# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9JA' 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 1.91700 0.27500 -1.82600 1.000 C1 C -2.68700 0.78400 -0.16000 1.000 C2 C -0.25600 1.24300 -2.16100 1.000 C3 C 0.93900 0.78000 -2.67200 1.000 C4 C -3.91900 1.20900 0.35400 1.000 C5 C -4.10800 2.61500 0.76100 1.000 C6 C -4.96700 0.29500 0.47900 1.000 C7 C -4.78500 -1.01700 0.09700 1.000 O8 O 2.97800 0.53500 1.52600 1.000 B9 B 2.75500 -0.34800 0.50600 1.000 O10 O 2.32200 -1.54100 1.01400 1.000 N11 N 4.03600 -0.55900 -0.27600 1.000 S12 S 5.51100 -0.14200 0.35100 1.000 O13 O 5.21700 0.89200 1.28000 1.000 C14 C 6.07300 -1.63400 1.21600 1.000 C15 C 7.44300 -1.37300 1.84700 1.000 O16 O 6.32000 0.10700 -0.79000 1.000 N17 N 3.92000 -1.11000 -1.52800 1.000 C18 C 3.21400 -0.19500 -2.42700 1.000 C19 C -0.48600 1.20600 -0.79400 1.000 O20 O -1.66100 1.66400 -0.28600 1.000 N21 N -3.13400 3.45900 0.64200 1.000 O22 O -3.31500 4.80800 1.03300 1.000 C23 C -5.91700 -2.00200 0.23300 1.000 F24 F -5.39700 -3.28100 0.46000 1.000 F25 F -6.73200 -1.63200 1.30800 1.000 F26 F -6.67200 -2.00900 -0.94500 1.000 C27 C -3.56500 -1.43300 -0.41000 1.000 C28 C -2.51900 -0.54000 -0.53400 1.000 C29 C 0.48800 0.69700 0.05200 1.000 C30 C 1.68300 0.23100 -0.46600 1.000 H31 H -1.01100 1.63500 -2.82600 1.000 H32 H 1.11500 0.81100 -3.73700 1.000 H33 H -5.05900 2.93900 1.15600 1.000 H34 H -5.92000 0.61600 0.87500 1.000 H35 H 2.19200 0.73000 2.05600 1.000 H36 H 1.49900 -1.47700 1.51900 1.000 H37 H 5.35700 -1.89300 1.99700 1.000 H38 H 6.15100 -2.45800 0.50700 1.000 H39 H 8.15800 -1.11500 1.06600 1.000 H40 H 7.36500 -0.54900 2.55600 1.000 H41 H 7.78000 -2.27000 2.36600 1.000 H42 H 3.45700 -2.00600 -1.48700 1.000 H43 H 3.00600 -0.70700 -3.36600 1.000 H44 H 3.84800 0.66900 -2.62600 1.000 H45 H -2.53300 5.36200 0.90700 1.000 H46 H -3.43000 -2.46300 -0.70700 1.000 H47 H -1.57100 -0.87200 -0.93200 1.000 H48 H 0.31400 0.66500 1.11700 1.000