# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '012' 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 -2.00300 -1.43300 -0.69600 1.000 O1 O -2.33700 -1.53100 0.46600 1.000 N2 N -0.69600 -1.37000 -1.01900 1.000 C3 C 0.32200 -1.42000 0.03400 1.000 C4 C 0.62800 -2.87900 0.37800 1.000 C5 C -0.59600 -3.52100 0.97700 1.000 C6 C -1.51700 -4.14900 0.15900 1.000 C7 C -0.79600 -3.48800 2.34400 1.000 C8 C -2.64100 -4.73900 0.70800 1.000 C9 C -1.91900 -4.07700 2.89300 1.000 C10 C -2.84300 -4.70100 2.07500 1.000 C11 C 1.59800 -0.73300 -0.45700 1.000 O12 O 2.14700 -1.47300 -1.55000 1.000 C13 C 2.61600 -0.67400 0.68200 1.000 N14 N 3.79400 0.09000 0.24800 1.000 C15 C 4.79600 0.16700 1.31900 1.000 C16 C 5.98600 0.95600 0.83800 1.000 C17 C 6.02500 2.32600 1.01900 1.000 C18 C 7.11500 3.05400 0.57900 1.000 C19 C 8.17000 2.41400 -0.04200 1.000 C20 C 8.13400 1.03800 -0.22500 1.000 C21 C 7.03900 0.30900 0.22200 1.000 N22 N 9.19800 0.38700 -0.85400 1.000 C23 C 10.35400 1.15700 -1.32100 1.000 C24 C 9.15900 -1.06500 -1.04600 1.000 C25 C -3.05000 -1.38800 -1.77900 1.000 N26 N -4.33200 -1.90800 -1.28000 1.000 C27 C -5.25600 -0.94200 -1.35000 1.000 O28 O -6.41000 -1.10100 -1.00000 1.000 N29 N -4.79500 0.21600 -1.84000 1.000 C30 C -3.36800 0.07000 -2.16300 1.000 C31 C -5.58700 1.43500 -2.02500 1.000 C32 C -5.51800 2.27400 -0.77500 1.000 C33 C -4.52100 3.21900 -0.63300 1.000 C34 C -4.45800 3.99100 0.51800 1.000 C35 C -5.39600 3.81100 1.52300 1.000 C36 C -6.39100 2.86400 1.37700 1.000 C37 C -6.45500 2.10000 0.22600 1.000 O38 O -3.47800 4.92200 0.66000 1.000 C39 C -3.47400 5.68100 1.87200 1.000 H40 H -0.42900 -1.29100 -1.94800 1.000 H41 H -0.04800 -0.90700 0.92200 1.000 H42 H 0.91300 -3.41400 -0.52800 1.000 H43 H 1.44700 -2.91800 1.09600 1.000 H44 H -1.35900 -4.17900 -0.90900 1.000 H45 H -0.07400 -3.00100 2.98400 1.000 H46 H -3.36000 -5.22900 0.06900 1.000 H47 H -2.07500 -4.05100 3.96200 1.000 H48 H -3.72100 -5.16100 2.50400 1.000 H49 H 1.36200 0.27900 -0.78600 1.000 H50 H 2.38000 -2.38500 -1.32900 1.000 H51 H 2.16600 -0.18800 1.54800 1.000 H52 H 2.91900 -1.68600 0.95100 1.000 H53 H 4.19100 -0.30500 -0.59100 1.000 H54 H 4.36100 0.66000 2.18900 1.000 H55 H 5.11400 -0.83900 1.59300 1.000 H56 H 5.20100 2.82900 1.50400 1.000 H57 H 7.14200 4.12400 0.72100 1.000 H58 H 9.02100 2.98400 -0.38600 1.000 H59 H 7.01000 -0.76200 0.08500 1.000 H60 H 11.09700 1.21500 -0.52500 1.000 H61 H 10.79000 0.66600 -2.19100 1.000 H62 H 10.03500 2.16300 -1.59300 1.000 H63 H 8.29400 -1.32700 -1.65400 1.000 H64 H 10.06900 -1.38900 -1.54900 1.000 H65 H 9.08400 -1.55800 -0.07600 1.000 H66 H -2.72100 -1.95300 -2.65100 1.000 H67 H -4.48300 -2.80900 -0.95300 1.000 H68 H -2.76900 0.76200 -1.57100 1.000 H69 H -3.19800 0.23100 -3.22800 1.000 H70 H -5.18900 2.00300 -2.86600 1.000 H71 H -6.62400 1.16700 -2.22600 1.000 H72 H -3.79100 3.35700 -1.41700 1.000 H73 H -5.34900 4.41100 2.42100 1.000 H74 H -7.12200 2.72400 2.15900 1.000 H75 H -7.23600 1.36300 0.11200 1.000 H76 H -4.41300 6.22700 1.96100 1.000 H77 H -3.36500 5.00700 2.72200 1.000 H78 H -2.64300 6.38500 1.85700 1.000