# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '921' 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 2.86700 1.21500 -1.12700 1.000 C1 C 4.15200 0.39100 -1.22700 1.000 C2 C 4.88200 0.41700 0.11700 1.000 C3 C 2.69300 0.64700 1.30000 1.000 C4 C 8.52400 -0.58800 0.14300 1.000 C5 C 7.28400 -2.45500 -0.38900 1.000 C6 C -0.46100 0.82700 -0.17100 1.000 C7 C -1.53100 2.75200 0.87100 1.000 C8 C -1.73800 3.85700 -0.13200 1.000 C9 C -2.62500 4.79400 0.09800 1.000 C10 C -3.37900 4.81300 1.40300 1.000 C11 C -4.00800 1.59000 0.13400 1.000 C12 C -5.30000 -0.27800 -0.62500 1.000 C13 C 0.80100 2.83400 0.39000 1.000 N14 N 0.73300 1.41100 0.05200 1.000 C15 C 1.96400 0.62100 -0.04500 1.000 C16 C 3.97800 -0.17700 1.19900 1.000 C17 C 6.14700 -0.39500 0.01800 1.000 C18 C 7.38500 0.18900 0.24400 1.000 N19 N 8.44300 -1.86700 -0.16800 1.000 C20 C 6.10200 -1.74300 -0.30100 1.000 O21 O -0.51400 -0.26700 -0.69800 1.000 N22 N -1.59700 1.45600 0.19200 1.000 C23 C -2.89100 5.85200 -0.94100 1.000 C24 C -2.83800 0.87200 -0.08200 1.000 C25 C -5.23400 1.01300 -0.13500 1.000 C26 C -4.13500 -1.00200 -0.83700 1.000 O27 O -4.20200 -2.27000 -1.32000 1.000 C28 C -3.99900 -3.29500 -0.45100 1.000 C29 C -3.84500 -3.03700 0.90400 1.000 C30 C -3.63900 -4.08000 1.78600 1.000 C31 C -3.58500 -5.38100 1.31900 1.000 C32 C -3.73700 -5.64100 -0.03100 1.000 C33 C -3.95000 -4.60200 -0.91500 1.000 C34 C -2.90300 -0.42600 -0.56800 1.000 H35 H 3.11500 2.24500 -0.86800 1.000 H36 H 2.34800 1.19700 -2.08500 1.000 H37 H 3.90400 -0.63800 -1.48600 1.000 H38 H 4.79600 0.81400 -1.99800 1.000 H39 H 5.13000 1.44600 0.37600 1.000 H40 H 2.94100 1.67600 1.55900 1.000 H41 H 2.04900 0.22400 2.07100 1.000 H42 H 9.49100 -0.14100 0.31700 1.000 H43 H 7.25700 -3.50500 -0.64100 1.000 H44 H -0.55400 2.86700 1.34100 1.000 H45 H -2.30900 2.80300 1.63300 1.000 H46 H -1.15600 3.87700 -1.04200 1.000 H47 H -2.83300 5.41600 2.12900 1.000 H48 H -4.36800 5.24200 1.24500 1.000 H49 H -3.48000 3.79500 1.77900 1.000 H50 H -3.95900 2.59900 0.51700 1.000 H51 H -6.26000 -0.72600 -0.83400 1.000 H52 H 0.84700 2.94900 1.47300 1.000 H53 H 1.69200 3.27300 -0.06000 1.000 H54 H -0.08500 3.34100 0.00900 1.000 H55 H 1.71500 -0.40800 -0.30300 1.000 H56 H 3.73000 -1.20700 0.94000 1.000 H57 H 4.49700 -0.15900 2.15700 1.000 H58 H 7.45700 1.23600 0.49500 1.000 H59 H 5.15600 -2.23100 -0.48400 1.000 H60 H -3.68700 5.51600 -1.60600 1.000 H61 H -3.19400 6.77600 -0.45000 1.000 H62 H -1.98500 6.02800 -1.52000 1.000 H63 H -6.14200 1.57100 0.03800 1.000 H64 H -3.88700 -2.02100 1.26900 1.000 H65 H -3.51900 -3.88000 2.84000 1.000 H66 H -3.42400 -6.19500 2.01000 1.000 H67 H -3.69400 -6.65700 -0.39300 1.000 H68 H -4.06900 -4.80500 -1.96900 1.000 H69 H -1.99500 -0.98600 -0.73800 1.000