# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9LS' 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 1.13900 0.74900 -0.20400 1.000 N1 N 1.53700 2.81500 0.41200 1.000 C2 C 2.46200 0.80600 0.19200 1.000 C3 C 2.69800 2.13600 0.58300 1.000 C4 C -0.66300 -0.80400 0.27400 1.000 C5 C 0.42900 -0.43400 -0.69600 1.000 C6 C 3.48500 -0.12900 0.26200 1.000 C7 C 3.96800 2.50600 1.03600 1.000 C8 C 4.97200 1.56500 1.10000 1.000 C9 C 1.41000 -1.60000 -0.82900 1.000 C10 C -3.39000 3.10900 -0.93300 1.000 C11 C -2.62100 3.91000 -0.10400 1.000 C12 C -4.42900 -3.46800 1.49200 1.000 F13 F -3.08500 -4.04300 -0.37100 1.000 C14 C -3.38000 -3.19100 0.63500 1.000 C15 C -4.73500 -2.59300 2.51800 1.000 C16 C -3.99300 -1.44000 2.69100 1.000 C17 C -2.94300 -1.15600 1.83900 1.000 C18 C -2.62900 -2.03400 0.81100 1.000 N19 N -1.56500 -1.75000 -0.05500 1.000 O20 O -0.73000 -0.25100 1.35200 1.000 C21 C 0.64200 -2.87600 -1.17800 1.000 C22 C 1.62400 -4.04200 -1.31100 1.000 C23 C 2.63400 -3.73500 -2.41800 1.000 C24 C 3.40200 -2.45900 -2.06900 1.000 C25 C 2.42000 -1.29300 -1.93600 1.000 C26 C 0.61500 2.00400 -0.04600 1.000 F27 F 6.20000 1.92300 1.53800 1.000 C28 C 4.73300 0.25000 0.71500 1.000 F29 F 5.72800 -0.66200 0.78300 1.000 C30 C -0.77900 2.38900 -0.35400 1.000 C31 C -1.55900 1.58700 -1.18900 1.000 C32 C -2.85800 1.95100 -1.47400 1.000 Cl33 Cl -5.02900 3.55800 -1.28900 1.000 C34 C -1.32000 3.55600 0.18700 1.000 H35 H -0.01000 -0.21500 -1.67000 1.000 H36 H 3.30600 -1.15100 -0.03800 1.000 H37 H 4.16100 3.52600 1.33400 1.000 H38 H 1.93800 -1.74000 0.11500 1.000 H39 H -3.04100 4.81200 0.31500 1.000 H40 H -5.01400 -4.36700 1.35700 1.000 H41 H -5.55500 -2.81200 3.18600 1.000 H42 H -4.23400 -0.75800 3.49400 1.000 H43 H -2.36400 -0.25500 1.97500 1.000 H44 H -1.47700 -2.23400 -0.89100 1.000 H45 H -0.07700 -3.09500 -0.38900 1.000 H46 H 0.11500 -2.73600 -2.12200 1.000 H47 H 2.15100 -4.18200 -0.36700 1.000 H48 H 1.07700 -4.95100 -1.55900 1.000 H49 H 3.33300 -4.56600 -2.51300 1.000 H50 H 2.10600 -3.59500 -3.36200 1.000 H51 H 3.92900 -2.59900 -1.12500 1.000 H52 H 4.12100 -2.24100 -2.85800 1.000 H53 H 1.89300 -1.15300 -2.88000 1.000 H54 H 2.96700 -0.38400 -1.68800 1.000 H55 H -1.14500 0.68300 -1.61100 1.000 H56 H -3.46300 1.33100 -2.11900 1.000 H57 H -0.72100 4.18100 0.83300 1.000