# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FND' 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 -2.39200 -2.15200 -0.47100 1.000 C1 C -1.91000 -3.00700 0.52500 1.000 C2 C -0.65400 -2.80300 1.05900 1.000 C3 C 0.13300 -1.74300 0.60300 1.000 C4 C -0.34700 -0.89300 -0.38700 1.000 C5 C -1.59800 -1.09700 -0.92600 1.000 O6 O 6.98600 1.96900 -2.47700 1.000 C7 C 6.18900 1.62900 -1.62400 1.000 N8 N 5.33600 0.66700 -1.94600 1.000 C9 C 5.46200 0.09900 -3.29100 1.000 C10 C 4.33000 0.14000 -1.13600 1.000 C11 C 3.09400 -0.17500 -1.68300 1.000 N12 N 2.16200 -0.71200 -0.90800 1.000 C13 C 6.26100 2.31500 -0.33000 1.000 C14 C 6.52700 3.68800 -0.28500 1.000 C15 C 6.62900 4.33200 0.92800 1.000 C16 C 6.47500 3.62800 2.11100 1.000 C17 C 6.19900 2.27500 2.08400 1.000 C18 C 6.07500 1.61400 0.87000 1.000 N19 N 5.71300 0.27100 0.84500 1.000 C20 C 6.56800 -0.74300 1.46700 1.000 C21 C 4.53100 -0.09300 0.22500 1.000 N22 N 3.55800 -0.65300 0.93600 1.000 C23 C 2.39700 -0.95300 0.37200 1.000 N24 N 1.40200 -1.53600 1.14300 1.000 C25 C -4.16300 0.03300 -0.83400 1.000 C26 C -5.28300 0.61500 0.03400 1.000 C27 C -5.84400 -1.50300 -1.93300 1.000 C28 C -6.94600 -0.90300 -1.05300 1.000 C29 C -6.60400 0.55400 -0.73700 1.000 C30 C 7.89800 -1.05700 -0.62400 1.000 C31 C 7.01200 -1.75500 0.41000 1.000 O32 O -0.18300 -3.63200 2.02800 1.000 C33 C -1.04100 -4.69500 2.44600 1.000 C34 C -3.73400 -2.36800 -1.04400 1.000 O35 O -4.10400 -3.49300 -1.31900 1.000 N36 N -4.55000 -1.31800 -1.26300 1.000 N37 N -7.67400 1.14200 0.07900 1.000 C38 C -8.97600 1.02200 -0.59300 1.000 C39 C -10.07200 1.57300 0.32200 1.000 N40 N -9.77800 2.97600 0.64500 1.000 C41 C -8.47600 3.09600 1.31700 1.000 C42 C -7.38000 2.54500 0.40300 1.000 C43 C -10.84800 3.56300 1.46100 1.000 C44 C 5.78600 -1.46400 2.56700 1.000 H45 H -2.52000 -3.82600 0.87700 1.000 H46 H 0.26400 -0.07400 -0.73700 1.000 H47 H -1.96700 -0.43800 -1.69800 1.000 H48 H 6.27800 0.59300 -3.81900 1.000 H49 H 5.67000 -0.96800 -3.21700 1.000 H50 H 4.53100 0.25100 -3.83800 1.000 H51 H 2.89400 0.01500 -2.72700 1.000 H52 H 6.65200 4.24300 -1.20300 1.000 H53 H 6.83200 5.39200 0.95800 1.000 H54 H 6.57000 4.13900 3.05800 1.000 H55 H 6.08000 1.73000 3.00900 1.000 H56 H 7.44500 -0.26200 1.90100 1.000 H57 H 1.58900 -1.79900 2.05800 1.000 H58 H -4.01300 0.66500 -1.71000 1.000 H59 H -3.24100 -0.01800 -0.25500 1.000 H60 H -5.37100 0.03500 0.95200 1.000 H61 H -5.05200 1.65100 0.27900 1.000 H62 H -6.03200 -2.56700 -2.07900 1.000 H63 H -5.83300 -0.99800 -2.89900 1.000 H64 H -7.89800 -0.94700 -1.58200 1.000 H65 H -7.01800 -1.47000 -0.12500 1.000 H66 H -6.50800 1.11500 -1.66800 1.000 H67 H 8.77500 -0.64100 -0.12900 1.000 H68 H 8.21400 -1.77800 -1.37800 1.000 H69 H 7.33600 -0.25500 -1.10200 1.000 H70 H 7.57400 -2.55700 0.88800 1.000 H71 H 6.13500 -2.17100 -0.08600 1.000 H72 H -1.96800 -4.27900 2.84200 1.000 H73 H -1.26600 -5.33700 1.59500 1.000 H74 H -0.54500 -5.27900 3.22100 1.000 H75 H -8.95900 1.59000 -1.52300 1.000 H76 H -9.17700 -0.02700 -0.81100 1.000 H77 H -11.03500 1.51100 -0.18600 1.000 H78 H -10.10700 0.98700 1.24000 1.000 H79 H -8.27500 4.14500 1.53500 1.000 H80 H -8.49400 2.52800 2.24700 1.000 H81 H -6.41800 2.60700 0.91000 1.000 H82 H -7.34500 3.13100 -0.51600 1.000 H83 H -10.94500 3.00300 2.39100 1.000 H84 H -10.60500 4.60200 1.68600 1.000 H85 H -11.78900 3.52200 0.91200 1.000 H86 H 4.90900 -1.94500 2.13400 1.000 H87 H 6.42300 -2.21800 3.03000 1.000 H88 H 5.47000 -0.74300 3.32100 1.000