# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0XX' 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 -12.83200 2.63200 0.14800 1.000 C1 C -12.26900 3.14100 -1.00800 1.000 C2 C -10.95100 3.55000 -1.01500 1.000 C3 C -10.18700 3.45000 0.14500 1.000 C4 C -10.75900 2.93600 1.30800 1.000 C5 C -12.07800 2.53000 1.30400 1.000 C6 C -8.76900 3.88800 0.14400 1.000 C7 C -8.19900 4.40600 -1.01700 1.000 C8 C -6.12400 4.70600 0.14100 1.000 C9 C -6.68700 4.19600 1.29700 1.000 C10 C -8.00500 3.78700 1.30400 1.000 N11 N -14.54300 0.51700 -0.27300 1.000 O12 O 14.25400 -2.38500 -0.60500 1.000 C13 C 13.49800 -2.52500 0.33300 1.000 N14 N 13.79200 -3.40600 1.31000 1.000 O15 O 14.98400 -4.16700 1.24200 1.000 C16 C 12.22900 -1.71500 0.40500 1.000 N17 N 12.25100 -0.68100 -0.63200 1.000 S18 S 12.00000 0.90500 -0.22600 1.000 O19 O 11.37200 0.89800 1.04900 1.000 C20 C 13.58400 1.64100 0.00400 1.000 C21 C 14.23200 2.23000 -1.06600 1.000 C22 C 15.47300 2.80900 -0.89200 1.000 C23 C 16.07300 2.79700 0.36600 1.000 C24 C 17.40700 3.41800 0.56000 1.000 C25 C 18.00800 3.40700 1.81700 1.000 C26 C 19.24900 3.98500 1.99200 1.000 C27 C 19.89600 4.57500 0.92100 1.000 C28 C 19.30500 4.58900 -0.32900 1.000 C29 C 18.06700 4.00900 -0.51600 1.000 C30 C 15.41600 2.20200 1.44100 1.000 C31 C 14.17300 1.63200 1.25600 1.000 O32 O 11.43100 1.52700 -1.37000 1.000 O33 O 12.48600 -1.03700 -1.98200 1.000 C34 C 11.29500 -1.22000 -2.75100 1.000 C35 C 11.24100 -0.17200 -3.86500 1.000 C36 C 11.29500 -2.62000 -3.36800 1.000 C37 C 11.02500 -2.63300 0.18600 1.000 C38 C 9.73400 -1.83600 0.38200 1.000 N39 N 8.58100 -2.71500 0.17200 1.000 C40 C 7.33000 -2.22600 0.29400 1.000 O41 O 7.16000 -1.05900 0.57700 1.000 C42 C 6.14400 -3.13000 0.07800 1.000 C43 C 4.85300 -2.33300 0.27400 1.000 C44 C 3.64900 -3.25100 0.05500 1.000 N45 N 2.41200 -2.48800 0.24300 1.000 C46 C 1.21700 -3.09400 0.09900 1.000 O47 O 1.16500 -4.27400 -0.18700 1.000 C48 C -0.03000 -2.32400 0.28900 1.000 C49 C -1.26600 -2.94900 0.14000 1.000 C50 C 0.02800 -0.96900 0.62300 1.000 C51 C -1.13700 -0.24800 0.80100 1.000 C52 C -2.36500 -0.86000 0.64900 1.000 C53 C -2.43700 -2.21600 0.32100 1.000 C54 C -3.75300 -2.87200 0.16600 1.000 O55 O -3.81500 -4.05200 -0.12000 1.000 N56 N -4.88500 -2.16100 0.34100 1.000 C57 C -6.18900 -2.81100 0.18700 1.000 C58 C -7.30000 -1.78900 0.43700 1.000 C59 C -8.66200 -2.46800 0.27700 1.000 C60 C -9.75700 -1.46200 0.52300 1.000 O61 O -9.47500 -0.31500 0.80000 1.000 N62 N -11.04900 -1.83600 0.43600 1.000 C63 C -12.11300 -0.85800 0.67600 1.000 C64 C -13.47500 -1.53700 0.51500 1.000 C65 C -14.58600 -0.51500 0.76500 1.000 C66 C -15.92300 -1.20900 0.72800 1.000 O67 O -16.71100 -0.96000 -0.15900 1.000 N68 N -16.24400 -2.10600 1.68200 1.000 O69 O -17.50000 -2.75800 1.64700 1.000 O70 O -14.52300 0.14700 -1.63900 1.000 C71 C -15.81900 0.03300 -2.22900 1.000 C72 C -15.92300 0.98600 -3.42200 1.000 C73 C -16.03800 -1.40500 -2.70500 1.000 S74 S -14.51700 2.11800 0.15200 1.000 O75 O -14.95300 2.18100 1.50300 1.000 O76 O -15.15400 2.82400 -0.90400 1.000 C77 C -6.88000 4.81200 -1.01300 1.000 H78 H -12.86200 3.21800 -1.90700 1.000 H79 H -10.51300 3.94700 -1.91900 1.000 H80 H -10.17100 2.85600 2.21000 1.000 H81 H -12.52200 2.13100 2.20400 1.000 H82 H -8.78800 4.49000 -1.91800 1.000 H83 H -5.09200 5.02400 0.13900 1.000 H84 H -6.09300 4.11900 2.19600 1.000 H85 H -8.44300 3.39000 2.20800 1.000 H86 H 13.18700 -3.51800 2.06000 1.000 H87 H 15.10800 -4.77100 1.98700 1.000 H88 H 12.15400 -1.24500 1.38600 1.000 H89 H 13.76600 2.23800 -2.04000 1.000 H90 H 15.97800 3.26900 -1.72800 1.000 H91 H 17.50300 2.94700 2.65400 1.000 H92 H 19.71500 3.97700 2.96600 1.000 H93 H 20.86700 5.02700 1.06200 1.000 H94 H 19.81500 5.05100 -1.16100 1.000 H95 H 17.60600 4.02000 -1.49300 1.000 H96 H 15.87700 2.19100 2.41700 1.000 H97 H 13.66100 1.17400 2.08900 1.000 H98 H 10.42400 -1.10800 -2.10500 1.000 H99 H 10.34700 -0.32900 -4.46800 1.000 H100 H 11.21200 0.82500 -3.42500 1.000 H101 H 12.12500 -0.26600 -4.49500 1.000 H102 H 11.33400 -3.36600 -2.57400 1.000 H103 H 10.38700 -2.75900 -3.95400 1.000 H104 H 12.16600 -2.73200 -4.01400 1.000 H105 H 11.05400 -3.03400 -0.82700 1.000 H106 H 11.05800 -3.45400 0.90200 1.000 H107 H 9.70500 -1.43500 1.39500 1.000 H108 H 9.70100 -1.01500 -0.33500 1.000 H109 H 8.71700 -3.64800 -0.05400 1.000 H110 H 6.17300 -3.53100 -0.93600 1.000 H111 H 6.17700 -3.95100 0.79400 1.000 H112 H 4.82400 -1.93200 1.28700 1.000 H113 H 4.82000 -1.51300 -0.44300 1.000 H114 H 3.67700 -3.65200 -0.95900 1.000 H115 H 3.68200 -4.07100 0.77100 1.000 H116 H 2.45400 -1.54600 0.47100 1.000 H117 H -1.31700 -3.99700 -0.11400 1.000 H118 H 0.98500 -0.48400 0.74300 1.000 H119 H -1.08600 0.79900 1.06000 1.000 H120 H -3.27200 -0.29100 0.79000 1.000 H121 H -4.83600 -1.21900 0.56900 1.000 H122 H -6.28100 -3.20700 -0.82400 1.000 H123 H -6.27600 -3.62600 0.90600 1.000 H124 H -7.20900 -1.39300 1.44900 1.000 H125 H -7.21300 -0.97400 -0.28100 1.000 H126 H -8.75400 -2.86400 -0.73500 1.000 H127 H -8.74900 -3.28300 0.99500 1.000 H128 H -11.27400 -2.75300 0.21400 1.000 H129 H -12.02100 -0.46200 1.68700 1.000 H130 H -12.02600 -0.04300 -0.04300 1.000 H131 H -13.56600 -1.93300 -0.49600 1.000 H132 H -13.56100 -2.35200 1.23400 1.000 H133 H -14.44300 -0.05500 1.74300 1.000 H134 H -15.61400 -2.30500 2.39200 1.000 H135 H -17.63900 -3.38300 2.37200 1.000 H136 H -16.57900 0.29100 -1.49100 1.000 H137 H -15.88400 2.01600 -3.06800 1.000 H138 H -15.09300 0.80500 -4.10500 1.000 H139 H -16.86500 0.81600 -3.94200 1.000 H140 H -15.96400 -2.08400 -1.85600 1.000 H141 H -17.02700 -1.49200 -3.15500 1.000 H142 H -15.27800 -1.66300 -3.44300 1.000 H143 H -6.43700 5.21400 -1.91200 1.000