# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CXW' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -5.23300 0.37300 1.38500 1.000 C1 C -4.86500 -0.62200 0.53700 1.000 C2 C -5.18500 -1.94000 0.83100 1.000 C3 C -4.80900 -2.95000 -0.03300 1.000 C4 C -4.11400 -2.64900 -1.19000 1.000 C5 C -3.79400 -1.33700 -1.48500 1.000 C6 C -4.17300 -0.32200 -0.62800 1.000 C7 C -3.82400 1.10800 -0.95000 1.000 N8 N -2.64300 1.51000 -0.17400 1.000 C9 C -2.27300 2.90200 -0.46300 1.000 C10 C -1.04200 3.28400 0.36100 1.000 O11 O 0.07600 2.50000 -0.06000 1.000 C12 C 1.28300 2.78000 0.65200 1.000 C13 C 2.09500 3.87100 -0.07900 1.000 N14 N 3.51300 3.46100 0.09400 1.000 C15 C 3.48700 1.98400 -0.06200 1.000 C16 C 2.19900 1.53800 0.66300 1.000 C17 C 1.53700 0.38300 -0.09100 1.000 C18 C 2.42400 -0.83400 -0.02500 1.000 C19 C 1.91400 -2.02200 0.45600 1.000 C20 C 2.73400 -3.14200 0.51000 1.000 C21 C 2.21100 -4.45600 1.03000 1.000 N22 N 3.67600 -0.75000 -0.43300 1.000 C23 C 4.49100 -1.79300 -0.39300 1.000 N24 N 5.80200 -1.66000 -0.83300 1.000 C25 C 4.04200 -3.02400 0.07500 1.000 H26 H -4.57600 0.57300 2.06600 1.000 H27 H -5.72700 -2.17600 1.73500 1.000 H28 H -5.05800 -3.97600 0.19600 1.000 H29 H -3.82100 -3.44000 -1.86400 1.000 H30 H -3.25100 -1.10500 -2.39000 1.000 H31 H -3.60700 1.19700 -2.01500 1.000 H32 H -4.66400 1.75300 -0.69500 1.000 H33 H -1.86800 0.88700 -0.34500 1.000 H34 H -2.04500 3.00400 -1.52500 1.000 H35 H -3.10200 3.56000 -0.20500 1.000 H36 H -0.82000 4.34100 0.21500 1.000 H37 H -1.24000 3.09700 1.41700 1.000 H38 H 1.05700 3.09400 1.67100 1.000 H39 H 1.83300 3.89600 -1.13600 1.000 H40 H 1.92100 4.84500 0.37900 1.000 H41 H 3.85600 3.72200 1.00600 1.000 H42 H 3.44300 1.71400 -1.11700 1.000 H43 H 4.36400 1.53700 0.40700 1.000 H44 H 2.42400 1.24300 1.68700 1.000 H45 H 0.57400 0.15600 0.36500 1.000 H46 H 1.38800 0.66800 -1.13300 1.000 H47 H 0.88800 -2.08100 0.78900 1.000 H48 H 2.37700 -4.51400 2.10500 1.000 H49 H 1.14300 -4.52900 0.82300 1.000 H50 H 2.73400 -5.27600 0.53700 1.000 H51 H 6.11800 -0.80500 -1.16800 1.000 H52 H 6.40300 -2.42100 -0.80500 1.000 H53 H 4.70700 -3.87400 0.10300 1.000