# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '002' 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 -1.03600 0.29300 0.44700 1.000 C1 C -1.04100 1.80400 0.68500 1.000 C2 C -2.28800 2.19100 1.48200 1.000 C3 C -2.20100 1.59500 2.88800 1.000 C4 C 1.29800 -0.40000 0.52800 1.000 C5 C -2.20300 -0.08100 -0.43100 1.000 C6 C -4.57400 -0.54800 -0.74500 1.000 C7 C -5.70500 -1.02500 0.16800 1.000 C8 C 3.10200 1.74300 -0.05000 1.000 C9 C 3.05100 0.53900 -0.95400 1.000 C10 C -5.07200 0.57700 -1.61600 1.000 C11 C -1.04800 2.53300 -0.66000 1.000 N12 N 0.21400 -0.09400 -0.21200 1.000 O13 O -2.01600 -0.38800 -1.58900 1.000 O14 O -4.54600 1.66300 -1.55900 1.000 O15 O 3.49100 4.07900 0.30000 1.000 C16 C -5.22700 -2.22800 0.98400 1.000 C17 C -6.29500 -2.60100 2.01500 1.000 C18 C -4.98400 -3.41500 0.05000 1.000 N19 N 3.44300 2.94700 -0.54900 1.000 O20 O 2.83600 1.62900 1.12800 1.000 C21 C 2.61500 -0.68600 -0.14800 1.000 C22 C 3.67300 -1.00400 0.91100 1.000 O23 O 1.21500 -0.44600 1.73700 1.000 N24 N -3.45400 -0.07400 0.07100 1.000 O25 O -6.10100 0.37300 -2.45300 1.000 C26 C 4.94500 -1.44300 0.23300 1.000 C27 C 5.95500 -0.52800 0.00000 1.000 C28 C 7.12200 -0.93100 -0.62200 1.000 C29 C 7.28000 -2.24800 -1.01000 1.000 C30 C 6.27000 -3.16300 -0.77600 1.000 C31 C 5.10500 -2.76100 -0.15100 1.000 H32 H -1.12000 -0.22600 1.40200 1.000 H33 H -0.15000 2.08600 1.24600 1.000 H34 H -3.17500 1.80500 0.97800 1.000 H35 H -2.35300 3.27700 1.55100 1.000 H36 H -3.04100 1.94900 3.48600 1.000 H37 H -2.23300 0.50700 2.82500 1.000 H38 H -1.26700 1.90500 3.35600 1.000 H39 H -4.24100 -1.37300 -1.37400 1.000 H40 H -5.99200 -0.21900 0.84300 1.000 H41 H -6.56300 -1.31500 -0.43800 1.000 H42 H 4.03900 0.36100 -1.37900 1.000 H43 H 2.33700 0.71800 -1.75800 1.000 H44 H -0.96100 3.60600 -0.49300 1.000 H45 H -0.20800 2.18900 -1.26400 1.000 H46 H -1.98100 2.32100 -1.18200 1.000 H47 H 0.26100 -0.13000 -1.18000 1.000 H48 H 3.75300 4.83000 -0.24900 1.000 H49 H -4.30000 -1.97400 1.49700 1.000 H50 H -5.99400 -3.50900 2.53700 1.000 H51 H -6.40600 -1.78900 2.73300 1.000 H52 H -7.24500 -2.77000 1.50900 1.000 H53 H -4.22400 -3.14900 -0.68500 1.000 H54 H -4.64400 -4.27200 0.63100 1.000 H55 H -5.91100 -3.66900 -0.46300 1.000 H56 H 3.65600 3.03900 -1.49100 1.000 H57 H 2.50200 -1.54000 -0.81600 1.000 H58 H 3.86800 -0.11300 1.50800 1.000 H59 H 3.31100 -1.80300 1.55800 1.000 H60 H -3.61200 0.24500 0.97400 1.000 H61 H -6.42100 1.09400 -3.01200 1.000 H62 H 5.83200 0.50100 0.30300 1.000 H63 H 7.91100 -0.21600 -0.80400 1.000 H64 H 8.19100 -2.56300 -1.49600 1.000 H65 H 6.39300 -4.19200 -1.08000 1.000 H66 H 4.31600 -3.47600 0.03200 1.000