# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CMC' 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 -5.17600 7.34800 0.93800 1.000 C1 C -5.97700 6.49000 1.54200 1.000 N2 N -5.90400 5.19100 1.33800 1.000 C3 C -5.00400 4.68600 0.50100 1.000 C4 C -4.12800 5.55800 -0.16700 1.000 C5 C -4.24500 6.93600 0.08300 1.000 N6 N -3.41000 7.84300 -0.54500 1.000 N7 N -3.32500 4.79600 -0.94800 1.000 C8 C -3.64400 3.54300 -0.80400 1.000 N9 N -4.67500 3.42300 0.07900 1.000 C10 C -5.31400 2.17400 0.50100 1.000 C11 C -6.57500 1.89000 -0.35300 1.000 O12 O -7.72100 2.54600 0.19500 1.000 C13 C -6.70900 0.35300 -0.23400 1.000 O14 O -7.66200 0.01000 0.77500 1.000 P15 P -8.97600 -0.87200 0.47700 1.000 O16 O -8.57800 -2.15100 -0.15200 1.000 O17 O -9.74700 -1.17000 1.85800 1.000 O18 O -9.95000 -0.06500 -0.51800 1.000 C19 C -5.30000 -0.11900 0.17400 1.000 O20 O -4.45800 1.04500 0.22300 1.000 C21 C -4.76200 -1.10700 -0.86200 1.000 O22 O -3.50700 -1.62700 -0.41800 1.000 P23 P -2.65200 -2.69800 -1.26400 1.000 O24 O -2.41100 -2.17100 -2.62600 1.000 O25 O -3.47000 -4.08100 -1.36100 1.000 O26 O -1.24200 -2.95800 -0.53100 1.000 P27 P 0.17500 -3.55000 -1.01300 1.000 O28 O -0.05100 -4.69600 -1.92100 1.000 O29 O 0.99900 -2.40500 -1.78800 1.000 O30 O 1.01600 -4.04000 0.27000 1.000 C31 C 2.79600 -5.03300 1.56900 1.000 C32 C 2.27400 -4.70900 0.16700 1.000 C33 C 2.97100 -3.73500 2.36000 1.000 C34 C 1.79500 -5.93800 2.28900 1.000 C35 C 4.14400 -5.74900 1.45800 1.000 O36 O 3.95700 -7.02200 0.83700 1.000 C37 C 5.08700 -4.91800 0.62700 1.000 O38 O 5.43800 -5.30900 -0.46600 1.000 N39 N 5.54200 -3.74000 1.09900 1.000 C40 C 6.38100 -2.88700 0.25400 1.000 C41 C 6.75800 -1.62000 1.02300 1.000 C42 C 7.62200 -0.74200 0.15400 1.000 O43 O 7.90700 -1.09600 -0.97100 1.000 N44 N 8.07600 0.43500 0.62600 1.000 C45 C 8.91500 1.28800 -0.22000 1.000 C46 C 9.29200 2.55600 0.54900 1.000 S47 S 10.33200 3.61200 -0.49700 1.000 C48 C 10.66900 5.03900 0.57100 1.000 C49 C 11.53700 6.02500 -0.16800 1.000 O50 O 11.89100 5.78900 -1.29900 1.000 O51 O 11.91600 7.16500 0.43000 1.000 H52 H -6.72000 6.86700 2.22900 1.000 H53 H -3.50000 8.79200 -0.36400 1.000 H54 H -2.73400 7.53000 -1.16700 1.000 H55 H -3.16300 2.71900 -1.31100 1.000 H56 H -5.56900 2.21300 1.56000 1.000 H57 H -6.41800 2.18800 -1.39000 1.000 H58 H -7.64500 3.51000 0.22500 1.000 H59 H -6.99600 -0.08100 -1.19200 1.000 H60 H -10.55000 -1.69800 1.75500 1.000 H61 H -10.25100 0.78600 -0.17000 1.000 H62 H -5.33700 -0.59100 1.15600 1.000 H63 H -5.47100 -1.92600 -0.98600 1.000 H64 H -4.62700 -0.59700 -1.81600 1.000 H65 H -3.66500 -4.48400 -0.50400 1.000 H66 H 1.18400 -1.62200 -1.25200 1.000 H67 H 2.14900 -5.63300 -0.39700 1.000 H68 H 2.98700 -4.06400 -0.34600 1.000 H69 H 1.99600 -3.28300 2.53700 1.000 H70 H 3.44900 -3.95400 3.31500 1.000 H71 H 3.59400 -3.04400 1.79200 1.000 H72 H 1.71500 -6.88700 1.75800 1.000 H73 H 2.13700 -6.11900 3.30800 1.000 H74 H 0.81900 -5.45300 2.31400 1.000 H75 H 4.56300 -5.88900 2.45400 1.000 H76 H 3.58500 -6.97400 -0.05500 1.000 H77 H 5.31300 -3.45700 1.99800 1.000 H78 H 7.28700 -3.42800 -0.02200 1.000 H79 H 5.83200 -2.61500 -0.64700 1.000 H80 H 5.85200 -1.07900 1.29900 1.000 H81 H 7.30800 -1.89100 1.92400 1.000 H82 H 7.84700 0.71900 1.52500 1.000 H83 H 9.82100 0.74800 -0.49500 1.000 H84 H 8.36600 1.56000 -1.12100 1.000 H85 H 8.38700 3.09600 0.82500 1.000 H86 H 9.84200 2.28400 1.45100 1.000 H87 H 9.72900 5.51700 0.84600 1.000 H88 H 11.18400 4.70500 1.47100 1.000 H89 H 12.47200 7.76700 -0.08300 1.000