# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '027' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -2.28800 -0.53600 0.03100 1.000 N1 N -1.71200 -1.80500 0.07700 1.000 C2 C -1.57900 0.56100 0.06100 1.000 C3 C -0.37600 -1.97700 0.15700 1.000 C4 C 0.49100 -0.79100 0.19500 1.000 C5 C -0.11600 0.48400 0.14700 1.000 C6 C -3.60600 1.87200 -0.07000 1.000 N7 N -2.21100 1.80000 0.01200 1.000 C8 C -4.48800 0.77900 -0.11100 1.000 N9 N -5.67200 2.61300 -0.18900 1.000 N10 N -4.32000 2.97200 -0.11700 1.000 N11 N 4.03300 0.16400 0.39100 1.000 C12 C 1.87700 -0.89500 0.27700 1.000 C13 C 2.64300 0.25900 0.30900 1.000 C14 C -5.74700 1.26500 -0.18900 1.000 C15 C 0.67800 1.63100 0.18100 1.000 N16 N 6.70400 0.54400 -0.52000 1.000 O17 O 0.10400 -3.09600 0.19700 1.000 C18 C -2.58000 -2.98400 0.03900 1.000 C19 C 2.03600 1.51300 0.26200 1.000 C20 C 4.65100 1.49800 0.41300 1.000 C21 C 4.57200 -0.64400 -0.71100 1.000 C22 C 6.08600 -0.78900 -0.54200 1.000 C23 C 6.16500 1.35300 0.58300 1.000 C24 C 8.16700 0.44500 -0.43400 1.000 C25 C -7.01100 0.44700 -0.25500 1.000 C26 C -3.53400 -2.95400 1.23400 1.000 C27 C -3.39000 -2.97900 -1.26000 1.000 H28 H -1.68300 2.61400 0.03400 1.000 H29 H -4.20900 -0.26400 -0.08400 1.000 H30 H 2.35000 -1.86500 0.31500 1.000 H31 H 0.22000 2.60800 0.14400 1.000 H32 H -1.97000 -3.88600 0.08300 1.000 H33 H 2.64800 2.40300 0.28800 1.000 H34 H 4.43800 2.01300 -0.52400 1.000 H35 H 4.24500 2.07300 1.24500 1.000 H36 H 4.10900 -1.63100 -0.69900 1.000 H37 H 4.35800 -0.15400 -1.66100 1.000 H38 H 6.49200 -1.36400 -1.37400 1.000 H39 H 6.29900 -1.30400 0.39500 1.000 H40 H 6.37900 0.86200 1.53200 1.000 H41 H 6.62900 2.33900 0.57000 1.000 H42 H 8.44500 -0.02300 0.51100 1.000 H43 H 8.54000 -0.15900 -1.26100 1.000 H44 H 8.60200 1.44300 -0.48700 1.000 H45 H -7.37600 0.26000 0.75500 1.000 H46 H -7.76800 0.99300 -0.82000 1.000 H47 H -6.80400 -0.50200 -0.74900 1.000 H48 H -4.14400 -2.05200 1.19000 1.000 H49 H -4.18100 -3.83100 1.20600 1.000 H50 H -2.95800 -2.95800 2.15900 1.000 H51 H -4.03600 -3.85600 -1.28800 1.000 H52 H -4.00000 -2.07700 -1.30400 1.000 H53 H -2.71000 -3.00000 -2.11200 1.000 H54 H -6.42300 3.22600 -0.23600 1.000