# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '06H' 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 -2.81000 3.38000 0.33100 1.000 C1 C -2.37800 1.94300 0.18800 1.000 C2 C -1.12200 1.44600 0.31800 1.000 N3 N -1.14000 0.09300 0.09800 1.000 C4 C -2.41800 -0.32100 -0.04800 1.000 C5 C -3.23200 0.80600 -0.09100 1.000 C6 C -4.66500 0.73200 -0.38000 1.000 O7 O -5.37900 1.71100 -0.35000 1.000 C8 C -5.21500 -0.63700 -0.72100 1.000 C9 C -4.50300 -1.69900 0.11000 1.000 C10 C -2.99300 -1.70800 -0.12900 1.000 C11 C -5.06700 -3.07500 -0.26900 1.000 C12 C -4.78200 -1.45400 1.59500 1.000 C13 C -0.03600 -0.76200 0.00600 1.000 C14 C -0.21500 -2.14100 -0.11500 1.000 C15 C 0.84600 -3.00000 -0.12700 1.000 C16 C 2.15300 -2.51500 -0.04200 1.000 C17 C 2.36200 -1.12800 0.02000 1.000 C18 C 1.26700 -0.27600 -0.01000 1.000 N19 N 3.66900 -0.63100 0.10800 1.000 C20 C 3.85200 0.76000 0.57600 1.000 C21 C 3.34900 1.70200 -0.48600 1.000 O22 O 3.49500 1.43000 -1.66000 1.000 N23 N 2.66900 2.83300 -0.09900 1.000 C24 C 1.62000 3.22100 -1.07600 1.000 C25 C 0.27500 3.38100 -0.38100 1.000 C26 C 0.03800 2.33100 0.69800 1.000 C27 C 2.96800 3.60200 1.11300 1.000 C28 C 5.34400 1.00800 0.81900 1.000 C29 C 3.28100 -3.46100 -0.02600 1.000 O30 O 4.42200 -3.04600 0.04800 1.000 N31 N 3.04900 -4.78700 -0.09300 1.000 H32 H -2.75100 3.87500 -0.63800 1.000 H33 H -3.83700 3.41600 0.69500 1.000 H34 H -2.15600 3.88800 1.03900 1.000 H35 H -6.28300 -0.66100 -0.50400 1.000 H36 H -5.05600 -0.83700 -1.78100 1.000 H37 H -2.77800 -2.14400 -1.10300 1.000 H38 H -2.54200 -2.32500 0.66000 1.000 H39 H -4.89700 -3.25800 -1.33000 1.000 H40 H -4.56800 -3.84600 0.31700 1.000 H41 H -6.13700 -3.09800 -0.06400 1.000 H42 H -5.85600 -1.50800 1.77700 1.000 H43 H -4.27400 -2.21300 2.19000 1.000 H44 H -4.41600 -0.46700 1.87500 1.000 H45 H -1.18900 -2.57400 -0.24300 1.000 H46 H 0.67100 -4.06500 -0.20100 1.000 H47 H 1.44200 0.77700 -0.14500 1.000 H48 H 4.44800 -1.16100 -0.14100 1.000 H49 H 3.30100 0.90200 1.50300 1.000 H50 H 1.90200 4.16800 -1.54900 1.000 H51 H 1.54200 2.45600 -1.85500 1.000 H52 H 0.20800 4.38000 0.06300 1.000 H53 H -0.51600 3.30000 -1.13900 1.000 H54 H -0.25200 2.86600 1.62600 1.000 H55 H 0.91800 1.77000 0.94300 1.000 H56 H 3.79900 3.13600 1.64300 1.000 H57 H 3.23700 4.62200 0.84000 1.000 H58 H 2.09000 3.61800 1.75900 1.000 H59 H 5.89400 0.85600 -0.11000 1.000 H60 H 5.49000 2.03200 1.16400 1.000 H61 H 5.70900 0.31400 1.57500 1.000 H62 H 2.13900 -5.11800 -0.15200 1.000 H63 H 3.79200 -5.41000 -0.08200 1.000