# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CRM' 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 3.67900 -0.04500 0.17000 1.000 O1 O 4.58700 -0.02800 0.97800 1.000 N2 N 2.46400 0.37900 0.55400 1.000 C3 C 1.41000 0.37900 -0.31700 1.000 N4 N 0.17600 0.79600 0.06800 1.000 C5 C -0.05600 1.26600 1.43600 1.000 C6 C -0.47200 0.08600 2.31700 1.000 C7 C -0.71400 0.57600 3.74600 1.000 C8 C -1.13000 -0.60300 4.62600 1.000 C9 C -1.37200 -0.11300 6.05500 1.000 O10 O -1.76100 -1.21500 6.87700 1.000 O11 O -2.33100 -1.18200 4.11100 1.000 O12 O 0.48600 1.15500 4.26100 1.000 O13 O -1.67200 -0.49200 1.80200 1.000 C14 C -0.83200 0.77700 -0.83000 1.000 O15 O -1.94500 1.15300 -0.50700 1.000 C16 C -0.59000 0.32100 -2.14800 1.000 C17 C -1.71600 0.30000 -3.14900 1.000 C18 C -1.19800 -0.23100 -4.48700 1.000 C19 C -2.32300 -0.25200 -5.48900 1.000 O20 O -2.10000 -0.68400 -6.74000 1.000 O21 O -3.42700 0.12000 -5.16600 1.000 N22 N 0.60100 -0.08300 -2.50200 1.000 C23 C 1.60900 -0.07100 -1.62600 1.000 C24 C 2.95700 -0.52200 -2.00700 1.000 O25 O 3.18600 -0.92400 -3.13300 1.000 N26 N 3.93100 -0.48800 -1.07200 1.000 H27 H 2.33200 0.69000 1.46400 1.000 H28 H -0.84800 2.01500 1.43400 1.000 H29 H 0.85900 1.70800 1.82900 1.000 H30 H 0.32000 -0.66200 2.31900 1.000 H31 H -1.50600 1.32500 3.74300 1.000 H32 H -0.33800 -1.35100 4.62900 1.000 H33 H -2.16500 0.63500 6.05300 1.000 H34 H -0.45700 0.32800 6.44800 1.000 H35 H -1.90300 -0.86300 7.76700 1.000 H36 H -3.00400 -0.48800 4.12600 1.000 H37 H 1.15900 0.46100 4.24600 1.000 H38 H -2.34600 0.20100 1.81700 1.000 H39 H -2.51400 -0.34600 -2.78600 1.000 H40 H -2.10100 1.31100 -3.28500 1.000 H41 H -0.40000 0.41500 -4.85100 1.000 H42 H -0.81300 -1.24200 -4.35200 1.000 H43 H -2.82200 -0.69700 -7.38300 1.000 H44 H 4.82500 -0.78500 -1.30200 1.000