# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9ER' 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 -1.95200 2.83500 2.57900 1.000 C1 C -1.51300 1.43100 2.15800 1.000 C2 C -1.47300 0.51900 3.38600 1.000 C3 C -2.49100 0.87900 1.15400 1.000 C4 C -3.80300 0.65400 1.51800 1.000 C5 C -4.70200 0.14700 0.59800 1.000 C6 C -6.13400 -0.09600 1.00200 1.000 C7 C -7.06200 0.74600 0.12300 1.000 C8 C -6.46900 -1.57800 0.82500 1.000 C9 C -4.29300 -0.13800 -0.69300 1.000 C10 C -2.98400 0.08300 -1.06900 1.000 C11 C -2.53900 -0.22800 -2.47400 1.000 C12 C -2.88400 -1.68100 -2.80900 1.000 C13 C -3.25500 0.70500 -3.45400 1.000 C14 C -2.07400 0.59900 -0.14700 1.000 C15 C -0.66600 0.83800 -0.54400 1.000 N16 N 0.36000 0.27500 0.09200 1.000 C17 C -0.33500 1.63400 -1.57600 1.000 S18 S 1.42100 1.65400 -1.71800 1.000 C19 C 1.54800 0.55900 -0.34500 1.000 N20 N 2.73300 0.07300 0.18400 1.000 C21 C 4.01500 0.47100 -0.40400 1.000 C22 C 4.52200 1.73700 0.28900 1.000 N23 N 5.80800 2.13600 -0.30100 1.000 C24 C 6.21100 3.46800 0.16800 1.000 C25 C 6.84900 1.14000 -0.01500 1.000 C26 C 2.70400 -0.83700 1.33100 1.000 C27 C 2.63300 -2.26000 0.84100 1.000 C28 C 1.40600 -2.86700 0.62100 1.000 C29 C 1.38900 -4.17800 0.17000 1.000 C30 C 2.58800 -4.83200 -0.04300 1.000 N31 N 3.73700 -4.22400 0.17800 1.000 C32 C 3.79100 -2.97600 0.60100 1.000 H33 H -1.24400 3.23400 3.30500 1.000 H34 H -1.98000 3.48400 1.70400 1.000 H35 H -2.94400 2.78600 3.02800 1.000 H36 H -0.52000 1.48000 1.70900 1.000 H37 H -2.46500 0.47000 3.83500 1.000 H38 H -1.16000 -0.48100 3.08600 1.000 H39 H -0.76500 0.91900 4.11200 1.000 H40 H -4.12800 0.87500 2.52400 1.000 H41 H -6.26900 0.18500 2.04600 1.000 H42 H -6.92600 0.46500 -0.92200 1.000 H43 H -8.09700 0.57000 0.41500 1.000 H44 H -6.82300 1.80100 0.24900 1.000 H45 H -5.80800 -2.17800 1.45100 1.000 H46 H -7.50500 -1.75400 1.11700 1.000 H47 H -6.33400 -1.85900 -0.22000 1.000 H48 H -4.99800 -0.53800 -1.40600 1.000 H49 H -1.46200 -0.08200 -2.55600 1.000 H50 H -3.96100 -1.82700 -2.72800 1.000 H51 H -2.56200 -1.90600 -3.82600 1.000 H52 H -2.37400 -2.34500 -2.11100 1.000 H53 H -4.33200 0.55900 -3.37200 1.000 H54 H -3.01000 1.73900 -3.21500 1.000 H55 H -2.93400 0.48000 -4.47100 1.000 H56 H -1.02700 2.16900 -2.20900 1.000 H57 H 4.74000 -0.33200 -0.27000 1.000 H58 H 3.88100 0.66700 -1.46800 1.000 H59 H 3.79700 2.54000 0.15500 1.000 H60 H 4.65500 1.54100 1.35300 1.000 H61 H 6.31200 3.45700 1.25300 1.000 H62 H 7.16600 3.73900 -0.28300 1.000 H63 H 5.45400 4.19800 -0.11800 1.000 H64 H 6.55600 0.17700 -0.43400 1.000 H65 H 7.79000 1.45900 -0.46200 1.000 H66 H 6.97400 1.04400 1.06400 1.000 H67 H 3.60700 -0.70200 1.92500 1.000 H68 H 1.82900 -0.62100 1.94500 1.000 H69 H 0.48500 -2.33100 0.79600 1.000 H70 H 0.45200 -4.68200 -0.01200 1.000 H71 H 2.58400 -5.85300 -0.39400 1.000 H72 H 4.75100 -2.50900 0.76500 1.000