# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '99N' 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 -11.53900 -1.43500 -1.92800 1.000 O1 O -12.75500 -2.67800 -0.33600 1.000 C2 C -2.29400 -0.11000 0.00100 1.000 C3 C -5.93000 1.45100 -1.48900 1.000 C4 C -7.06200 0.47400 -1.61900 1.000 C5 C -7.34200 -0.41200 -0.70900 1.000 C6 C -8.52000 -1.34200 -0.94800 1.000 C7 C -5.86400 -1.92900 0.53100 1.000 C8 C -3.78600 1.90100 -0.30200 1.000 C9 C -2.71000 1.23600 0.59700 1.000 C10 C -1.54200 2.21600 0.52800 1.000 C11 C -1.65800 2.89400 -0.86000 1.000 C12 C -2.95400 2.33800 -1.51200 1.000 C13 C -0.21300 1.46500 0.64200 1.000 C14 C 0.94400 2.44100 0.42100 1.000 C15 C 2.26600 1.67100 0.41100 1.000 C16 C 3.40600 2.63200 0.19300 1.000 C17 C 5.78100 3.11000 -0.06500 1.000 C18 C 7.08300 2.35100 -0.07500 1.000 C19 C 7.77400 2.15100 1.10600 1.000 C20 C 8.96800 1.45700 1.10000 1.000 C21 C 9.47400 0.95900 -0.09300 1.000 C22 C 8.77800 1.16000 -1.27600 1.000 C23 C 7.58200 1.85100 -1.26300 1.000 C24 C 11.10800 -0.20800 -1.36500 1.000 S25 S -11.76800 -1.66100 -0.44000 1.000 O26 O -10.48500 -2.24800 0.13000 1.000 C27 C -9.42900 -1.29700 0.28300 1.000 C28 C -8.61300 -1.63800 1.53100 1.000 C29 C -7.54000 -0.57100 1.75300 1.000 C30 C -6.57000 -0.57200 0.56700 1.000 C31 C -5.50600 0.49500 0.76400 1.000 C32 C -4.85200 0.85500 -0.57700 1.000 O33 O 3.18300 3.81700 0.05900 1.000 N34 N 4.67300 2.17500 0.14700 1.000 O35 O 10.64800 0.27500 -0.10200 1.000 C36 C 12.43400 -0.94700 -1.17700 1.000 N37 N 12.22300 -2.12400 -0.32400 1.000 C38 C 13.49500 -2.60200 0.23700 1.000 C39 C 13.22200 -3.79000 1.16500 1.000 O40 O 12.53400 -4.80900 0.43600 1.000 C41 C 11.29100 -4.37800 -0.12400 1.000 C42 C 11.54400 -3.19600 -1.06500 1.000 C43 C -0.09700 0.84400 2.03500 1.000 C44 C -3.33600 1.02900 1.96300 1.000 C45 C -4.47900 0.01700 1.78700 1.000 O46 O -11.91500 -0.37300 0.14400 1.000 H47 H -1.89400 0.04400 -1.00100 1.000 H48 H -1.53000 -0.56600 0.63100 1.000 H49 H -3.16200 -0.76800 -0.05100 1.000 H50 H -5.50500 1.64900 -2.47400 1.000 H51 H -6.29800 2.38200 -1.05800 1.000 H52 H -7.67300 0.50900 -2.50900 1.000 H53 H -9.07500 -1.01200 -1.82700 1.000 H54 H -8.15900 -2.35900 -1.10300 1.000 H55 H -5.08800 -1.91400 -0.23400 1.000 H56 H -5.41300 -2.12900 1.50300 1.000 H57 H -6.58900 -2.70900 0.29900 1.000 H58 H -4.21500 2.77000 0.19700 1.000 H59 H -1.62500 2.95900 1.32100 1.000 H60 H -1.73200 3.97500 -0.74300 1.000 H61 H -0.79200 2.64200 -1.47300 1.000 H62 H -2.72800 1.48600 -2.15300 1.000 H63 H -3.46800 3.11800 -2.07300 1.000 H64 H -0.17500 0.67900 -0.11100 1.000 H65 H 0.81300 2.95000 -0.53400 1.000 H66 H 0.95800 3.17700 1.22500 1.000 H67 H 2.39700 1.16200 1.36600 1.000 H68 H 2.25200 0.93600 -0.39400 1.000 H69 H 5.79500 3.84500 0.74000 1.000 H70 H 5.65000 3.61900 -1.02000 1.000 H71 H 7.38100 2.53900 2.03400 1.000 H72 H 9.50800 1.30100 2.02200 1.000 H73 H 9.16900 0.77400 -2.20500 1.000 H74 H 7.03700 2.00400 -2.18400 1.000 H75 H 10.36800 -0.89100 -1.78400 1.000 H76 H 11.25200 0.63100 -2.04500 1.000 H77 H -9.85200 -0.29800 0.38700 1.000 H78 H -9.27300 -1.67400 2.39800 1.000 H79 H -8.13700 -2.61000 1.39900 1.000 H80 H -8.01200 0.40800 1.83500 1.000 H81 H -6.99300 -0.78900 2.67000 1.000 H82 H -5.98600 1.38900 1.16400 1.000 H83 H -4.41800 -0.03300 -1.03600 1.000 H84 H 4.85100 1.22800 0.25400 1.000 H85 H 12.81400 -1.26500 -2.14800 1.000 H86 H 13.15700 -0.28100 -0.70500 1.000 H87 H 14.15500 -2.91600 -0.57100 1.000 H88 H 13.96900 -1.79900 0.80300 1.000 H89 H 14.16700 -4.18400 1.53900 1.000 H90 H 12.60700 -3.46300 2.00300 1.000 H91 H 10.84000 -5.19700 -0.68300 1.000 H92 H 10.61900 -4.06800 0.67600 1.000 H93 H 10.59400 -2.82800 -1.45000 1.000 H94 H 12.17300 -3.52000 -1.89500 1.000 H95 H -0.09200 1.63300 2.78600 1.000 H96 H -0.94500 0.18200 2.21000 1.000 H97 H 0.82900 0.27300 2.10200 1.000 H98 H -2.59400 0.63400 2.65700 1.000 H99 H -3.73000 1.97400 2.33900 1.000 H100 H -4.97600 -0.12900 2.74700 1.000 H101 H -4.06400 -0.93400 1.45500 1.000 H102 H -12.30100 -1.06100 -2.39100 1.000