# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J28' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S0 S 3.87900 -1.30300 -0.06700 1.000 N1 N -0.69700 0.99200 -0.00400 1.000 N2 N -1.23200 -0.18100 -0.02200 1.000 C3 C -2.58800 -0.31100 -0.01700 1.000 C4 C 0.66400 1.12300 -0.00800 1.000 O5 O -6.70400 -0.70000 -0.00200 1.000 C6 C 3.42100 1.38800 -0.01800 1.000 N7 N -2.37400 -2.72600 -0.06000 1.000 C8 C -5.64800 1.91500 0.04500 1.000 C9 C 4.92100 1.53200 -0.02300 1.000 C10 C 0.37800 3.62400 0.02500 1.000 O11 O 4.15000 -1.69400 1.37800 1.000 C12 C -5.35200 -0.57600 -0.00600 1.000 O13 O 5.12500 -0.88900 -0.61200 1.000 O14 O 3.09600 -2.34900 -0.62600 1.000 C15 C -3.17500 -1.58900 -0.03600 1.000 C16 C -3.40300 0.82500 0.01300 1.000 C17 C -4.55600 -1.71100 -0.03100 1.000 C18 C -4.77200 0.68900 0.01800 1.000 C19 C 1.47800 -0.01200 -0.03200 1.000 C20 C 1.24800 2.39300 0.00500 1.000 C21 C 2.85100 0.12700 -0.03700 1.000 C22 C 2.62100 2.51700 -0.00000 1.000 H23 H -7.09100 -0.75100 0.88300 1.000 H24 H 4.71200 -2.47500 1.47600 1.000 H25 H -2.95800 1.80900 0.03300 1.000 H26 H -5.01100 -2.69000 -0.05000 1.000 H27 H 1.03400 -0.99700 -0.04700 1.000 H28 H 3.07300 3.49800 0.01400 1.000 H29 H -1.40800 -2.63800 -0.06400 1.000 H30 H -2.78100 -3.60600 -0.07300 1.000 H31 H -5.85700 2.19000 1.07900 1.000 H32 H -5.13600 2.73800 -0.45400 1.000 H33 H -6.58400 1.70400 -0.47200 1.000 H34 H 5.27800 1.58400 -1.05200 1.000 H35 H 5.20100 2.44400 0.50500 1.000 H36 H 5.37100 0.67200 0.47300 1.000 H37 H 0.17400 3.90700 1.05800 1.000 H38 H 0.89300 4.44000 -0.48100 1.000 H39 H -0.56100 3.41300 -0.48700 1.000