# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0K0' 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 -1.53800 -0.14400 0.48200 1.000 C1 C -2.91200 -0.34300 0.58600 1.000 C2 C -1.01500 1.14500 0.56800 1.000 C3 C -3.75400 0.74400 0.76900 1.000 C4 C -1.86000 2.22200 0.75000 1.000 C5 C -3.22400 2.02700 0.84800 1.000 C6 C -0.63200 -1.30200 0.28600 1.000 C7 C -1.16000 -2.59400 0.20000 1.000 N8 N -0.35900 -3.62800 0.02600 1.000 C9 C 1.48800 -2.14800 0.01700 1.000 C10 C 0.95400 -3.44500 -0.06800 1.000 O11 O 3.67900 -2.87600 -0.33600 1.000 C12 C 4.91400 -0.50400 0.01400 1.000 C13 C 5.23700 0.96900 0.27300 1.000 C14 C 6.75500 1.16300 0.29400 1.000 C15 C 4.63600 1.82900 -0.84300 1.000 C16 C 5.01400 3.29300 -0.61100 1.000 N17 N 6.47700 3.42700 -0.60000 1.000 O18 O -7.42800 0.62200 0.06700 1.000 C19 C -5.62700 -0.21100 -1.71700 1.000 O20 O -5.76200 2.26600 -0.73400 1.000 S21 S -6.12200 0.93300 -0.39900 1.000 N22 N -5.13300 0.55000 0.87300 1.000 N23 N 0.67600 -1.11000 0.18700 1.000 N24 N 1.79300 -4.52900 -0.24500 1.000 C25 C 2.94700 -1.93900 -0.08100 1.000 N26 N 3.46700 -0.71100 0.11100 1.000 C27 C 7.07200 2.64700 0.49300 1.000 H28 H -3.32200 -1.34000 0.52400 1.000 H29 H 0.05100 1.30200 0.49300 1.000 H30 H -1.45300 3.22000 0.81700 1.000 H31 H -3.88100 2.87300 0.99000 1.000 H32 H -2.22600 -2.74700 0.27600 1.000 H33 H 5.25400 -0.78000 -0.98400 1.000 H34 H 5.42000 -1.12300 0.75400 1.000 H35 H 4.81700 1.27100 1.23200 1.000 H36 H 7.18400 0.58700 1.11400 1.000 H37 H 7.17900 0.82400 -0.65100 1.000 H38 H 5.02700 1.50000 -1.80600 1.000 H39 H 3.55100 1.72700 -0.83600 1.000 H40 H 4.60000 3.90600 -1.41200 1.000 H41 H 4.61100 3.62500 0.34600 1.000 H42 H 6.87100 3.16200 -1.49000 1.000 H43 H -6.29200 -0.08900 -2.57200 1.000 H44 H -4.60300 0.00500 -2.01900 1.000 H45 H -5.69000 -1.23500 -1.35100 1.000 H46 H -5.51200 0.19100 1.69100 1.000 H47 H 2.75500 -4.40700 -0.21700 1.000 H48 H 1.42000 -5.41100 -0.39600 1.000 H49 H 2.88200 0.03700 0.31400 1.000 H50 H 6.66000 2.98300 1.44500 1.000 H51 H 8.15300 2.79100 0.49500 1.000