# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'HXC' 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 4.18300 -2.15500 -11.58200 1.000 C1 C 2.61300 -1.93700 -9.91700 1.000 C2 C 2.33100 -3.31000 -10.01800 1.000 C3 C 3.04200 -4.06500 -10.96600 1.000 C4 C 1.04900 -2.50000 -8.46800 1.000 N5 N 1.79400 -1.45400 -8.92900 1.000 N6 N 1.36600 -3.58700 -9.10900 1.000 N7 N 3.54100 -1.40800 -10.70800 1.000 N8 N 3.94900 -3.44800 -11.71700 1.000 N9 N 2.80400 -5.42000 -11.11500 1.000 C10 C 1.72600 -0.06900 -8.45800 1.000 C11 C 0.60700 0.70800 -9.19800 1.000 O12 O 1.09200 1.25200 -10.42700 1.000 C13 C 0.27300 1.83700 -8.18700 1.000 O14 O 0.95100 3.04300 -8.54300 1.000 C15 C 0.79000 1.29700 -6.83900 1.000 O16 O 1.31200 -0.02100 -7.07600 1.000 C17 C -0.35900 1.22800 -5.83200 1.000 O18 O 0.12700 0.72000 -4.58800 1.000 P19 P -1.12700 0.67500 -3.58100 1.000 O20 O -2.17400 -0.21100 -4.13700 1.000 O21 O -1.72200 2.15900 -3.39800 1.000 O22 O -0.64800 0.10800 -2.15200 1.000 P23 P -1.94600 0.09100 -1.19900 1.000 O24 O -2.98100 -0.78500 -1.79200 1.000 O25 O -2.52800 1.58500 -1.05600 1.000 O26 O -1.53800 -0.46700 0.25300 1.000 C27 C -2.72600 -0.45800 1.04800 1.000 C28 C -2.40500 -0.98100 2.45000 1.000 C29 C -3.67700 -0.97200 3.30000 1.000 C30 C -1.35100 -0.08300 3.10000 1.000 C31 C -1.86800 -2.41000 2.35100 1.000 O32 O -4.70000 -1.71600 2.63600 1.000 C33 C -3.39000 -1.59900 4.64000 1.000 O34 O -3.79900 -2.71300 4.88900 1.000 N35 N -2.67800 -0.92100 5.56300 1.000 C36 C -2.38200 -1.53800 6.85800 1.000 C37 C -1.56800 -0.56500 7.71200 1.000 C38 C -1.26300 -1.20000 9.04500 1.000 O39 O -1.65800 -2.32000 9.28700 1.000 N40 N -0.55100 -0.52200 9.96700 1.000 C41 C -0.25500 -1.13900 11.26200 1.000 C42 C 0.55800 -0.16600 12.11700 1.000 S43 S 0.92400 -0.92800 13.71700 1.000 P44 P -0.18000 4.16500 -8.76500 1.000 O45 O 0.51600 5.55900 -9.17000 1.000 O46 O -1.17400 3.70000 -9.94300 1.000 O47 O -0.94900 4.34500 -7.51300 1.000 C48 C 1.81600 0.33400 14.45200 1.000 C49 C 2.35600 0.16200 15.84800 1.000 C50 C 3.10800 1.42800 16.26300 1.000 O51 O 2.01200 1.36800 13.84800 1.000 C52 C 3.65600 1.25400 17.68100 1.000 C53 C 4.40800 2.52000 18.09600 1.000 C54 C 4.95700 2.34500 19.51400 1.000 H55 H 4.92800 -1.69300 -12.21200 1.000 H56 H 0.30600 -2.43500 -7.68700 1.000 H57 H 3.30100 -5.93100 -11.77300 1.000 H58 H 2.13900 -5.85900 -10.56200 1.000 H59 H 2.68800 0.42600 -8.58800 1.000 H60 H -0.25900 0.07000 -9.37100 1.000 H61 H 1.36800 0.50400 -10.97400 1.000 H62 H -0.80200 2.00400 -8.14400 1.000 H63 H 1.57800 1.94500 -6.45800 1.000 H64 H -1.13800 0.56800 -6.21400 1.000 H65 H -0.77000 2.22600 -5.68100 1.000 H66 H -1.01000 2.70300 -3.03400 1.000 H67 H -1.82400 2.12300 -0.66800 1.000 H68 H -3.47700 -1.09800 0.58500 1.000 H69 H -3.10900 0.55900 1.11800 1.000 H70 H -4.01100 0.05500 3.44400 1.000 H71 H -1.77900 0.90100 3.29000 1.000 H72 H -1.02700 -0.52600 4.04100 1.000 H73 H -0.49600 0.01500 2.43100 1.000 H74 H -2.61900 -3.04900 1.88800 1.000 H75 H -0.96200 -2.41600 1.74500 1.000 H76 H -1.64000 -2.78200 3.35000 1.000 H77 H -4.36500 -2.61700 2.52800 1.000 H78 H -2.36200 -0.02500 5.36900 1.000 H79 H -1.80900 -2.45200 6.70200 1.000 H80 H -3.31500 -1.77700 7.36800 1.000 H81 H -2.14100 0.34800 7.86800 1.000 H82 H -0.63500 -0.32600 7.20200 1.000 H83 H -0.23500 0.37300 9.77300 1.000 H84 H 0.31700 -2.05300 11.10700 1.000 H85 H -1.18800 -1.37800 11.77300 1.000 H86 H -0.01400 0.74700 12.27200 1.000 H87 H 1.49100 0.07200 11.60600 1.000 H88 H -0.19500 6.20200 -9.29400 1.000 H89 H -0.63500 3.59500 -10.73800 1.000 H90 H 3.03700 -0.68800 15.87200 1.000 H91 H 1.53100 -0.01200 16.53800 1.000 H92 H 2.42700 2.27900 16.24000 1.000 H93 H 3.93300 1.60400 15.57300 1.000 H94 H 4.33700 0.40300 17.70500 1.000 H95 H 2.83100 1.07800 18.37100 1.000 H96 H 3.72700 3.37100 18.07300 1.000 H97 H 5.23300 2.69600 17.40600 1.000 H98 H 5.49200 3.24700 19.81000 1.000 H99 H 4.13100 2.17000 20.20400 1.000 H100 H 5.63700 1.49400 19.53800 1.000