# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0CA' 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 1.18600 2.60400 0.83900 1.000 C1 C -3.67200 -4.08500 0.45100 1.000 C2 C 1.97400 1.52300 0.44900 1.000 C3 C -2.18900 3.35200 -0.33100 1.000 C4 C -3.50200 4.08000 -0.46700 1.000 C5 C -3.45900 0.40200 -1.23700 1.000 C6 C -4.74800 0.63800 -0.76200 1.000 C7 C -5.44500 -0.33500 -0.11400 1.000 C8 C -2.86000 -0.80800 -1.06600 1.000 C9 C -3.55000 -1.83800 -0.40100 1.000 C10 C -4.86100 -1.59800 0.08100 1.000 C11 C 1.48900 0.60300 -0.46900 1.000 N12 N 8.33500 -0.86300 -0.91200 1.000 C13 C 5.27300 -2.24300 0.52100 1.000 C14 C 3.95500 -2.07000 -0.24000 1.000 C15 C 3.51300 -0.60700 -0.16100 1.000 C16 C 4.57100 0.28300 -0.81800 1.000 C17 C 5.89600 0.13700 -0.06400 1.000 C18 C 7.48100 -1.71500 -0.44600 1.000 C19 C -2.96200 -3.09700 -0.20800 1.000 C20 C -3.05600 -5.41400 0.66400 1.000 N21 N -1.84900 -5.64900 0.23200 1.000 N22 N -3.75800 -6.40200 1.32000 1.000 C23 C -4.97100 -3.83500 0.92500 1.000 C24 C -5.55700 -2.62400 0.74700 1.000 C25 C -2.71700 1.50400 -1.94900 1.000 N26 N -1.85400 2.20700 -0.99700 1.000 C27 C -3.89800 4.67300 0.88700 1.000 C28 C -3.35700 5.20500 -1.49300 1.000 C29 C -1.17300 3.73300 0.46400 1.000 C30 C -0.10500 2.75200 0.29100 1.000 C31 C 1.69500 3.58000 1.81800 1.000 O32 O 2.92700 3.42900 2.34200 1.000 O33 O 1.00300 4.52100 2.15300 1.000 C34 C -0.58300 1.81200 -0.63900 1.000 C35 C 0.22300 0.74300 -1.01100 1.000 O36 O 2.26700 -0.44800 -0.84200 1.000 N37 N 6.25500 -1.28700 -0.01000 1.000 C38 C 7.83400 -3.17800 -0.38400 1.000 H39 H 2.96400 1.40100 0.86300 1.000 H40 H -4.27100 3.38300 -0.79800 1.000 H41 H -5.20000 1.60700 -0.91100 1.000 H42 H -6.44400 -0.13700 0.24800 1.000 H43 H -1.86100 -0.97700 -1.43900 1.000 H44 H 5.11200 -2.04900 1.58200 1.000 H45 H 5.64200 -3.26000 0.38700 1.000 H46 H 4.09700 -2.35100 -1.28300 1.000 H47 H 3.19100 -2.70500 0.20800 1.000 H48 H 3.39500 -0.31900 0.88400 1.000 H49 H 4.70700 -0.02000 -1.85600 1.000 H50 H 4.24400 1.32300 -0.78300 1.000 H51 H 6.67600 0.69100 -0.58600 1.000 H52 H 5.78500 0.52500 0.94900 1.000 H53 H -1.96400 -3.29400 -0.57000 1.000 H54 H -1.44600 -6.52000 0.37100 1.000 H55 H -4.65600 -6.22700 1.64200 1.000 H56 H -3.35400 -7.27300 1.45900 1.000 H57 H -5.51100 -4.61800 1.43800 1.000 H58 H -6.55600 -2.44700 1.11700 1.000 H59 H -2.10700 1.07500 -2.74500 1.000 H60 H -3.43300 2.20500 -2.37800 1.000 H61 H -3.12900 5.37000 1.21800 1.000 H62 H -4.84800 5.19900 0.78900 1.000 H63 H -4.00100 3.87100 1.61800 1.000 H64 H -2.53400 5.85800 -1.20300 1.000 H65 H -3.15300 4.77700 -2.47500 1.000 H66 H -4.28100 5.78200 -1.53300 1.000 H67 H -1.15100 4.60000 1.10800 1.000 H68 H 3.21700 4.09500 2.98000 1.000 H69 H -0.14000 0.01900 -1.72500 1.000 H70 H 8.84200 -3.32600 -0.77200 1.000 H71 H 7.78800 -3.52000 0.65000 1.000 H72 H 7.12600 -3.74900 -0.98600 1.000 H73 H 9.20300 -1.16600 -1.22000 1.000