# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CX2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P0 P -3.49900 1.00000 -0.06600 1.000 S1 S -3.16600 -4.16700 0.46000 1.000 N2 N 3.10000 0.03100 0.59700 1.000 C3 C 3.00100 -0.40000 -0.67400 1.000 O4 O 2.21200 0.14000 -1.43100 1.000 N5 N 3.75200 -1.40600 -1.11900 1.000 C6 C 4.61900 -2.01100 -0.31700 1.000 N7 N 5.38900 -3.04900 -0.78800 1.000 C8 C 4.74600 -1.58400 1.02000 1.000 C9 C 3.97600 -0.55900 1.45800 1.000 C10 C 2.26600 1.14400 1.05600 1.000 C11 C 2.65000 2.43300 0.30300 1.000 C12 C 1.33800 2.87300 -0.39000 1.000 O13 O 1.16900 4.29000 -0.30900 1.000 C14 C 0.26400 2.14000 0.45300 1.000 N15 N -3.43300 -0.39300 -1.00800 1.000 O16 O 0.88500 0.87400 0.76200 1.000 C17 C -1.01200 1.92900 -0.36500 1.000 O18 O -2.02300 1.35700 0.46800 1.000 C19 C -2.92500 -1.53100 -0.23100 1.000 C20 C -3.79400 -2.76100 -0.50000 1.000 O21 O -4.01500 2.12300 -0.88000 1.000 H22 H -4.01100 -5.16000 0.13000 1.000 H23 H 5.29900 -3.34000 -1.70900 1.000 H24 H 6.02200 -3.48900 -0.19900 1.000 H25 H 5.44700 -2.06600 1.68600 1.000 H26 H 4.05600 -0.21300 2.47800 1.000 H27 H 2.39800 1.28900 2.12800 1.000 H28 H 2.98800 3.19700 1.00200 1.000 H29 H 3.42200 2.22500 -0.43900 1.000 H30 H 1.31400 2.53900 -1.42700 1.000 H31 H 1.86900 4.79500 -0.74600 1.000 H32 H 0.04800 2.69400 1.36600 1.000 H33 H -4.33600 -0.60200 -1.40800 1.000 H34 H -1.35800 2.88700 -0.75200 1.000 H35 H -0.80300 1.25500 -1.19700 1.000 H36 H -1.89600 -1.74100 -0.52500 1.000 H37 H -2.95700 -1.28900 0.83100 1.000 H38 H -3.76100 -3.00400 -1.56200 1.000 H39 H -4.82200 -2.55100 -0.20600 1.000 O40 O -4.47800 0.75300 1.18900 1.000 H41 H -4.20100 0.03000 1.76800 1.000