# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '006' 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 -2.42800 0.13200 -1.35300 1.000 C1 C -1.02000 0.19900 -0.95100 1.000 O2 O -0.26500 -0.06400 -3.23100 1.000 C3 C -0.51400 -1.21000 -0.63300 1.000 O4 O 2.06600 0.11100 -2.01500 1.000 C5 C -1.24700 -1.74800 0.56800 1.000 C6 C -2.42100 -2.45900 0.40000 1.000 C7 C -3.09400 -2.95200 1.50300 1.000 C8 C -2.59300 -2.73600 2.77200 1.000 C9 C -1.41900 -2.02600 2.94000 1.000 C10 C -0.74300 -1.53700 1.83800 1.000 C11 C -0.19200 0.79400 -2.09100 1.000 C12 C 1.24400 0.92500 -1.65200 1.000 N13 N 4.85100 0.70500 0.24000 1.000 O14 O 7.47300 0.68300 0.52000 1.000 C15 C 5.36200 -0.49100 0.91500 1.000 C16 C 5.41400 -1.65700 -0.04900 1.000 C17 C 4.49100 -2.08800 -0.98700 1.000 C18 C 4.75900 -3.19500 -1.76800 1.000 C19 C 6.82200 -0.27100 1.36200 1.000 C20 C 6.60800 -2.33600 0.10400 1.000 C21 C 6.87500 -3.44600 -0.68000 1.000 C22 C 5.95200 -3.87500 -1.61500 1.000 C23 C 7.43900 -1.67400 1.18200 1.000 C24 C -9.75100 -0.08700 -0.26900 1.000 O25 O -3.10400 0.19100 0.75900 1.000 C26 C -9.02600 -1.25500 -0.12100 1.000 O27 O -5.67400 0.08300 0.33400 1.000 C28 C -7.66100 -1.20100 0.08000 1.000 C29 C -6.87100 -2.47400 0.24100 1.000 C30 C -7.05100 2.53300 0.04500 1.000 C31 C -7.01700 0.02700 0.13500 1.000 C32 C -7.74700 1.19700 -0.01400 1.000 C33 C -9.11200 1.13800 -0.21500 1.000 C34 C -3.39700 0.13500 -0.41600 1.000 C35 C -4.84500 0.06700 -0.83000 1.000 C36 C 0.64500 2.91500 -0.30600 1.000 N37 N 1.61500 1.94900 -0.85700 1.000 O38 O 2.75700 0.18200 0.75200 1.000 S39 S 1.50000 3.52800 1.20400 1.000 C40 C 3.18000 3.39600 0.45900 1.000 C41 C 3.53000 4.65600 -0.33500 1.000 C42 C 4.23500 3.11200 1.53000 1.000 C43 C 3.00100 2.18100 -0.47900 1.000 C44 C 3.52600 0.95100 0.21500 1.000 H45 H -2.66200 0.09100 -2.29300 1.000 H46 H -0.92500 0.82700 -0.06500 1.000 H47 H 0.06800 -0.95800 -3.07300 1.000 H48 H -0.69100 -1.86100 -1.48900 1.000 H49 H 0.55400 -1.17200 -0.42000 1.000 H50 H -2.81300 -2.62800 -0.59200 1.000 H51 H -4.01100 -3.50700 1.37100 1.000 H52 H -3.11800 -3.12100 3.63400 1.000 H53 H -1.02700 -1.85600 3.93200 1.000 H54 H 0.17500 -0.98200 1.96900 1.000 H55 H -0.58400 1.77700 -2.35000 1.000 H56 H 5.46600 1.31900 -0.18900 1.000 H57 H 8.39400 0.85600 0.76000 1.000 H58 H 4.73600 -0.73600 1.77300 1.000 H59 H 3.55800 -1.55800 -1.10700 1.000 H60 H 4.03600 -3.52900 -2.49800 1.000 H61 H 6.86500 0.04300 2.40500 1.000 H62 H 7.80800 -3.97700 -0.56100 1.000 H63 H 6.16400 -4.74100 -2.22500 1.000 H64 H 8.47800 -1.59200 0.86100 1.000 H65 H 7.37300 -2.23900 2.11100 1.000 H66 H -10.81800 -0.13200 -0.43100 1.000 H67 H -9.52800 -2.21100 -0.16400 1.000 H68 H -6.52900 -2.81600 -0.73600 1.000 H69 H -6.01000 -2.28900 0.88300 1.000 H70 H -7.50300 -3.23900 0.69300 1.000 H71 H -6.73100 2.82000 -0.95600 1.000 H72 H -7.73700 3.28300 0.43700 1.000 H73 H -6.18000 2.46000 0.69800 1.000 H74 H -9.68100 2.04900 -0.33100 1.000 H75 H -5.02000 -0.85300 -1.38800 1.000 H76 H -5.08300 0.92400 -1.45900 1.000 H77 H 0.46900 3.72900 -1.00900 1.000 H78 H -0.29100 2.41900 -0.04900 1.000 H79 H 3.53500 5.51700 0.33400 1.000 H80 H 4.51600 4.54000 -0.78400 1.000 H81 H 2.78900 4.80900 -1.11900 1.000 H82 H 3.98600 2.18700 2.04900 1.000 H83 H 5.21300 3.01300 1.05900 1.000 H84 H 4.25800 3.93500 2.24500 1.000 H85 H 3.58700 2.34600 -1.38300 1.000