# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C39' 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 6.81100 6.84400 0.09700 1.000 O1 O 5.87800 5.76500 0.01200 1.000 C2 C 6.47100 4.47100 0.14600 1.000 C3 C 5.38500 3.39900 0.04000 1.000 C4 C 6.02000 2.01400 0.18400 1.000 O5 O 5.00600 1.01300 0.08500 1.000 C6 C 5.40400 -0.28000 0.19200 1.000 C7 C 6.74300 -0.58200 0.38900 1.000 C8 C 7.14700 -1.89800 0.49800 1.000 C9 C 6.22100 -2.92400 0.41300 1.000 C10 C 4.88600 -2.64200 0.21800 1.000 C11 C 4.46300 -1.31500 0.11100 1.000 C12 C 3.03500 -1.00600 -0.09300 1.000 O13 O 2.67100 0.15000 -0.19000 1.000 N14 N 2.13400 -2.00500 -0.17000 1.000 C15 C 0.71500 -1.69800 -0.37200 1.000 C16 C -0.06800 -3.00000 -0.55400 1.000 C17 C 0.40000 -3.70200 -1.83000 1.000 C18 C -0.33300 -5.03700 -1.97500 1.000 C19 C 0.09300 -2.81800 -3.04000 1.000 C20 C -1.56100 -2.68500 -0.66300 1.000 C21 C -2.06000 -2.11500 0.66600 1.000 N22 N -1.96000 -3.14400 1.71000 1.000 C23 C -3.51900 -1.67900 0.51800 1.000 O24 O -4.31900 -2.80600 0.15400 1.000 C25 C -4.01800 -1.10800 1.84700 1.000 C26 C -5.42700 -0.54100 1.66200 1.000 C27 C -5.99000 -0.11900 3.02000 1.000 C28 C -5.37100 0.65500 0.74800 1.000 O29 O -4.30800 1.01900 0.28900 1.000 N30 N -6.50100 1.32200 0.43900 1.000 C31 C -6.44600 2.48500 -0.45000 1.000 C32 C -7.85500 3.05200 -0.63500 1.000 C33 C -7.79800 4.26700 -1.56300 1.000 C34 C -9.20700 4.83400 -1.74900 1.000 H35 H 6.28200 7.79100 -0.01400 1.000 H36 H 7.31000 6.81700 1.06600 1.000 H37 H 7.55200 6.74600 -0.69600 1.000 H38 H 7.20500 4.32500 -0.64600 1.000 H39 H 6.96300 4.39600 1.11600 1.000 H40 H 4.65000 3.54600 0.83200 1.000 H41 H 4.89300 3.47400 -0.93000 1.000 H42 H 6.75400 1.86700 -0.60800 1.000 H43 H 6.51100 1.93900 1.15400 1.000 H44 H 7.47100 0.21300 0.45700 1.000 H45 H 8.19100 -2.12800 0.65000 1.000 H46 H 6.54600 -3.95100 0.49900 1.000 H47 H 4.16800 -3.44600 0.15100 1.000 H48 H 2.42400 -2.92700 -0.09300 1.000 H49 H 0.33300 -1.16200 0.49600 1.000 H50 H 0.60100 -1.07800 -1.26100 1.000 H51 H 0.10500 -3.65000 0.30300 1.000 H52 H 1.47400 -3.88100 -1.77400 1.000 H53 H -1.72200 -1.95500 -1.45500 1.000 H54 H -2.10900 -3.59900 -0.89400 1.000 H55 H -1.39400 -4.85300 -2.14200 1.000 H56 H 0.07800 -5.58700 -2.82200 1.000 H57 H -0.20400 -5.62300 -1.06500 1.000 H58 H 0.68500 -1.90400 -2.98300 1.000 H59 H 0.34300 -3.35500 -3.95500 1.000 H60 H -0.96700 -2.56500 -3.04600 1.000 H61 H -1.45100 -1.25500 0.94500 1.000 H62 H -2.43400 -3.99000 1.43000 1.000 H63 H -0.99600 -3.33000 1.94300 1.000 H64 H -3.59400 -0.91500 -0.25600 1.000 H65 H -4.30000 -3.52600 0.79900 1.000 H66 H -4.04100 -1.89900 2.59700 1.000 H67 H -3.34800 -0.31400 2.17700 1.000 H68 H -6.07100 -1.30400 1.22300 1.000 H69 H -7.02500 0.20200 2.90100 1.000 H70 H -5.94900 -0.96300 3.70900 1.000 H71 H -5.39800 0.70500 3.41900 1.000 H72 H -7.35100 1.03100 0.80500 1.000 H73 H -5.80300 3.24700 -0.01100 1.000 H74 H -6.04500 2.18400 -1.41800 1.000 H75 H -8.49900 2.29000 -1.07400 1.000 H76 H -8.25600 3.35300 0.33300 1.000 H77 H -7.15400 5.02900 -1.12500 1.000 H78 H -7.39700 3.96600 -2.53100 1.000 H79 H -9.60800 5.13500 -0.78100 1.000 H80 H -9.16600 5.70000 -2.41000 1.000 H81 H -9.85100 4.07100 -2.18800 1.000