# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9J4' 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 3.23700 -2.10800 1.70000 1.000 C1 C 3.20000 -2.70400 0.27100 1.000 C2 C 1.90800 -2.13100 -0.34500 1.000 C3 C 1.58800 -0.83900 0.42600 1.000 C4 C 2.69800 -0.67200 1.48500 1.000 C5 C 2.12800 -1.81700 -1.82600 1.000 C6 C 0.76200 -3.13300 -0.18600 1.000 C7 C -3.89000 -1.64400 -0.22100 1.000 C8 C -5.03200 -2.41900 -0.22000 1.000 C9 C 2.76600 2.88300 -0.21100 1.000 C10 C -5.22900 0.31200 0.21700 1.000 C11 C -0.62300 1.22900 -0.12300 1.000 N12 N -1.41500 2.33100 0.12800 1.000 N13 N -0.82900 3.59600 0.26400 1.000 C14 C 0.45600 3.76500 0.16000 1.000 C15 C 1.31800 2.67300 -0.09600 1.000 C16 C 0.77700 1.39000 -0.23900 1.000 C17 C -1.44300 0.11900 -0.20700 1.000 C18 C -2.75800 0.56700 -0.00200 1.000 C19 C -2.70200 1.93200 0.19600 1.000 N20 N 1.59100 0.30600 -0.48900 1.000 N21 N 3.29200 4.10000 0.03600 1.000 O22 O 3.49200 1.95900 -0.52800 1.000 C23 C -3.98300 -0.27100 -0.00200 1.000 N24 N 4.37400 -2.26900 -0.49800 1.000 C25 C -6.26800 -1.83400 -0.00700 1.000 C26 C -6.36600 -0.47100 0.20600 1.000 C27 C 3.13400 -4.23200 0.33000 1.000 H28 H 2.58500 -2.66900 2.37000 1.000 H29 H 4.25600 -2.08400 2.08600 1.000 H30 H 0.61700 -0.92500 0.91300 1.000 H31 H 2.28400 -0.27600 2.41200 1.000 H32 H 3.48800 -0.02000 1.11000 1.000 H33 H 2.40300 -2.73000 -2.35500 1.000 H34 H 1.21000 -1.41200 -2.25200 1.000 H35 H 2.92900 -1.08400 -1.92700 1.000 H36 H 0.59700 -3.33100 0.87300 1.000 H37 H -0.14600 -2.71900 -0.62500 1.000 H38 H 1.01900 -4.06200 -0.69400 1.000 H39 H -2.92600 -2.10100 -0.38700 1.000 H40 H -4.96100 -3.48400 -0.38600 1.000 H41 H -5.30700 1.37600 0.38300 1.000 H42 H 0.87200 4.75600 0.27200 1.000 H43 H -1.13200 -0.89900 -0.39500 1.000 H44 H -3.55000 2.57400 0.38200 1.000 H45 H 2.16600 0.30100 -1.27000 1.000 H46 H 2.71300 4.83600 0.28900 1.000 H47 H 4.24900 4.23900 -0.04000 1.000 H48 H 5.22400 -2.64000 -0.10100 1.000 H49 H 4.28500 -2.52700 -1.46900 1.000 H50 H -7.15900 -2.44400 -0.00700 1.000 H51 H -7.33200 -0.02000 0.37500 1.000 H52 H 3.01500 -4.63000 -0.67800 1.000 H53 H 4.05400 -4.61900 0.76800 1.000 H54 H 2.28400 -4.53500 0.94300 1.000