.72100 3.34700 -0.03900 1.000 H29 H -2.62300 0.04000 2.90200 1.000 H30 H -3.78100 1.31000 -1.48700 1.000 H31 H 1.72800 -0.62400 1.34300 1.000 H32 H -6.47500 2.42100 -2.32300 1.000 H33 H 4.85000 -2.34200 0.46000 1.000 H34 H 4.04800 -1.27300 1.63600 1.000 H35 H -0.59900 -2.81600 -1.49600 1.000 H36 H 1.46100 -3.80000 -2.41700 1.000 H37 H 3.64900 -3.18900 -1.46900 1.000 H38 H 8.47400 2.74500 -1.68900 1.000 H39 H 7.67200 3.81300 -0.51300 1.000 H40 H -5.26400 -0.46300 1.98600 1.000 H41 H 4.18700 0.07600 -0.84100 1.000 H42 H -8.06400 0.28200 1.79500 1.000 H43 H -9.56600 1.52100 0.29900 1.000 H44 H 6.55500 1.15100 -1.54900 1.000 H45 H 5.75300 2.21900 -0.37300 1.000 H46 H 8.49000 0.91500 -0.01600 1.000 H47 H 7.68800 1.98300 1.16000 1.000 H48 H 9.60600 3.57800 1.02000 1.000 H49 H 10.40800 2.51000 -0.15700 1.000 H50 H 10.11800 4.21900 -0.56000 1.000 H51 H -2.40200 -1.75100 -1.79600 1.000