# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '7K9' 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 -3.53300 2.28900 1.87600 1.000 C1 C -4.46100 1.55500 0.90600 1.000 C2 C -5.78000 1.22800 1.61000 1.000 N3 N -6.66800 0.52500 0.68000 1.000 C4 C -7.89300 0.13500 1.08400 1.000 O5 O -8.26100 0.36600 2.22000 1.000 C6 C -8.78800 -0.57300 0.14900 1.000 C7 C -8.36800 -0.84100 -1.15800 1.000 C8 C -9.20600 -1.50200 -2.02900 1.000 C9 C -10.46600 -1.90400 -1.61700 1.000 C10 C -10.89600 -1.64700 -0.32700 1.000 O11 O -12.13500 -2.04500 0.06900 1.000 C12 C -10.05900 -0.98500 0.56600 1.000 O13 O -10.47500 -0.73500 1.83400 1.000 H14 H -3.33600 1.65500 2.74000 1.000 H15 H -4.65800 2.18900 0.04100 1.000 H16 H -5.58200 0.59300 2.47400 1.000 H17 H -6.37400 0.34000 -0.22500 1.000 H18 H -10.93200 0.11100 1.93800 1.000 N19 N -2.27100 2.60200 1.20200 1.000 C20 C -2.13100 3.76800 0.54100 1.000 C21 C -0.82400 4.13800 -0.03400 1.000 C22 C -1.16000 1.64800 1.24700 1.000 C23 C -1.18700 0.77400 -0.00800 1.000 C24 C -0.02700 -0.22200 0.03900 1.000 C25 C -0.05400 -1.09600 -1.21700 1.000 N26 N 1.05600 -2.05000 -1.17200 1.000 C27 C 0.88400 -3.25900 -0.60100 1.000 C28 C 1.96200 -4.26500 -0.66300 1.000 C29 C 2.35500 -1.69100 -1.74800 1.000 C30 C 3.26600 -1.14200 -0.64800 1.000 C31 C 4.62200 -0.76700 -1.24900 1.000 N32 N 5.49400 -0.24100 -0.19600 1.000 C33 C 6.74700 0.15600 -0.49500 1.000 C34 C 7.62600 0.68500 0.56500 1.000 C35 C 0.31500 4.17300 0.77600 1.000 C36 C 1.53400 4.52000 0.23600 1.000 C37 C 1.64000 4.83500 -1.10900 1.000 C38 C 0.52100 4.80500 -1.92400 1.000 C39 C -0.71600 4.45100 -1.39400 1.000 C40 C 7.16300 0.77600 1.88100 1.000 C41 C 7.98600 1.27100 2.86900 1.000 C42 C 9.27400 1.68100 2.56600 1.000 C43 C 9.74700 1.59700 1.26700 1.000 C44 C 8.92900 1.09400 0.26000 1.000 O45 O -3.08300 4.51500 0.41700 1.000 O46 O 7.15300 0.07900 -1.63900 1.000 O47 O -0.16000 -3.52000 -0.03500 1.000 C48 C 2.49700 -4.64600 -1.89700 1.000 C49 C 3.50300 -5.58600 -1.95000 1.000 C50 C 3.99000 -6.15700 -0.78600 1.000 C51 C 3.47000 -5.79000 0.44300 1.000 C52 C 2.45700 -4.83800 0.51400 1.000 O53 O -1.81500 4.42000 -2.19000 1.000 O54 O 0.63300 5.11600 -3.24300 1.000 O55 O 9.39000 1.01000 -1.01400 1.000 O56 O 11.01300 2.00200 0.97700 1.000 H57 H -0.21600 2.19100 1.29100 1.000 H58 H -1.25800 1.01800 2.13100 1.000 H59 H -2.13100 0.23100 -0.05300 1.000 H60 H -1.08900 1.40500 -0.89200 1.000 H61 H 0.91700 0.32100 0.08300 1.000 H62 H -0.12500 -0.85300 0.92200 1.000 H63 H -0.99800 -1.63900 -1.26100 1.000 H64 H 0.04400 -0.46600 -2.10100 1.000 H65 H 2.81200 -2.57500 -2.19200 1.000 H66 H 2.21300 -0.93000 -2.51600 1.000 H67 H 2.80800 -0.25800 -0.20400 1.000 H68 H 3.40700 -1.90300 0.12000 1.000 H69 H 5.08000 -1.65100 -1.69300 1.000 H70 H 4.48100 -0.00600 -2.01700 1.000 H71 H 5.17000 -0.17900 0.71600 1.000 H72 H 0.23900 3.92900 1.82600 1.000 H73 H 2.41200 4.54700 0.86500 1.000 H74 H 2.59900 5.10600 -1.52300 1.000 H75 H 6.15900 0.45800 2.12400 1.000 H76 H 7.62500 1.34000 3.88400 1.000 H77 H 9.91200 2.06900 3.34600 1.000 H78 H 2.12100 -4.20400 -2.80800 1.000 H79 H 3.91300 -5.87900 -2.90500 1.000 H80 H 4.77800 -6.89300 -0.83800 1.000 H81 H -1.97200 3.56300 -2.61000 1.000 H82 H 0.82400 4.35800 -3.81100 1.000 H83 H 9.82400 0.17100 -1.22100 1.000 H84 H 11.67700 1.30300 1.05500 1.000 O85 O 1.94600 -4.47400 1.71800 1.000 H86 H 2.40300 -3.73000 2.13200 1.000 O87 O 3.95200 -6.35600 1.58200 1.000 H88 H -4.00900 3.21300 2.20400 1.000 H89 H -3.98600 0.63100 0.57700 1.000 H90 H -6.25500 2.15200 1.93800 1.000 H91 H -7.38700 -0.53000 -1.48400 1.000 H92 H -8.87900 -1.70700 -3.03700 1.000 H93 H -11.11700 -2.42100 -2.30700 1.000 H94 H -12.16000 -2.93300 0.45000 1.000 H95 H 4.69500 -5.87700 1.97500 1.000