# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0PX' 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 -4.24900 0.27900 -2.43600 1.000 C1 C -4.28100 0.58600 -1.26100 1.000 N2 N -5.59700 0.98800 0.72800 1.000 C3 C -5.58000 0.65300 -0.54800 1.000 C4 C -6.76100 0.35900 -1.24500 1.000 C5 C -7.96200 0.41700 -0.60000 1.000 C6 C -7.97100 0.77500 0.76200 1.000 C7 C -9.17000 0.85400 1.48700 1.000 C8 C -9.13900 1.20400 2.80300 1.000 C9 C -7.93300 1.48400 3.44100 1.000 C10 C -6.75100 1.41800 2.77100 1.000 C11 C -6.74000 1.06100 1.40900 1.000 N12 N -3.13700 0.86000 -0.60500 1.000 C13 C -1.84700 0.68300 -1.27600 1.000 C14 C -1.10300 -0.46300 -0.64000 1.000 O15 O -1.60200 -1.07200 0.28300 1.000 C16 C -1.02100 1.96400 -1.14100 1.000 C17 C -1.69300 3.07700 -1.90300 1.000 O18 O -2.76700 2.88700 -2.43400 1.000 N19 N -1.10100 4.28400 -1.99400 1.000 N20 N 0.11600 -0.81200 -1.09700 1.000 C21 C 0.88500 -1.85300 -0.41100 1.000 C22 C 0.51100 -3.22300 -0.97900 1.000 C23 C 1.20500 -4.31900 -0.16800 1.000 C24 C 0.94800 -5.67800 -0.82200 1.000 C25 C 0.65000 -4.32600 1.25800 1.000 C26 C 1.64200 -6.77400 -0.01100 1.000 C27 C 1.34400 -5.42200 2.06900 1.000 C28 C 1.08800 -6.78100 1.41500 1.000 C29 C 2.38000 -1.60400 -0.62200 1.000 O30 O 2.67600 -1.63700 -2.01900 1.000 C31 C 2.75500 -0.23400 -0.05300 1.000 C32 C 4.27300 -0.05200 -0.11900 1.000 C33 C 4.71100 0.04600 -1.58200 1.000 C34 C 4.03500 1.25200 -2.23700 1.000 C35 C 6.23100 0.21500 -1.64800 1.000 C36 C 4.65900 1.21000 0.60700 1.000 O37 O 3.80300 1.99600 0.95600 1.000 N38 N 5.95600 1.46600 0.87000 1.000 C39 C 6.33800 2.72600 1.51300 1.000 C40 C 7.85700 2.76500 1.69600 1.000 C41 C 8.53800 2.66200 0.32900 1.000 C42 C 8.25600 4.08100 2.36700 1.000 C43 C 8.29500 1.59100 2.57300 1.000 H44 H -6.72000 0.08800 -2.28900 1.000 H45 H -8.88200 0.19500 -1.12000 1.000 H46 H -10.11200 0.64000 1.00400 1.000 H47 H -10.06300 1.26400 3.35900 1.000 H48 H -7.93600 1.75900 4.48600 1.000 H49 H -5.82500 1.63900 3.28100 1.000 H50 H -3.16700 1.17600 0.31200 1.000 H51 H -2.01300 0.46700 -2.33100 1.000 H52 H -0.94500 2.23800 -0.08900 1.000 H53 H -0.02300 1.79700 -1.54600 1.000 H54 H -0.24200 4.43700 -1.56900 1.000 H55 H -1.53300 5.00100 -2.48400 1.000 H56 H 0.48400 -0.37400 -1.88100 1.000 H57 H 0.66000 -1.82800 0.65500 1.000 H58 H -0.57000 -3.35700 -0.92200 1.000 H59 H 0.83000 -3.28400 -2.02000 1.000 H60 H 2.27700 -4.12600 -0.14000 1.000 H61 H -0.12400 -5.87100 -0.85000 1.000 H62 H 1.34300 -5.67200 -1.83800 1.000 H63 H 0.83300 -3.35800 1.72400 1.000 H64 H -0.42200 -4.51900 1.23000 1.000 H65 H 1.45900 -7.74200 -0.47700 1.000 H66 H 2.71500 -6.58100 0.01700 1.000 H67 H 2.41700 -5.22900 2.09800 1.000 H68 H 0.94900 -5.42800 3.08500 1.000 H69 H 0.01500 -6.97400 1.38700 1.000 H70 H 1.58200 -7.56200 1.99300 1.000 H71 H 2.95300 -2.37900 -0.11100 1.000 H72 H 2.25500 -0.93000 -2.52700 1.000 H73 H 2.27000 0.54700 -0.63800 1.000 H74 H 2.42600 -0.16900 0.98400 1.000 H75 H 4.76100 -0.90600 0.35000 1.000 H76 H 4.42400 -0.86300 -2.10900 1.000 H77 H 4.42300 1.38100 -3.24700 1.000 H78 H 2.95900 1.08600 -2.28000 1.000 H79 H 4.24100 2.14700 -1.65100 1.000 H80 H 6.71100 -0.61100 -1.12400 1.000 H81 H 6.55000 0.22000 -2.69000 1.000 H82 H 6.51200 1.15700 -1.17700 1.000 H83 H 6.63600 0.81700 0.63300 1.000 H84 H 6.02600 3.56200 0.88700 1.000 H85 H 5.85300 2.79900 2.48600 1.000 H86 H 8.22600 3.49900 -0.29600 1.000 H87 H 9.62000 2.69000 0.46000 1.000 H88 H 8.25300 1.72500 -0.14900 1.000 H89 H 7.77100 4.15400 3.34000 1.000 H90 H 9.33800 4.10800 2.49700 1.000 H91 H 7.94400 4.91700 1.74200 1.000 H92 H 8.01100 0.65400 2.09500 1.000 H93 H 9.37700 1.61900 2.70400 1.000 H94 H 7.81000 1.66400 3.54700 1.000