# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '96T' 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 1.53400 -4.40100 -2.49600 1.000 C1 C 1.08200 -3.47700 -1.50300 1.000 C2 C 2.11200 -2.35700 -1.34200 1.000 C3 C 1.57300 -1.30500 -0.37100 1.000 N4 N 2.50200 -0.17300 -0.31200 1.000 C5 C 3.77900 -0.28200 0.14500 1.000 C6 C 4.49200 -1.38500 0.63700 1.000 C7 C 5.79900 -1.23300 1.04600 1.000 C8 C 6.41900 0.00200 0.97600 1.000 C9 C 5.72400 1.10000 0.49200 1.000 C10 C 4.42200 0.95900 0.08200 1.000 C11 C 3.39600 1.91500 -0.48200 1.000 C12 C 3.09100 3.03100 0.52000 1.000 C13 C 3.87700 2.50100 -1.81000 1.000 C14 C 2.18300 1.03400 -0.69900 1.000 C15 C 0.94300 1.43900 -1.21900 1.000 C16 C -0.21200 0.95600 -0.68200 1.000 C17 C -1.44700 1.24800 -1.29100 1.000 C18 C -2.59500 0.77600 -0.75200 1.000 C19 C -4.00400 1.16300 -1.14800 1.000 C20 C -4.23400 2.65800 -0.91400 1.000 C21 C -4.26700 0.80200 -2.61200 1.000 C22 C -4.88400 0.34300 -0.23400 1.000 C23 C -6.25100 0.24400 -0.10100 1.000 C24 C -6.79400 -0.61100 0.84300 1.000 C25 C -5.96000 -1.36300 1.65000 1.000 C26 C -4.59000 -1.26700 1.51900 1.000 C27 C -4.03600 -0.40800 0.57000 1.000 N28 N -2.70500 -0.14700 0.25100 1.000 C29 C -1.56200 -0.78100 0.91300 1.000 C30 C -1.02100 0.14900 2.00000 1.000 C31 C 0.24500 -0.45800 2.60700 1.000 O32 O 0.68200 0.34900 3.70300 1.000 H33 H 0.92900 -5.13900 -2.65100 1.000 H34 H 0.12700 -3.05100 -1.81100 1.000 H35 H 0.95800 -3.99700 -0.55300 1.000 H36 H 3.04100 -2.77200 -0.95000 1.000 H37 H 2.30100 -1.89500 -2.31000 1.000 H38 H 0.59900 -0.95800 -0.71500 1.000 H39 H 1.47200 -1.74400 0.62200 1.000 H40 H 4.01700 -2.35300 0.69500 1.000 H41 H 6.34400 -2.08500 1.42400 1.000 H42 H 7.44300 0.11200 1.30000 1.000 H43 H 6.20700 2.06400 0.43800 1.000 H44 H 3.99900 3.59900 0.71900 1.000 H45 H 2.33100 3.69400 0.10500 1.000 H46 H 2.72400 2.59500 1.44900 1.000 H47 H 4.06300 1.69300 -2.51800 1.000 H48 H 3.11300 3.16700 -2.21200 1.000 H49 H 4.79800 3.06100 -1.64800 1.000 H50 H 0.90500 2.13500 -2.04400 1.000 H51 H -0.18000 0.34800 0.21000 1.000 H52 H -1.47900 1.84900 -2.18700 1.000 H53 H -3.52800 3.23200 -1.51300 1.000 H54 H -5.25200 2.91800 -1.20400 1.000 H55 H -4.08800 2.88700 0.14100 1.000 H56 H -4.14200 -0.27200 -2.74900 1.000 H57 H -5.28400 1.08700 -2.87900 1.000 H58 H -3.56100 1.33400 -3.25000 1.000 H59 H -6.90000 0.83300 -0.73200 1.000 H60 H -7.86600 -0.69000 0.95000 1.000 H61 H -6.38400 -2.03000 2.38600 1.000 H62 H -3.94500 -1.85800 2.15200 1.000 H63 H -1.88000 -1.72100 1.36500 1.000 H64 H -0.78000 -0.97700 0.17900 1.000 H65 H -0.78600 1.12000 1.56300 1.000 H66 H -1.77300 0.27400 2.77900 1.000 H67 H 0.03200 -1.46600 2.96000 1.000 H68 H 1.02800 -0.49600 1.85000 1.000 H69 H 1.48200 0.02300 4.13700 1.000