# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9D0' 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 12.24000 3.71600 -0.01000 1.000 C1 C 11.65900 2.30100 -0.00400 1.000 C2 C 10.13000 2.37600 -0.00700 1.000 C3 C 9.55000 0.96100 -0.00200 1.000 C4 C 8.02100 1.03700 -0.00500 1.000 C5 C 7.44100 -0.37900 0.00100 1.000 C6 C 5.91300 -0.30300 -0.00200 1.000 C7 C 5.33200 -1.71800 0.00300 1.000 N8 N 3.86500 -1.64500 0.00000 1.000 C9 C 3.27100 -2.98900 0.00500 1.000 C10 C 1.76800 -2.87400 0.00200 1.000 C11 C 1.08100 -2.82700 -1.19600 1.000 C12 C -0.29700 -2.72100 -1.19900 1.000 C13 C 1.07600 -2.82200 1.19800 1.000 C14 C -0.30200 -2.71700 1.19500 1.000 C15 C -0.98800 -2.66200 -0.00400 1.000 C16 C -2.49100 -2.54800 -0.00700 1.000 N17 N -2.87300 -1.13400 -0.00500 1.000 C18 C -4.17600 -0.78800 -0.00800 1.000 O19 O -5.03400 -1.65000 -0.01100 1.000 C20 C -4.55900 0.63100 -0.00600 1.000 C21 C -5.94800 1.08100 -0.00300 1.000 C22 C -7.16400 0.33600 -0.00500 1.000 O23 O -7.14600 -0.88300 -0.01100 1.000 N24 N -8.33300 1.00700 -0.00100 1.000 C25 C -8.34300 2.36300 0.00600 1.000 N26 N -7.24400 3.05900 0.00800 1.000 C27 C -6.03100 2.46600 0.00400 1.000 S28 S -4.41400 3.15700 0.00600 1.000 C29 C -3.66600 1.63000 -0.00200 1.000 H30 H 11.90100 4.25100 0.87700 1.000 H31 H 13.32800 3.66200 -0.00800 1.000 H32 H 11.90400 4.24300 -0.90300 1.000 H33 H 11.99800 1.76500 -0.89100 1.000 H34 H 11.99500 1.77400 0.88900 1.000 H35 H 9.79200 2.91200 0.88000 1.000 H36 H 9.79500 2.90400 -0.90000 1.000 H37 H 9.88900 0.42600 -0.88900 1.000 H38 H 9.88500 0.43400 0.89100 1.000 H39 H 7.68300 1.57200 0.88200 1.000 H40 H 7.68600 1.56400 -0.89800 1.000 H41 H 7.78000 -0.91400 -0.88600 1.000 H42 H 7.77700 -0.90600 0.89400 1.000 H43 H 5.57400 0.23300 0.88500 1.000 H44 H 5.57700 0.22400 -0.89500 1.000 H45 H 5.67100 -2.25300 -0.88400 1.000 H46 H 5.66800 -2.24500 0.89600 1.000 H47 H 3.52800 -1.09800 0.77800 1.000 H48 H 3.59500 -3.53300 -0.88200 1.000 H49 H 3.59200 -3.52500 0.89800 1.000 H50 H 1.62100 -2.87200 -2.13100 1.000 H51 H -0.83400 -2.68400 -2.13600 1.000 H52 H 1.61300 -2.86300 2.13400 1.000 H53 H -0.84200 -2.67600 2.12900 1.000 H54 H -2.89000 -3.03200 -0.89900 1.000 H55 H -2.89400 -3.03400 0.88200 1.000 H56 H -2.18900 -0.44700 -0.00300 1.000 H57 H -9.29100 2.88100 0.00900 1.000 H58 H -2.59700 1.48200 -0.00000 1.000 H59 H -9.17100 0.51700 -0.00200 1.000