# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C78' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -4.99900 0.97900 -6.66200 1.000 C1 C -5.25800 0.80100 -5.30100 1.000 C2 C -6.52400 0.41700 -4.87800 1.000 C3 C -6.77700 0.24300 -3.53200 1.000 C4 C -5.77200 0.45000 -2.60500 1.000 C5 C -4.51000 0.83200 -3.02300 1.000 C6 C -4.25200 1.01400 -4.36700 1.000 C7 C -3.41700 1.05600 -2.01000 1.000 O8 O -2.70200 -0.18700 -1.78700 1.000 C9 C -1.67600 -0.22700 -0.91500 1.000 O10 O -1.34900 0.77700 -0.31500 1.000 N11 N -1.01200 -1.38100 -0.70800 1.000 C12 C 0.02800 -1.45300 0.31900 1.000 C13 C 1.09000 -0.38700 0.04500 1.000 C14 C 1.70500 -0.62700 -1.30900 1.000 C15 C 1.15400 -0.03700 -2.43100 1.000 C16 C 1.71600 -0.25600 -3.67400 1.000 C17 C 2.82300 -1.43300 -1.42600 1.000 C18 C 3.38500 -1.66000 -2.66800 1.000 C19 C 2.83300 -1.06900 -3.79600 1.000 C20 C -0.58600 -1.21300 1.67400 1.000 O21 O -1.62600 -0.59700 1.76700 1.000 O22 O 3.38800 -1.28600 -5.01700 1.000 P23 P 4.49100 -0.13400 -5.23900 1.000 O24 O 5.19100 -0.33000 -6.67500 1.000 O25 O 5.51500 -0.22000 -4.17400 1.000 O26 O 3.77800 1.30800 -5.18300 1.000 N27 N 0.01900 -1.68300 2.78200 1.000 C28 C -0.63400 -1.55300 4.08600 1.000 C29 C 0.23800 -2.20200 5.16200 1.000 C30 C 0.43400 -3.68400 4.83500 1.000 C31 C -0.92600 -4.38100 4.79400 1.000 C32 C -1.80000 -3.73200 3.71800 1.000 C33 C -1.99500 -2.25000 4.04500 1.000 C34 C -0.82700 -0.09400 4.40900 1.000 O35 O -1.82200 0.27000 4.99900 1.000 N36 N 0.10500 0.80600 4.04100 1.000 C37 C -0.03700 2.21000 4.43300 1.000 C38 C -0.74200 2.98300 3.31700 1.000 C39 C 0.08500 2.89300 2.03300 1.000 C40 C 1.46900 3.49800 2.27600 1.000 C41 C 2.17500 2.72500 3.39200 1.000 C42 C 1.34700 2.81500 4.67600 1.000 C43 C 2.04200 2.05400 5.77600 1.000 N44 N 3.28200 2.41200 6.16300 1.000 O45 O 1.48400 1.12000 6.31300 1.000 H46 H -4.11400 1.24700 -6.95700 1.000 H47 H -5.70300 0.83400 -7.31300 1.000 H48 H -7.31000 0.25500 -5.60100 1.000 H49 H -7.76100 -0.05600 -3.20200 1.000 H50 H -5.97200 0.31200 -1.55300 1.000 H51 H -3.26600 1.31200 -4.69300 1.000 H52 H -3.85500 1.39600 -1.07200 1.000 H53 H -2.72500 1.81100 -2.38300 1.000 H54 H -1.22300 -2.16500 -1.24000 1.000 H55 H 0.49000 -2.44000 0.30000 1.000 H56 H 0.62800 0.59900 0.06400 1.000 H57 H 1.86500 -0.44000 0.81000 1.000 H58 H 0.28400 0.59500 -2.33600 1.000 H59 H 1.28500 0.20400 -4.55100 1.000 H60 H 3.25100 -1.89200 -0.54800 1.000 H61 H 4.25500 -2.29300 -2.76000 1.000 H62 H 5.84300 0.37700 -6.76800 1.000 H63 H 3.12000 1.32300 -5.89000 1.000 H64 H 0.88900 -2.10700 2.71600 1.000 H65 H 1.20800 -1.70500 5.19100 1.000 H66 H -0.24800 -2.10500 6.13300 1.000 H67 H 0.92100 -3.78000 3.86500 1.000 H68 H 1.05600 -4.14600 5.60100 1.000 H69 H -0.78700 -5.43700 4.56100 1.000 H70 H -1.41400 -4.28500 5.76400 1.000 H71 H -1.31300 -3.82900 2.74800 1.000 H72 H -2.76900 -4.22900 3.68900 1.000 H73 H -2.48300 -2.15400 5.01600 1.000 H74 H -2.61800 -1.78800 3.27900 1.000 H75 H 0.87100 0.52400 3.51700 1.000 H76 H -0.62600 2.27400 5.34800 1.000 H77 H -0.84800 4.02700 3.60900 1.000 H78 H -1.72800 2.55200 3.14400 1.000 H79 H -0.41700 3.44300 1.23800 1.000 H80 H 0.19100 1.84800 1.74100 1.000 H81 H 1.36300 4.54300 2.56700 1.000 H82 H 2.05900 3.43400 1.36100 1.000 H83 H 3.16100 3.15600 3.56500 1.000 H84 H 2.28100 1.68100 3.10000 1.000 H85 H 1.24100 3.86000 4.96800 1.000 H86 H 3.72900 1.92200 6.87000 1.000 H87 H 3.72900 3.15600 5.73000 1.000