# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9JY' 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 6.95800 -1.75700 -0.33900 1.000 C1 C 4.64300 -0.43600 2.05800 1.000 C2 C 3.25000 0.03900 2.48300 1.000 O3 O 4.52200 -1.88500 -1.42100 1.000 O4 O 1.04300 4.13900 -2.12700 1.000 C5 C -3.48700 1.32400 1.14200 1.000 C6 C -3.85300 -0.45200 -0.60300 1.000 C7 C -3.01900 -0.88500 -1.61200 1.000 C8 C -1.95900 0.67500 -0.54400 1.000 C9 C -5.21000 -0.95400 -0.30400 1.000 C10 C -6.10600 -0.16400 0.42000 1.000 C11 C -7.37200 -0.63800 0.69500 1.000 C12 C -7.75400 -1.89300 0.25600 1.000 C13 C -9.13900 -2.40500 0.56000 1.000 C14 C -6.87200 -2.68100 -0.46200 1.000 C15 C -5.60500 -2.21700 -0.74900 1.000 C16 C 4.30400 0.64900 -0.20100 1.000 S17 S 5.16100 -1.92800 -0.15300 1.000 O18 O 4.85300 -2.94700 0.78900 1.000 C19 C 7.52100 -3.00400 -1.02300 1.000 N20 N 4.68800 -0.52700 0.59200 1.000 C21 C 2.91100 1.11600 0.25300 1.000 C22 C 2.92100 1.35000 1.76500 1.000 C23 C 2.54900 2.41900 -0.46300 1.000 C24 C 1.11600 2.81700 -0.10500 1.000 C25 C 0.79700 4.18100 -0.72000 1.000 N26 N 0.18500 1.81500 -0.63100 1.000 C27 C -1.05600 1.64300 -0.03900 1.000 N28 N -3.17900 0.53300 0.06700 1.000 C29 C -2.59600 2.23400 1.58400 1.000 N30 N -1.40500 2.38200 0.99500 1.000 N31 N -1.89000 -0.18600 -1.54600 1.000 H32 H 7.17800 -0.87800 -0.94700 1.000 H33 H 7.41600 -1.64300 0.64300 1.000 H34 H 5.39300 0.27600 2.40300 1.000 H35 H 4.84300 -1.41600 2.49100 1.000 H36 H 2.51100 -0.71700 2.21800 1.000 H37 H 3.23500 0.20000 3.56100 1.000 H38 H 0.86100 4.97200 -2.58300 1.000 H39 H -4.44400 1.22200 1.63200 1.000 H40 H -3.24300 -1.65800 -2.33100 1.000 H41 H -5.80800 0.81500 0.76400 1.000 H42 H -8.06500 -0.02900 1.25500 1.000 H43 H -9.81700 -2.11600 -0.24300 1.000 H44 H -9.11500 -3.49100 0.64300 1.000 H45 H -9.48600 -1.97700 1.50000 1.000 H46 H -7.17700 -3.66000 -0.80200 1.000 H47 H -4.91800 -2.83100 -1.31300 1.000 H48 H 5.02700 1.45000 -0.04000 1.000 H49 H 4.28000 0.38600 -1.25800 1.000 H50 H 7.06300 -3.11800 -2.00600 1.000 H51 H 8.60000 -2.90100 -1.13600 1.000 H52 H 7.30100 -3.88200 -0.41600 1.000 H53 H 2.17500 0.35000 0.00800 1.000 H54 H 1.94100 1.70400 2.08500 1.000 H55 H 3.67500 2.09700 2.01200 1.000 H56 H 3.23400 3.20700 -0.15000 1.000 H57 H 2.62800 2.27600 -1.54100 1.000 H58 H 1.01500 2.87400 0.97800 1.000 H59 H 1.43000 4.94200 -0.26300 1.000 H60 H -0.25000 4.42500 -0.54000 1.000 H61 H 0.43800 1.27200 -1.39400 1.000 H62 H -2.84900 2.85700 2.42900 1.000