# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0TM' 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 -4.59600 -1.60600 -2.55800 1.000 O1 O -5.05800 -0.47200 -1.82100 1.000 C2 C -4.16000 0.14000 -1.00300 1.000 C3 C -2.86700 -0.34000 -0.91400 1.000 C4 C -4.54300 1.25500 -0.26000 1.000 O5 O -5.81300 1.72800 -0.35200 1.000 C6 C -6.13800 2.87400 0.43800 1.000 C7 C -3.62900 1.88200 0.57500 1.000 C8 C -2.33800 1.40500 0.67200 1.000 Cl9 Cl -1.19700 2.19200 1.71700 1.000 C10 C -1.94800 0.29100 -0.07500 1.000 C11 C -0.56200 -0.21900 0.02300 1.000 N12 N 0.47700 0.58000 -0.21400 1.000 C13 C -0.31100 -1.55300 0.37400 1.000 C14 C -1.14700 -2.71600 0.70900 1.000 C15 C -2.57700 -2.75800 0.76000 1.000 N16 N -3.71200 -2.79200 0.80000 1.000 C17 C -0.28900 -3.74500 0.96100 1.000 N18 N 0.99400 -3.31900 0.81100 1.000 C19 C 1.02200 -1.99500 0.45600 1.000 N20 N 1.99700 -1.12800 0.19600 1.000 C21 C 1.72000 0.12500 -0.12600 1.000 S22 S 3.05300 1.23100 -0.45200 1.000 C23 C 4.45600 0.11600 -0.19600 1.000 C24 C 5.74200 0.86700 -0.42600 1.000 O25 O 5.71300 2.03900 -0.73400 1.000 N26 N 6.92400 0.23500 -0.29100 1.000 C27 C 8.17500 0.96400 -0.51600 1.000 C28 C 6.95900 -1.18200 0.08100 1.000 H29 H -5.40900 -1.99800 -3.16900 1.000 H30 H -3.76900 -1.30800 -3.20300 1.000 H31 H -4.25700 -2.37600 -1.86600 1.000 H32 H -2.56800 -1.20100 -1.49300 1.000 H33 H -5.98700 2.64300 1.49200 1.000 H34 H -5.49400 3.70600 0.15200 1.000 H35 H -7.18000 3.14700 0.27100 1.000 H36 H -3.93000 2.74600 1.14900 1.000 H37 H -0.58400 -4.74700 1.23800 1.000 H38 H 1.78000 -3.87400 0.93900 1.000 H39 H 4.43500 -0.26400 0.82600 1.000 H40 H 4.39100 -0.71700 -0.89500 1.000 H41 H 8.51100 1.40600 0.42200 1.000 H42 H 8.93500 0.27600 -0.88600 1.000 H43 H 8.00900 1.75200 -1.25000 1.000 H44 H 6.43200 -1.76800 -0.67100 1.000 H45 H 7.99500 -1.51600 0.14200 1.000 H46 H 6.47700 -1.31600 1.04900 1.000