# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9JZ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 0.58200 0.74700 0.42200 1.000 C1 C 1.19200 0.09800 -0.40100 1.000 C2 C 2.67300 -0.13000 -0.23500 1.000 C3 C 2.90400 -1.33900 0.67500 1.000 C4 C 4.40600 -1.55100 0.87000 1.000 C5 C 4.63700 -2.75900 1.78000 1.000 C6 C 4.02500 -4.00500 1.13700 1.000 C7 C 2.52300 -3.79300 0.94200 1.000 C8 C 2.29200 -2.58500 0.03200 1.000 N9 N 3.28500 1.05700 0.36600 1.000 C10 C 4.59200 1.31700 0.16300 1.000 O11 O 5.26100 0.56800 -0.51700 1.000 C12 C 5.22200 2.53900 0.78000 1.000 C13 C 4.51200 3.79300 0.26800 1.000 N14 N 6.64300 2.59600 0.41300 1.000 C15 C 7.41300 3.36000 1.40300 1.000 N16 N 0.54500 -0.42500 -1.46200 1.000 C17 C 1.13800 -1.31200 -2.47900 1.000 C18 C 0.25000 -1.12500 -3.73400 1.000 C19 C -1.15800 -0.97600 -3.10100 1.000 C20 C -2.08000 -0.16800 -4.01500 1.000 C21 C -0.87100 -0.20900 -1.79300 1.000 C22 C -1.74300 -0.73900 -0.68300 1.000 O23 O -1.29200 -1.53200 0.11600 1.000 N24 N -3.02300 -0.33200 -0.57900 1.000 C25 C -3.86800 -0.91800 0.36500 1.000 C26 C -3.73400 -2.26300 0.67900 1.000 C27 C -4.57100 -2.84100 1.61400 1.000 C28 C -5.54600 -2.08600 2.24200 1.000 C29 C -5.69100 -0.74700 1.94000 1.000 C30 C -4.84900 -0.15000 1.00400 1.000 C31 C -4.99700 1.28800 0.68000 1.000 N32 N -5.89700 2.01000 1.33400 1.000 C33 C -6.05300 3.29600 1.06900 1.000 C34 C -5.26200 3.88800 0.09600 1.000 C35 C -4.33100 3.10400 -0.56800 1.000 N36 N -4.22100 1.82500 -0.25200 1.000 H37 H 3.12300 -0.31800 -1.21000 1.000 H38 H 2.43300 -1.16000 1.64200 1.000 H39 H 4.87700 -1.72900 -0.09700 1.000 H40 H 4.84200 -0.66200 1.32800 1.000 H41 H 5.70800 -2.91000 1.91800 1.000 H42 H 4.16700 -2.58000 2.74700 1.000 H43 H 4.49600 -4.18300 0.17000 1.000 H44 H 4.19000 -4.86600 1.78500 1.000 H45 H 2.08700 -4.68100 0.48400 1.000 H46 H 2.05200 -3.61500 1.90900 1.000 H47 H 1.22100 -2.43400 -0.10700 1.000 H48 H 2.76200 -2.76300 -0.93500 1.000 H49 H 2.75000 1.65600 0.90900 1.000 H50 H 5.12900 2.48600 1.86500 1.000 H51 H 4.60400 3.84600 -0.81700 1.000 H52 H 3.45700 3.75100 0.54100 1.000 H53 H 4.96700 4.67700 0.71500 1.000 H54 H 7.02400 1.66900 0.29500 1.000 H55 H 8.46200 3.38700 1.10700 1.000 H56 H 7.02500 4.37700 1.45900 1.000 H57 H 7.32400 2.88300 2.37900 1.000 H58 H 2.16400 -1.01200 -2.69200 1.000 H59 H 1.10700 -2.34900 -2.14300 1.000 H60 H 0.53000 -0.22400 -4.28000 1.000 H61 H 0.29800 -2.00200 -4.38000 1.000 H62 H -1.59000 -1.95400 -2.88700 1.000 H63 H -2.19800 -0.68900 -4.96500 1.000 H64 H -3.05400 -0.05400 -3.54000 1.000 H65 H -1.64500 0.81600 -4.19200 1.000 H66 H -1.06000 0.85400 -1.93900 1.000 H67 H -3.35800 0.36900 -1.16100 1.000 H68 H -2.97600 -2.85800 0.19200 1.000 H69 H -4.46400 -3.88800 1.85500 1.000 H70 H -6.19600 -2.54600 2.97100 1.000 H71 H -6.45300 -0.16100 2.43300 1.000 H72 H -6.78900 3.87800 1.60500 1.000 H73 H -5.37000 4.93600 -0.14000 1.000 H74 H -3.69900 3.53400 -1.33200 1.000