# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9D1' 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 -4.32400 -2.77800 0.10500 1.000 N1 N 8.09500 -0.39600 0.04800 1.000 C2 C -3.07700 -0.68700 -0.16100 1.000 C3 C -3.39800 -1.85500 0.77500 1.000 C4 C -4.84400 -3.78700 1.05300 1.000 C5 C -5.02900 -5.09600 0.26300 1.000 C6 C -4.55400 -4.77200 -1.17200 1.000 C7 C -0.79200 0.05800 0.37900 1.000 C8 C 3.30500 -1.73400 -0.92200 1.000 C9 C 3.08900 0.20900 0.48800 1.000 C10 C 5.37100 -0.59800 -0.09900 1.000 C11 C 7.56400 -1.37400 -0.66100 1.000 C12 C 6.19500 -1.51200 -0.76200 1.000 C13 C -4.05800 2.76500 -0.21600 1.000 C14 C -3.19800 4.78900 -1.16400 1.000 O15 O -0.97300 5.46700 -0.66400 1.000 C16 C -1.98800 4.57500 -0.51900 1.000 C17 C -4.22800 3.88100 -1.01500 1.000 C18 C -2.85700 2.55500 0.43600 1.000 C19 C -1.82200 3.45800 0.28700 1.000 C20 C -2.67700 1.34100 1.31100 1.000 N21 N -2.15400 0.23400 0.50700 1.000 C22 C -3.63200 -3.54400 -0.96300 1.000 S23 S 0.42700 1.08400 1.12200 1.000 C24 C 1.70600 0.10300 0.41100 1.000 C25 C 1.11400 -0.92400 -0.33300 1.000 N26 N -0.23200 -0.88500 -0.29900 1.000 C27 C 3.89400 -0.70700 -0.17800 1.000 C28 C 1.95300 -1.84300 -1.00100 1.000 C29 C 7.35300 0.48700 0.68900 1.000 C30 C 5.97600 0.42200 0.64100 1.000 H31 H -2.61600 -1.06800 -1.07200 1.000 H32 H -3.99700 -0.16000 -0.41200 1.000 H33 H -3.86000 -1.47400 1.68600 1.000 H34 H -2.47800 -2.38200 1.02700 1.000 H35 H -4.12900 -3.94000 1.86200 1.000 H36 H -5.80100 -3.45900 1.45700 1.000 H37 H -4.41600 -5.88800 0.69500 1.000 H38 H -6.07800 -5.39000 0.25700 1.000 H39 H -3.99300 -5.60800 -1.59100 1.000 H40 H -5.40000 -4.51900 -1.81000 1.000 H41 H 3.93100 -2.44600 -1.44000 1.000 H42 H 3.53900 1.00500 1.06400 1.000 H43 H 8.20900 -2.07500 -1.17000 1.000 H44 H 5.76700 -2.31500 -1.34400 1.000 H45 H -4.86700 2.05900 -0.09700 1.000 H46 H -3.33200 5.66000 -1.78800 1.000 H47 H -0.97400 6.17400 -0.00400 1.000 H48 H -5.16800 4.04200 -1.52300 1.000 H49 H -0.88100 3.28900 0.78900 1.000 H50 H -1.97600 1.57200 2.11200 1.000 H51 H -3.63800 1.05700 1.73900 1.000 H52 H -3.56500 -2.95400 -1.87700 1.000 H53 H -2.64200 -3.85800 -0.63200 1.000 H54 H 1.51400 -2.64200 -1.58100 1.000 H55 H 7.83100 1.27100 1.25800 1.000 H56 H 5.37500 1.14900 1.16800 1.000