# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CMB' 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 -4.05000 3.66700 -0.30000 1.000 C1 C -3.78500 2.51300 0.40400 1.000 C2 C -2.50800 1.95900 0.36800 1.000 C3 C -1.50200 2.58800 -0.39100 1.000 C4 C -1.79700 3.76100 -1.09800 1.000 C5 C -3.05600 4.28500 -1.04700 1.000 N6 N -1.95000 0.84500 0.94800 1.000 C7 C -0.62300 0.76400 0.57100 1.000 C8 C -0.32700 1.81200 -0.24200 1.000 C9 C -0.72700 4.44200 -1.91200 1.000 C10 C 0.31800 -0.28700 0.98400 1.000 N11 N 1.61600 -0.20800 0.62800 1.000 C12 C 2.53000 -1.30800 0.94400 1.000 C13 C 3.91100 -0.97200 0.44300 1.000 C14 C -2.64700 -0.10100 1.82300 1.000 C15 C -3.37500 -1.11900 0.98400 1.000 C16 C -2.70800 -2.24100 0.52600 1.000 C17 C -3.37000 -3.18000 -0.24500 1.000 C18 C -4.70100 -3.00200 -0.56100 1.000 C19 C -5.37900 -1.87200 -0.10300 1.000 C20 C -4.70800 -0.93200 0.67800 1.000 C21 C 4.80100 -0.30300 1.26300 1.000 C22 C 6.06900 0.00500 0.80400 1.000 C23 C 6.44700 -0.35600 -0.47700 1.000 C24 C 5.55600 -1.02600 -1.29700 1.000 C25 C 4.29000 -1.33800 -0.83500 1.000 C26 C -6.80800 -1.67500 -0.43900 1.000 N27 N -7.43900 -0.62000 -0.01000 1.000 Cl28 Cl 7.18500 0.84500 1.83400 1.000 Cl29 Cl 6.03000 -1.47900 -2.90500 1.000 O30 O -0.07400 -1.22900 1.64600 1.000 N31 N -7.47000 -2.60900 -1.20700 1.000 H32 H -5.04300 4.09200 -0.27400 1.000 H33 H -3.28100 5.18900 -1.59300 1.000 H34 H 0.63200 2.01600 -0.69400 1.000 H35 H -0.73500 4.04500 -2.92700 1.000 H36 H -0.91900 5.51500 -1.93900 1.000 H37 H 0.24700 4.25800 -1.45800 1.000 H38 H 1.94400 0.57800 0.16400 1.000 H39 H 2.56200 -1.45600 2.02400 1.000 H40 H 2.18100 -2.22000 0.46200 1.000 H41 H -1.92200 -0.60800 2.46100 1.000 H42 H -3.36300 0.43800 2.44400 1.000 H43 H -1.66600 -2.38400 0.77100 1.000 H44 H -2.84400 -4.05400 -0.60000 1.000 H45 H -5.21700 -3.73500 -1.16300 1.000 H46 H -5.22900 -0.05800 1.04000 1.000 H47 H 4.50500 -0.02200 2.26300 1.000 H48 H 7.43600 -0.11500 -0.83600 1.000 H49 H 3.59700 -1.86400 -1.47400 1.000 H50 H -8.37400 -0.49100 -0.23000 1.000 H51 H -7.00000 -3.39500 -1.52700 1.000 H52 H -8.40600 -2.47900 -1.42800 1.000 H53 H -4.56500 2.04000 0.98200 1.000