# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0X1' 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 -3.48100 -0.29600 0.99000 1.000 C1 C -4.81500 -0.40100 0.64400 1.000 C2 C -4.26000 -1.93000 -1.12800 1.000 C3 C 5.30000 0.00100 0.95900 1.000 C4 C 3.10200 -0.76600 1.49100 1.000 C5 C -2.52000 -1.01400 0.27200 1.000 C6 C 3.93000 0.10900 0.80500 1.000 C7 C -2.91500 -1.83700 -0.79400 1.000 C8 C -5.20200 -1.22300 -0.41000 1.000 C9 C 3.68700 -1.72500 2.31100 1.000 C10 C 5.07100 -1.77700 2.40600 1.000 C11 C -0.62600 -2.47100 -1.19400 1.000 C12 C 1.60400 -0.68000 1.35000 1.000 C13 C -1.10000 -0.91200 0.62800 1.000 C14 C -0.18500 -1.61700 -0.08200 1.000 C15 C 5.72000 -2.81700 3.28200 1.000 C16 C 3.34500 1.16500 -0.09600 1.000 N17 N 5.82300 -0.92300 1.74100 1.000 N18 N 1.16800 -1.53300 0.24100 1.000 N19 N -1.96600 -2.55600 -1.51700 1.000 O20 O 3.36900 4.33700 -0.93100 1.000 O21 O 3.31000 2.67700 -2.83100 1.000 O22 O 5.54700 3.69500 -2.25600 1.000 O23 O 2.91600 -2.60400 3.00300 1.000 C24 C -2.09600 -3.39900 -2.56300 1.000 O25 O 4.40000 1.93100 -0.68000 1.000 P26 P 4.13900 3.14900 -1.69900 1.000 O27 O -5.75200 0.30000 1.33600 1.000 C28 C -5.74600 1.65400 1.22500 1.000 C29 C -6.59400 2.42000 2.01300 1.000 C30 C -6.58600 3.79600 1.89900 1.000 C31 C -5.73300 4.41100 1.00000 1.000 C32 C -4.88700 3.65100 0.21400 1.000 C33 C -4.88800 2.27400 0.32900 1.000 N34 N -0.86400 -3.83700 -2.89500 1.000 O35 O -3.13900 -3.71000 -3.11000 1.000 N36 N 0.04800 -3.23800 -2.01600 1.000 H37 H -3.18200 0.34200 1.80900 1.000 H38 H -4.57000 -2.56500 -1.94400 1.000 H39 H 5.95000 0.67900 0.42700 1.000 H40 H -6.24700 -1.30000 -0.67300 1.000 H41 H 1.13300 -1.01700 2.27400 1.000 H42 H 1.31600 0.35200 1.15100 1.000 H43 H -0.78700 -0.28100 1.44700 1.000 H44 H 5.90600 -3.71900 2.69800 1.000 H45 H 6.66400 -2.43100 3.66600 1.000 H46 H 5.05800 -3.05400 4.11500 1.000 H47 H 2.76300 0.68800 -0.88400 1.000 H48 H 2.69800 1.82200 0.48700 1.000 H49 H 1.82100 -2.03800 -0.26800 1.000 H50 H 2.72400 -3.42100 2.52300 1.000 H51 H -7.26000 1.93900 2.71400 1.000 H52 H -7.24600 4.39200 2.51100 1.000 H53 H -5.72800 5.48800 0.91300 1.000 H54 H -4.22300 4.13400 -0.48700 1.000 H55 H -4.22400 1.68100 -0.28200 1.000 H56 H -0.64900 -4.45500 -3.61100 1.000 H57 H 3.85500 4.69600 -0.17600 1.000 H58 H 5.46600 4.43100 -2.87800 1.000