# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J15' 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 5.16800 0.58400 -0.68900 1.000 O1 O 5.09800 -0.80300 -0.35300 1.000 C2 C 3.78300 -1.14600 -0.37600 1.000 C3 C 3.40900 -2.47200 -0.20100 1.000 C4 C 2.07400 -2.82800 -0.22400 1.000 N5 N 1.68400 -4.24300 -0.03800 1.000 O6 O 2.53900 -5.09300 0.13400 1.000 O7 O 0.50700 -4.55900 -0.05700 1.000 C8 C 1.10200 -1.86600 -0.41400 1.000 C9 C 1.46900 -0.53200 -0.59500 1.000 C10 C 2.81700 -0.17400 -0.57300 1.000 C11 C 0.43100 0.50100 -0.80500 1.000 N12 N -0.87100 0.15300 -0.82600 1.000 C13 C -1.89900 1.17600 -1.03300 1.000 C14 C -3.28200 0.52100 -1.01400 1.000 C15 C -4.35500 1.58900 -1.23000 1.000 N16 N -5.68300 0.96000 -1.21200 1.000 C17 C -6.63900 1.97900 -1.66200 1.000 C18 C -8.06300 1.43200 -1.55100 1.000 N19 N -8.37400 1.14700 -0.14600 1.000 C20 C -9.70200 0.51800 -0.12700 1.000 C21 C -9.98600 -0.03200 1.27200 1.000 C22 C -11.36800 -0.68700 1.29200 1.000 N23 N -11.64100 -1.21600 2.63500 1.000 C24 C -7.41800 0.12800 0.30400 1.000 C25 C -5.99400 0.67400 0.19400 1.000 O26 O 0.75200 1.66300 -0.95700 1.000 C27 C 6.61400 0.95200 -1.03200 1.000 O28 O 7.04700 0.18900 -2.16000 1.000 C29 C 7.50800 0.64100 0.17200 1.000 O30 O 8.83300 1.11600 -0.07600 1.000 C31 C 6.93200 1.34600 1.40500 1.000 O32 O 7.02900 2.76200 1.23800 1.000 C33 C 5.46200 0.94900 1.56500 1.000 C34 C 4.88800 1.62200 2.81300 1.000 O35 O 3.55500 1.15700 3.03400 1.000 O36 O 4.72200 1.36400 0.41800 1.000 H37 H 4.53000 0.78100 -1.55100 1.000 H38 H 4.16500 -3.22900 -0.04800 1.000 H39 H 0.06000 -2.14700 -0.43100 1.000 H40 H 3.10700 0.85700 -0.70900 1.000 H41 H -1.12700 -0.77500 -0.70400 1.000 H42 H -1.74000 1.66100 -1.99600 1.000 H43 H -1.83800 1.91900 -0.23800 1.000 H44 H -3.44000 0.03600 -0.05000 1.000 H45 H -3.34300 -0.22200 -1.80900 1.000 H46 H -4.19600 2.07400 -2.19400 1.000 H47 H -4.29400 2.33200 -0.43500 1.000 H48 H -6.43000 2.24000 -2.69900 1.000 H49 H -6.54200 2.86800 -1.03800 1.000 H50 H -8.14500 0.51600 -2.13500 1.000 H51 H -8.76600 2.17100 -1.93600 1.000 H52 H -9.72800 -0.29700 -0.85000 1.000 H53 H -10.45800 1.25800 -0.38700 1.000 H54 H -9.96000 0.78300 1.99500 1.000 H55 H -9.22900 -0.77300 1.53200 1.000 H56 H -11.39400 -1.50300 0.56900 1.000 H57 H -12.12500 0.05300 1.03200 1.000 H58 H -11.71000 -0.41900 3.25100 1.000 H59 H -12.55800 -1.63600 2.60100 1.000 H60 H -7.62700 -0.13300 1.34200 1.000 H61 H -7.51500 -0.76100 -0.31900 1.000 H62 H -5.29100 -0.06500 0.57900 1.000 H63 H -5.91200 1.59100 0.77800 1.000 H64 H 6.67400 2.01500 -1.26600 1.000 H65 H 6.45800 0.41400 -2.89300 1.000 H66 H 7.53100 -0.43500 0.34300 1.000 H67 H 9.15600 0.64800 -0.85800 1.000 H68 H 7.49000 1.04400 2.29100 1.000 H69 H 7.96800 2.96800 1.14100 1.000 H70 H 5.38900 -0.13400 1.67000 1.000 H71 H 5.50600 1.37600 3.67600 1.000 H72 H 4.87700 2.70200 2.67000 1.000 H73 H 3.23100 1.60400 3.82700 1.000