# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0US' 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 5.68700 2.49400 -4.22500 1.000 C1 C 6.27200 2.83900 -3.10500 1.000 C2 C 5.80800 2.24700 -1.79900 1.000 N3 N 6.94400 1.62600 -1.11400 1.000 S4 S 6.82700 1.22600 0.48900 1.000 O5 O 8.06300 0.62100 0.84300 1.000 O6 O 6.30300 2.37000 1.15000 1.000 C7 C 5.60000 -0.03100 0.62400 1.000 C8 C 4.27900 0.31400 0.81800 1.000 C9 C 5.96400 -1.36300 0.53000 1.000 C10 C 5.00700 -2.35700 0.63500 1.000 C11 C 3.68300 -2.02600 0.83500 1.000 C12 C 3.30900 -0.68400 0.92500 1.000 C13 C 1.89100 -0.32200 1.13400 1.000 O14 O 1.58100 0.84000 1.31000 1.000 N15 N 0.94300 -1.27900 1.12800 1.000 C16 C -0.39300 -0.93100 1.21700 1.000 N17 N -0.84100 0.28200 1.42000 1.000 C18 C -2.20000 0.26700 1.45200 1.000 C19 C -3.16700 1.25900 1.63200 1.000 C20 C -4.50200 0.92300 1.61300 1.000 C21 C -5.54500 1.99400 1.80700 1.000 N22 N -5.91800 2.55600 0.50200 1.000 C23 C -6.59100 1.55200 -0.33100 1.000 C24 C -6.83400 2.12700 -1.72800 1.000 C25 C -7.69800 3.38500 -1.61500 1.000 C26 C -6.99700 4.39600 -0.70300 1.000 C27 C -6.75000 3.75600 0.66500 1.000 C28 C -4.89500 -0.39300 1.41500 1.000 C29 C -3.95200 -1.38300 1.23600 1.000 C30 C -2.60300 -1.06400 1.25200 1.000 N31 N -1.44000 -1.79900 1.10100 1.000 C32 C -1.34900 -3.24200 0.86100 1.000 C33 C -2.73200 -3.78700 0.49900 1.000 C34 C -3.23900 -3.09100 -0.76600 1.000 C35 C -0.37800 -3.50800 -0.29100 1.000 C36 C -0.88500 -2.81200 -1.55600 1.000 C37 C -2.26800 -3.35700 -1.91800 1.000 C38 C -2.77500 -2.66100 -3.18300 1.000 O39 O -3.99700 -3.27000 -3.60500 1.000 H40 H 4.87200 1.78600 -4.21300 1.000 H41 H 6.01600 2.92200 -5.16100 1.000 H42 H 7.08600 3.54800 -3.11700 1.000 H43 H 5.39100 3.03400 -1.17100 1.000 H44 H 5.04500 1.49300 -1.99300 1.000 H45 H 7.76600 1.44900 -1.59900 1.000 H46 H 3.99600 1.35400 0.88700 1.000 H47 H 6.99900 -1.62800 0.37300 1.000 H48 H 5.29800 -3.39500 0.56000 1.000 H49 H 2.93700 -2.80300 0.91600 1.000 H50 H 1.19700 -2.21300 1.06200 1.000 H51 H -2.86800 2.28500 1.78700 1.000 H52 H -6.42600 1.56100 2.28100 1.000 H53 H -5.14200 2.78300 2.44100 1.000 H54 H -5.96400 0.66400 -0.40700 1.000 H55 H -7.54600 1.28500 0.12300 1.000 H56 H -5.87900 2.38100 -2.18800 1.000 H57 H -7.34800 1.38700 -2.34200 1.000 H58 H -7.83800 3.82200 -2.60300 1.000 H59 H -8.66800 3.12400 -1.19100 1.000 H60 H -6.04400 4.68600 -1.14600 1.000 H61 H -7.62700 5.27800 -0.58400 1.000 H62 H -7.70300 3.47800 1.11400 1.000 H63 H -6.23700 4.46800 1.31200 1.000 H64 H -5.94500 -0.64300 1.40200 1.000 H65 H -4.26400 -2.40600 1.08400 1.000 H66 H -0.98800 -3.73800 1.76300 1.000 H67 H -2.66500 -4.86000 0.32100 1.000 H68 H -3.42400 -3.59700 1.32000 1.000 H69 H -4.22400 -3.47900 -1.02400 1.000 H70 H -3.30600 -2.01800 -0.58800 1.000 H71 H 0.60700 -3.12000 -0.03200 1.000 H72 H -0.31100 -4.58100 -0.46900 1.000 H73 H -0.95200 -1.73900 -1.37800 1.000 H74 H -0.19300 -3.00100 -2.37600 1.000 H75 H -2.20000 -4.43000 -2.09600 1.000 H76 H -2.94800 -1.60600 -2.97200 1.000 H77 H -2.03000 -2.75600 -3.97300 1.000 H78 H -4.33700 -2.93000 -4.44400 1.000