# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9ML' 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 3.00200 0.57700 0.42600 1.000 C1 C -3.31300 0.10400 2.02900 1.000 C2 C -3.45300 1.60500 1.76500 1.000 C3 C -1.43700 3.18500 -1.59700 1.000 C4 C -1.40000 2.54500 0.69700 1.000 C5 C -2.72500 2.17300 0.57400 1.000 C6 C -2.76300 2.79600 -1.64300 1.000 C7 C 6.33100 -0.77500 0.62900 1.000 N8 N -3.36100 2.30900 -0.57300 1.000 C9 C -1.12300 -0.37900 0.92300 1.000 C10 C -0.33200 -1.11900 0.04700 1.000 C11 C 3.78400 -0.16900 -0.43700 1.000 C12 C 1.89600 -1.53100 -0.99500 1.000 O13 O 5.57400 1.60300 -0.31300 1.000 S14 S 5.49100 0.22100 -0.63300 1.000 O15 O 5.81100 -0.25000 -1.93400 1.000 C16 C 7.83800 -0.52100 0.56000 1.000 O17 O 8.50000 -1.30600 1.55400 1.000 C18 C 3.23200 -1.22100 -1.14500 1.000 C19 C 1.10500 -0.79000 -0.11900 1.000 C20 C 1.66500 0.27100 0.58800 1.000 C21 C -2.45800 -0.69200 1.07700 1.000 C22 C -3.01300 -1.73700 0.36100 1.000 C23 C -4.47100 -2.07500 0.53300 1.000 C24 C -5.31200 -1.18900 -0.38700 1.000 C25 C -6.79300 -1.53200 -0.21200 1.000 C26 C -7.63500 -0.64600 -1.13200 1.000 C27 C -9.11500 -0.98900 -0.95700 1.000 C28 C -2.23400 -2.47300 -0.51500 1.000 C29 C -0.89700 -2.17100 -0.67300 1.000 C30 C -2.60700 1.11000 2.94000 1.000 C31 C -0.73700 3.05600 -0.40800 1.000 H32 H 3.43800 1.39700 0.97700 1.000 H33 H -4.18000 -0.41900 2.43200 1.000 H34 H -4.41200 2.06900 1.99600 1.000 H35 H -0.95200 3.57900 -2.47800 1.000 H36 H -0.88500 2.43100 1.64000 1.000 H37 H -3.31600 2.89300 -2.56600 1.000 H38 H 5.96100 -0.49800 1.61700 1.000 H39 H 6.13200 -1.83200 0.45000 1.000 H40 H -0.69000 0.43700 1.48300 1.000 H41 H 1.46500 -2.35200 -1.55000 1.000 H42 H 8.20800 -0.79800 -0.42700 1.000 H43 H 8.03800 0.53500 0.73900 1.000 H44 H 9.46100 -1.19500 1.56800 1.000 H45 H 3.84800 -1.80000 -1.81800 1.000 H46 H 1.05500 0.85400 1.26200 1.000 H47 H -4.63400 -3.12200 0.27800 1.000 H48 H -4.76300 -1.90400 1.56900 1.000 H49 H -5.14900 -0.14200 -0.13200 1.000 H50 H -5.02000 -1.36000 -1.42300 1.000 H51 H -6.95600 -2.57900 -0.46700 1.000 H52 H -7.08500 -1.36100 0.82400 1.000 H53 H -7.47200 0.40100 -0.87700 1.000 H54 H -7.34200 -0.81700 -2.16800 1.000 H55 H -9.27800 -2.03600 -1.21200 1.000 H56 H -9.40800 -0.81800 0.07900 1.000 H57 H -9.71500 -0.35800 -1.61200 1.000 H58 H -2.67200 -3.28700 -1.07200 1.000 H59 H -0.28900 -2.74600 -1.35700 1.000 H60 H -3.00900 1.24900 3.94400 1.000 H61 H -1.52400 1.19600 2.85200 1.000 H62 H 0.30100 3.34800 -0.34400 1.000