# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '016' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 4.45500 0.08200 0.78400 1.000 O1 O 6.22500 1.65100 1.95100 1.000 C2 C 5.71300 0.20600 0.04200 1.000 C3 C 5.55100 1.17600 -1.10800 1.000 C4 C 4.52700 1.31300 -2.02900 1.000 C5 C 4.59600 2.28600 -3.00700 1.000 C6 C 6.80600 0.82300 0.94100 1.000 C7 C 6.64700 2.01700 -1.16700 1.000 C8 C 6.71500 2.99200 -2.14800 1.000 C9 C 5.69100 3.12700 -3.06600 1.000 C10 C 7.61900 1.66900 -0.06100 1.000 C11 C -2.85600 -0.18500 -0.32700 1.000 O12 O -3.35500 -0.96700 0.45500 1.000 C13 C -3.31300 1.25100 -0.35000 1.000 O14 O -4.33200 1.44300 0.63400 1.000 C15 C -4.85500 2.69200 0.74400 1.000 C16 C -4.28100 3.61200 1.60900 1.000 C17 C -3.07600 3.22700 2.42900 1.000 C18 C -4.81500 4.88100 1.71900 1.000 C19 C -5.92000 5.23500 0.96800 1.000 C20 C -6.49400 4.32000 0.10500 1.000 C21 C -5.96100 3.05100 -0.01300 1.000 C22 C -6.58300 2.05600 -0.95800 1.000 C23 C 0.79700 -2.96000 0.94300 1.000 N24 N 1.29600 -1.69700 0.36300 1.000 O25 O 3.76800 -1.57200 -0.52600 1.000 S26 S 1.02700 -2.69200 2.75000 1.000 C27 C 2.54700 -1.67400 2.53300 1.000 C28 C 3.79200 -2.55800 2.43800 1.000 C29 C 2.68900 -0.65100 3.66200 1.000 C30 C 2.25600 -0.97600 1.18500 1.000 C31 C 3.54700 -0.84500 0.41900 1.000 C32 C -1.45100 -1.99700 -1.15200 1.000 N33 N -1.89500 -0.60100 -1.17500 1.000 O34 O 0.00800 -1.60900 -3.03900 1.000 C35 C -2.38100 -2.84200 -2.02500 1.000 O36 O 1.26300 -0.16100 -1.23700 1.000 C37 C -3.76300 -2.85200 -1.42300 1.000 C38 C -4.68200 -1.88500 -1.78500 1.000 C39 C -5.94900 -1.89500 -1.23200 1.000 C40 C -6.29700 -2.87200 -0.31800 1.000 C41 C -5.37800 -3.84000 0.04200 1.000 C42 C -4.11300 -3.83300 -0.51400 1.000 C43 C -0.02300 -2.08700 -1.69300 1.000 C44 C 0.89100 -1.24500 -0.84000 1.000 H45 H 4.27800 0.66400 1.53900 1.000 H46 H 6.87000 2.06200 2.54200 1.000 H47 H 6.03200 -0.76900 -0.32500 1.000 H48 H 3.67100 0.65600 -1.98400 1.000 H49 H 3.79500 2.39100 -3.72400 1.000 H50 H 7.42400 0.04500 1.38800 1.000 H51 H 7.57000 3.65000 -2.19500 1.000 H52 H 5.74700 3.88900 -3.83000 1.000 H53 H 7.98500 2.57700 0.42000 1.000 H54 H 8.45200 1.08900 -0.45800 1.000 H55 H -2.46800 1.90400 -0.13100 1.000 H56 H -3.71000 1.49000 -1.33600 1.000 H57 H -2.16900 3.45900 1.87100 1.000 H58 H -3.08000 3.78500 3.36500 1.000 H59 H -3.10800 2.15800 2.64200 1.000 H60 H -4.36900 5.59800 2.39300 1.000 H61 H -6.33600 6.22800 1.05600 1.000 H62 H -7.35800 4.59900 -0.48100 1.000 H63 H -7.35400 1.49100 -0.43500 1.000 H64 H -7.03000 2.58500 -1.80000 1.000 H65 H -5.81600 1.37300 -1.32400 1.000 H66 H -0.25700 -3.10500 0.70500 1.000 H67 H 1.39000 -3.80700 0.59900 1.000 H68 H 3.68500 -3.24700 1.59900 1.000 H69 H 4.67100 -1.93300 2.28500 1.000 H70 H 3.90600 -3.12600 3.36200 1.000 H71 H 2.77600 -1.17200 4.61600 1.000 H72 H 3.58000 -0.04700 3.49500 1.000 H73 H 1.81100 -0.00500 3.68000 1.000 H74 H 1.86700 0.02200 1.38400 1.000 H75 H -1.47600 -2.36900 -0.12800 1.000 H76 H -1.49700 0.02500 -1.80000 1.000 H77 H -0.27700 -0.69000 -3.13700 1.000 H78 H -2.42500 -2.41600 -3.02800 1.000 H79 H -2.00100 -3.86200 -2.08000 1.000 H80 H -4.41000 -1.12100 -2.49800 1.000 H81 H -6.66700 -1.13800 -1.51400 1.000 H82 H -7.28700 -2.87900 0.11400 1.000 H83 H -5.65000 -4.60300 0.75700 1.000 H84 H -3.39500 -4.58900 -0.23300 1.000 H85 H 0.31000 -3.12400 -1.66800 1.000