# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CIC' 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 -7.83700 -2.03100 -6.94900 1.000 C1 C -7.03900 -1.92500 -7.99500 1.000 N2 N -5.78200 -1.54700 -7.89000 1.000 C3 C -5.26200 -1.24800 -6.70400 1.000 C4 C -6.06900 -1.35100 -5.55900 1.000 C5 C -7.40400 -1.75800 -5.72200 1.000 N6 N -8.24800 -1.87200 -4.63200 1.000 N7 N -5.30300 -1.00100 -4.49800 1.000 C8 C -4.10500 -0.70200 -4.90800 1.000 N9 N -4.02800 -0.84200 -6.26200 1.000 C10 C -2.84700 -0.59800 -7.09300 1.000 C11 C -2.74700 0.89900 -7.47900 1.000 O12 O -3.51000 1.17400 -8.65500 1.000 C13 C -1.22900 1.06200 -7.75500 1.000 O14 O -0.96300 0.97900 -9.15600 1.000 P15 P -0.25200 2.36000 -9.57800 1.000 O16 O 1.00400 2.52200 -8.81400 1.000 O17 O 0.07700 2.33500 -11.15400 1.000 O18 O -1.23800 3.59100 -9.25600 1.000 C19 C -0.58300 -0.11800 -7.00500 1.000 O20 O -1.63800 -0.83400 -6.34000 1.000 C21 C 0.41900 0.40500 -5.97400 1.000 O22 O 1.00700 -0.69600 -5.27900 1.000 P23 P 2.04500 -0.07500 -4.21700 1.000 O24 O 3.07800 0.70300 -4.93600 1.000 O25 O 1.25800 0.88900 -3.19700 1.000 O26 O 2.74800 -1.26700 -3.39500 1.000 P27 P 3.76800 -0.57800 -2.35700 1.000 O28 O 4.77500 0.20800 -3.10400 1.000 O29 O 2.95200 0.39400 -1.36800 1.000 O30 O 4.51000 -1.71900 -1.49600 1.000 C31 C 6.13700 -2.08000 0.25300 1.000 C32 C 5.39700 -1.04800 -0.59900 1.000 C33 C 5.12500 -2.90000 1.05500 1.000 C34 C 6.94100 -3.01100 -0.65600 1.000 C35 C 7.08700 -1.36100 1.21400 1.000 O36 O 8.11500 -0.70700 0.46700 1.000 C37 C 6.31700 -0.34000 2.01100 1.000 O38 O 6.48300 0.84200 1.80100 1.000 N39 N 5.44400 -0.74100 2.95600 1.000 C40 C 4.75600 0.25000 3.78600 1.000 C41 C 3.82800 -0.46300 4.77100 1.000 C42 C 3.12100 0.55600 5.62400 1.000 O43 O 3.33600 1.73900 5.46100 1.000 N44 N 2.24800 0.15500 6.57000 1.000 C45 C 1.55900 1.14700 7.39900 1.000 C46 C 0.63200 0.43300 8.38500 1.000 S47 S -0.21900 1.66100 9.41200 1.000 C48 C -1.21900 0.56200 10.45300 1.000 C49 C -2.04800 1.39900 11.43000 1.000 C50 C -2.89100 0.47300 12.30800 1.000 O51 O -2.03000 -0.40100 13.04100 1.000 C52 C -3.81200 -0.34200 11.43700 1.000 O53 O -3.73900 -1.54800 11.44400 1.000 O54 O -4.71300 0.27000 10.65400 1.000 C55 C -3.72000 1.30900 13.28400 1.000 C56 C -4.55000 0.39600 14.14900 1.000 O57 O -4.48600 -0.80000 13.99900 1.000 O58 O -5.36200 0.91300 15.08500 1.000 H59 H -7.43200 -2.15700 -8.97400 1.000 H60 H -9.16800 -2.15400 -4.75700 1.000 H61 H -7.92100 -1.67000 -3.74100 1.000 H62 H -3.29200 -0.38900 -4.27100 1.000 H63 H -2.87100 -1.22400 -7.98600 1.000 H64 H -3.06400 1.53500 -6.65300 1.000 H65 H -4.43100 0.96500 -8.44600 1.000 H66 H -0.86800 2.01000 -7.35500 1.000 H67 H 0.50000 3.17800 -11.36500 1.000 H68 H -2.04300 3.44800 -9.77300 1.000 H69 H -0.07800 -0.77500 -7.71200 1.000 H70 H -0.09400 1.05100 -5.26300 1.000 H71 H 1.19900 0.97200 -6.48200 1.000 H72 H 0.59600 0.34300 -2.75100 1.000 H73 H 2.30800 -0.15600 -0.90200 1.000 H74 H 4.82400 -0.38400 0.04900 1.000 H75 H 6.11800 -0.46300 -1.17000 1.000 H76 H 4.47000 -2.22700 1.60900 1.000 H77 H 4.52900 -3.50800 0.37400 1.000 H78 H 5.65400 -3.54900 1.75300 1.000 H79 H 7.70700 -2.43700 -1.17700 1.000 H80 H 7.41400 -3.78700 -0.05500 1.000 H81 H 6.27400 -3.47200 -1.38500 1.000 H82 H 7.53600 -2.08700 1.89100 1.000 H83 H 7.67600 -0.07500 -0.11700 1.000 H84 H 5.27100 -1.68600 3.08700 1.000 H85 H 5.49100 0.83500 4.33800 1.000 H86 H 4.16900 0.91200 3.14900 1.000 H87 H 3.09300 -1.04800 4.21900 1.000 H88 H 4.41500 -1.12500 5.40800 1.000 H89 H 2.07500 -0.78900 6.70100 1.000 H90 H 2.29500 1.73200 7.95200 1.000 H91 H 0.97200 1.80900 6.76300 1.000 H92 H -0.10300 -0.15100 7.83300 1.000 H93 H 1.21900 -0.22800 9.02200 1.000 H94 H -1.88500 -0.02700 9.82400 1.000 H95 H -0.56300 -0.10300 11.01300 1.000 H96 H -1.38100 1.98900 12.05900 1.000 H97 H -2.70400 2.06600 10.87000 1.000 H98 H -1.45900 0.15900 13.58300 1.000 H99 H -5.30400 -0.25200 10.09600 1.000 H100 H -3.05300 1.89900 13.91300 1.000 H101 H -4.37600 1.97600 12.72400 1.000 H102 H -5.89400 0.32800 15.64000 1.000