# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '00N' 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 -0.59400 0.52100 -1.72300 1.000 N1 N -2.73900 1.40000 -1.89100 1.000 O2 O -1.71800 -1.28100 0.09700 1.000 C3 C -0.58200 1.62400 -2.80800 1.000 N4 N -1.99300 0.42500 -1.27500 1.000 O5 O -0.17900 1.09300 0.52800 1.000 C6 C -2.08700 1.68400 -3.19300 1.000 N7 N -4.07300 -0.39900 1.40600 1.000 C8 C -4.11200 0.91700 -2.09100 1.000 C9 C -4.72100 0.57900 -0.73100 1.000 C10 C -3.93400 -0.53500 -0.05000 1.000 C11 C -2.47800 -0.48200 -0.40800 1.000 C12 C 0.29700 0.90900 -0.57200 1.000 C13 C -4.50600 -1.88600 -0.48200 1.000 C14 C -3.81600 -2.99000 0.27900 1.000 C15 C -4.32900 -3.42000 1.48800 1.000 C16 C -3.69600 -4.43200 2.18600 1.000 C17 C -2.55100 -5.01300 1.67500 1.000 C18 C -2.03900 -4.58300 0.46500 1.000 C19 C -2.67400 -3.57500 -0.23500 1.000 C20 C 2.49500 2.95300 0.50400 1.000 N21 N 1.62300 1.05300 -0.76500 1.000 O22 O 3.34000 3.32200 1.59600 1.000 C23 C 2.48900 1.43100 0.35500 1.000 C24 C 3.91300 0.93900 0.08600 1.000 C25 C 5.35300 -1.08200 -0.20700 1.000 N26 N 5.36700 -2.54600 -0.23100 1.000 C27 C 3.92900 -0.59000 0.06100 1.000 C28 C 6.54500 -3.21800 -0.45800 1.000 C29 C 1.09200 3.43700 0.76800 1.000 N30 N 0.34100 4.03100 -0.09600 1.000 S31 S 0.26400 3.27200 2.25500 1.000 C32 C -0.86300 4.39000 0.30100 1.000 C33 C -1.14400 4.08000 1.57100 1.000 N34 N 6.55900 -4.52100 -0.47900 1.000 N35 N 7.70900 -2.51600 -0.66100 1.000 H36 H -0.26800 -0.42900 -2.14800 1.000 H37 H -0.24500 2.57500 -2.39700 1.000 H38 H 0.02900 1.32900 -3.66100 1.000 H39 H -2.33200 0.91900 -3.92900 1.000 H40 H -2.35700 2.67500 -3.55800 1.000 H41 H -3.56200 -1.12300 1.88800 1.000 H42 H -3.78000 0.51600 1.71400 1.000 H43 H -4.70500 1.69400 -2.57400 1.000 H44 H -4.09700 0.02500 -2.71700 1.000 H45 H -4.70600 1.46700 -0.10000 1.000 H46 H -5.75300 0.25500 -0.87000 1.000 H47 H -5.57500 -1.91300 -0.27100 1.000 H48 H -4.34300 -2.02500 -1.55100 1.000 H49 H -5.22300 -2.96600 1.88800 1.000 H50 H -4.09700 -4.76800 3.13100 1.000 H51 H -2.05700 -5.80400 2.22000 1.000 H52 H -1.14400 -5.03700 0.06600 1.000 H53 H -2.27600 -3.24200 -1.18300 1.000 H54 H 2.00400 0.90600 -1.64400 1.000 H55 H 2.11600 0.97700 1.27300 1.000 H56 H 4.25400 1.32200 -0.87600 1.000 H57 H 4.57600 1.29600 0.87500 1.000 H58 H 6.01500 -0.72400 0.58100 1.000 H59 H 5.69400 -0.69900 -1.16900 1.000 H60 H 4.54600 -3.04200 -0.08800 1.000 H61 H 3.58800 -0.97300 1.02300 1.000 H62 H 3.26600 -0.94700 -0.72700 1.000 H63 H -1.56700 4.89300 -0.34700 1.000 H64 H -2.07100 4.28500 2.08500 1.000 H65 H 7.39000 -4.99500 -0.63900 1.000 H66 H 7.70000 -1.54600 -0.64500 1.000 H67 H 8.54100 -2.99000 -0.82000 1.000 H68 H 2.86900 3.40700 -0.41400 1.000 H69 H 3.06600 2.95300 2.44700 1.000