# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9PN' 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 4.63200 1.81500 1.35700 1.000 C1 C 3.30800 2.30000 1.95200 1.000 C2 C 3.56600 3.50600 2.85700 1.000 C3 C 4.35900 0.64600 0.40600 1.000 C4 C -9.65100 -3.54200 -0.35400 1.000 C5 C -10.85400 -3.57900 -1.03300 1.000 C6 C -11.82500 -2.63300 -0.74200 1.000 C7 C -11.54700 -1.67900 0.22500 1.000 C8 C -10.32100 -1.70400 0.86300 1.000 N9 N -9.42200 -2.62000 0.56100 1.000 C10 C -8.13700 -2.61600 1.26400 1.000 C11 C -7.13800 -1.74800 0.49600 1.000 C12 C -5.79500 -1.74500 1.23000 1.000 C13 C -4.81200 -0.88900 0.47400 1.000 C14 C -4.10100 0.15400 0.96400 1.000 N15 N -4.46400 -1.01500 -0.81200 1.000 N16 N -3.60000 -0.10700 -1.10000 1.000 N17 N -3.35300 0.61600 -0.06400 1.000 C18 C -2.42000 1.74400 -0.00800 1.000 C19 C -1.03900 1.28900 -0.48600 1.000 O20 O -0.54000 0.27800 0.39100 1.000 O21 O -2.89200 2.79600 -0.85300 1.000 C22 C -2.06500 3.96100 -0.85100 1.000 C23 C -2.68000 5.02500 -1.76300 1.000 O24 O -3.93200 5.45000 -1.22200 1.000 C25 C -0.66900 3.59500 -1.36300 1.000 O26 O 0.17600 4.74600 -1.30800 1.000 C27 C -0.08500 2.48800 -0.48100 1.000 O28 O 1.18700 2.08800 -0.99500 1.000 C29 C 2.09300 1.61100 0.00200 1.000 C30 C 3.36900 1.09900 -0.67100 1.000 O31 O 3.05000 -0.00400 -1.52200 1.000 O32 O 2.42200 2.67700 0.89600 1.000 O33 O 2.34900 3.88600 3.50200 1.000 O34 O 5.49900 1.38400 2.40900 1.000 O35 O 5.58100 0.23400 -0.21000 1.000 C36 C 5.62100 -1.15200 -0.55300 1.000 O37 O 5.57600 -1.94000 0.63800 1.000 C38 C 5.58500 -3.35000 0.40600 1.000 C39 C 5.50500 -4.08800 1.74400 1.000 O40 O 4.24700 -3.81500 2.36500 1.000 C41 C 6.87800 -3.73900 -0.31500 1.000 O42 O 6.86300 -5.13900 -0.60000 1.000 C43 C 6.97900 -2.95100 -1.62500 1.000 O44 O 8.21800 -3.25300 -2.27000 1.000 C45 C 6.91500 -1.45300 -1.31400 1.000 O46 O 6.93600 -0.71000 -2.53400 1.000 H47 H 5.10400 2.62900 0.80700 1.000 H48 H 2.85600 1.49700 2.53600 1.000 H49 H 4.31000 3.24400 3.60900 1.000 H50 H 3.93400 4.33800 2.25700 1.000 H51 H 3.93300 -0.18700 0.96600 1.000 H52 H -8.89200 -4.27800 -0.57100 1.000 H53 H -11.03600 -4.33700 -1.78100 1.000 H54 H -12.77400 -2.63800 -1.25800 1.000 H55 H -12.28000 -0.92600 0.47700 1.000 H56 H -10.09700 -0.96400 1.61800 1.000 H57 H -8.27200 -2.21300 2.26700 1.000 H58 H -7.75600 -3.63600 1.33000 1.000 H59 H -7.00200 -2.15100 -0.50700 1.000 H60 H -7.51800 -0.72900 0.43000 1.000 H61 H -5.93100 -1.34200 2.23400 1.000 H62 H -5.41500 -2.76400 1.29600 1.000 H63 H -4.12600 0.53900 1.97200 1.000 H64 H -2.34900 2.10600 1.01800 1.000 H65 H -1.11700 0.89000 -1.49700 1.000 H66 H -1.09800 -0.51000 0.44100 1.000 H67 H -1.98900 4.35200 0.16300 1.000 H68 H -2.00600 5.87800 -1.83200 1.000 H69 H -2.83800 4.60400 -2.75700 1.000 H70 H -4.38000 6.12500 -1.75000 1.000 H71 H -0.74000 3.24300 -2.39200 1.000 H72 H -0.13600 5.48900 -1.84100 1.000 H73 H 0.03200 2.85600 0.53800 1.000 H74 H 1.62600 0.80000 0.56000 1.000 H75 H 3.81500 1.89900 -1.26200 1.000 H76 H 2.42700 0.21100 -2.22900 1.000 H77 H 2.43800 4.64700 4.09300 1.000 H78 H 5.71100 2.07500 3.05200 1.000 H79 H 4.76500 -1.39600 -1.18200 1.000 H80 H 4.72800 -3.62200 -0.21000 1.000 H81 H 5.60200 -5.16000 1.57400 1.000 H82 H 6.31200 -3.74900 2.39400 1.000 H83 H 4.12800 -4.25100 3.22000 1.000 H84 H 7.73300 -3.50400 0.31800 1.000 H85 H 7.65400 -5.45600 -1.05800 1.000 H86 H 6.15100 -3.22400 -2.28000 1.000 H87 H 8.34900 -2.78800 -3.10800 1.000 H88 H 7.77100 -1.17200 -0.70000 1.000 H89 H 6.89300 0.24900 -2.41200 1.000