# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CC1' 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 3.22200 -1.45600 -2.07500 1.000 N1 N 2.71500 -1.29100 -0.71000 1.000 C2 C 2.73800 -0.07600 -0.12600 1.000 C3 C 2.21700 0.09300 1.27700 1.000 N4 N 2.94000 1.18300 1.93700 1.000 C5 C 2.90000 2.42800 1.42200 1.000 C6 C 3.64400 3.54900 2.10100 1.000 O7 O 2.26600 2.64500 0.41100 1.000 C8 C 0.72500 0.42600 1.23100 1.000 C9 C 0.20400 0.59600 2.63500 1.000 C10 C -0.30100 -0.49100 3.32100 1.000 C11 C -0.77400 -0.33500 4.61000 1.000 P12 P -1.43100 -1.76500 5.51400 1.000 O13 O -3.03500 -1.79400 5.37800 1.000 O14 O -1.05900 -1.65900 6.94200 1.000 O15 O -0.81500 -3.11800 4.89800 1.000 C16 C -0.75000 0.90900 5.21000 1.000 P17 P -1.37600 1.11400 6.90000 1.000 O18 O -0.22600 0.70600 7.95100 1.000 O19 O -1.79600 2.65000 7.13500 1.000 O20 O -2.55600 0.24300 7.09800 1.000 C21 C -0.24900 1.99800 4.52200 1.000 C22 C 0.22700 1.84200 3.23400 1.000 O23 O 3.17700 0.87800 -0.73000 1.000 C24 C 3.53300 -2.93200 -2.33300 1.000 C25 C 2.55900 -3.82900 -1.59500 1.000 C26 C 1.13700 -3.77300 -2.11800 1.000 C27 C 0.50100 -2.41000 -1.83100 1.000 C28 C 0.87500 -1.46100 -2.95100 1.000 C29 C -0.09500 -1.05800 -3.84900 1.000 C30 C 0.23500 -0.18900 -4.87900 1.000 O31 O -0.71100 0.20900 -5.76400 1.000 C32 C -1.93100 -0.42400 -5.37700 1.000 C33 C -3.04700 -0.01300 -6.34000 1.000 C34 C -4.35400 -0.69300 -5.92600 1.000 C35 C -5.47000 -0.28200 -6.88800 1.000 C36 C -5.64800 1.23600 -6.84400 1.000 C37 C -4.34200 1.91600 -7.25800 1.000 C38 C -3.22600 1.50500 -6.29500 1.000 C39 C 1.55300 0.27300 -5.00100 1.000 C40 C 2.52000 -0.14400 -4.08300 1.000 C41 C 2.16900 -1.00300 -3.06700 1.000 C42 C 1.91600 1.19700 -6.09200 1.000 N43 N 3.18300 1.64000 -6.20600 1.000 O44 O 1.07100 1.55900 -6.88900 1.000 H45 H 4.12700 -0.86300 -2.20500 1.000 H46 H 2.36400 -2.05500 -0.22700 1.000 H47 H 2.36600 -0.83100 1.83400 1.000 H48 H 3.44800 1.00900 2.74500 1.000 H49 H 3.49500 4.47300 1.54300 1.000 H50 H 3.26800 3.67200 3.11600 1.000 H51 H 4.70800 3.31100 2.13400 1.000 H52 H 0.57600 1.35100 0.67300 1.000 H53 H 0.18700 -0.38400 0.73900 1.000 H54 H -0.31900 -1.46400 2.85200 1.000 H55 H -3.34300 -2.56700 5.87100 1.000 H56 H -1.08000 -3.14800 3.96800 1.000 H57 H -0.59900 0.82900 8.83500 1.000 H58 H -0.98600 3.17400 7.07100 1.000 H59 H -0.23100 2.97100 4.99000 1.000 H60 H 0.61900 2.69300 2.69600 1.000 H61 H 3.46500 -3.13200 -3.40200 1.000 H62 H 4.54600 -3.14900 -1.99300 1.000 H63 H 2.91300 -4.85700 -1.66600 1.000 H64 H 2.55200 -3.54100 -0.54400 1.000 H65 H 1.14400 -3.94500 -3.19400 1.000 H66 H 0.54700 -4.55200 -1.63500 1.000 H67 H -0.58200 -2.51400 -1.78500 1.000 H68 H 0.87500 -2.02400 -0.88300 1.000 H69 H -1.10800 -1.41900 -3.75000 1.000 H70 H -1.80400 -1.50600 -5.40900 1.000 H71 H -2.19500 -0.11900 -4.36400 1.000 H72 H -2.78400 -0.31800 -7.35200 1.000 H73 H -4.22700 -1.77500 -5.95800 1.000 H74 H -4.61700 -0.38800 -4.91300 1.000 H75 H -5.20700 -0.58700 -7.90100 1.000 H76 H -6.40100 -0.76600 -6.59400 1.000 H77 H -6.44300 1.52900 -7.52900 1.000 H78 H -5.91200 1.54100 -5.83100 1.000 H79 H -4.07800 1.61100 -8.27000 1.000 H80 H -4.46900 2.99800 -7.22600 1.000 H81 H -3.48900 1.81000 -5.28200 1.000 H82 H -2.29500 1.98900 -6.59000 1.000 H83 H 3.53800 0.20700 -4.16900 1.000 H84 H 3.42200 2.24800 -6.92400 1.000 H85 H 3.85700 1.35200 -5.57100 1.000