# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '04M' 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 -14.42400 1.81000 0.76000 1.000 O1 O 2.55300 2.44300 -2.60200 1.000 O2 O 6.32400 2.35200 0.62400 1.000 O3 O 6.26200 0.70300 2.50200 1.000 O4 O 0.77200 1.17600 -2.21400 1.000 C5 C -2.88600 -2.95900 -1.50800 1.000 C6 C -1.61200 -2.71800 -1.03000 1.000 C7 C -3.95600 -2.23100 -1.02300 1.000 C8 C 3.79700 -0.37700 1.40800 1.000 C9 C 2.50900 -0.73700 1.06700 1.000 C10 C -2.47100 -1.01800 0.42100 1.000 C11 C 3.86100 1.20500 -0.39200 1.000 C12 C -13.37500 0.90900 0.10500 1.000 C13 C -11.99600 1.22700 0.68600 1.000 C14 C -10.94700 0.32500 0.03100 1.000 C15 C -9.56800 0.64400 0.61100 1.000 C16 C -8.51900 -0.25800 -0.04300 1.000 C17 C -7.13900 0.06000 0.53700 1.000 C18 C -6.09100 -0.84100 -0.11700 1.000 C19 C 9.10600 -1.31600 0.75800 1.000 C20 C 9.16700 0.26600 -1.04600 1.000 C21 C -0.01400 -1.48900 0.45400 1.000 C22 C 7.57800 -1.24000 0.85600 1.000 C23 C 7.64000 0.42300 -1.04000 1.000 O24 O 9.50600 -1.04500 -0.58700 1.000 O25 O -4.80200 -0.54400 0.42400 1.000 O26 O 0.61500 -0.48700 -0.34900 1.000 C27 C 1.90200 1.49400 -1.90100 1.000 C28 C -1.40400 -1.74800 -0.06600 1.000 C29 C -3.75100 -1.26100 -0.05300 1.000 C30 C 4.47000 0.59100 0.68100 1.000 C31 C 1.88100 -0.13400 -0.01300 1.000 C32 C 2.56100 0.84200 -0.75500 1.000 N33 N 7.14000 0.04600 0.29100 1.000 S34 S 6.11400 1.04000 1.13000 1.000 H35 H -15.40700 1.58400 0.34600 1.000 H36 H -14.43400 1.63500 1.83600 1.000 H37 H -14.18000 2.85400 0.56300 1.000 H38 H 2.08000 2.84200 -3.34500 1.000 H39 H -3.04600 -3.71400 -2.26300 1.000 H40 H -0.77700 -3.28900 -1.40900 1.000 H41 H -4.95100 -2.41700 -1.40000 1.000 H42 H 4.28200 -0.84900 2.25000 1.000 H43 H 1.99000 -1.49000 1.64100 1.000 H44 H -2.30900 -0.26300 1.17600 1.000 H45 H 4.38600 1.96500 -0.95100 1.000 H46 H -13.62000 -0.13500 0.30200 1.000 H47 H -13.36600 1.08400 -0.97000 1.000 H48 H -11.75100 2.27100 0.48900 1.000 H49 H -12.00500 1.05200 1.76100 1.000 H50 H -11.19200 -0.71900 0.22700 1.000 H51 H -10.93800 0.50000 -1.04500 1.000 H52 H -9.32300 1.68800 0.41500 1.000 H53 H -9.57700 0.46900 1.68700 1.000 H54 H -8.76400 -1.30200 0.15300 1.000 H55 H -8.51000 -0.08300 -1.11900 1.000 H56 H -6.89500 1.10400 0.34100 1.000 H57 H -7.14900 -0.11500 1.61300 1.000 H58 H -6.33500 -1.88500 0.07900 1.000 H59 H -6.08200 -0.66600 -1.19300 1.000 H60 H 9.55000 -0.57800 1.42600 1.000 H61 H 9.44000 -2.31300 1.04300 1.000 H62 H 9.54500 0.40600 -2.05900 1.000 H63 H 9.61300 1.01000 -0.38600 1.000 H64 H 0.56900 -2.40900 0.40900 1.000 H65 H -0.07000 -1.14400 1.48600 1.000 H66 H 7.13300 -2.05900 0.29100 1.000 H67 H 7.27300 -1.30600 1.90000 1.000 H68 H 7.37700 1.46000 -1.25200 1.000 H69 H 7.20100 -0.22900 -1.79500 1.000