# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J2A' 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 2.51900 -0.90500 0.40700 1.000 C1 C 4.63800 -0.06200 -0.41400 1.000 C2 C 7.00700 0.51900 0.25600 1.000 C3 C 9.00200 -0.60000 0.48200 1.000 C4 C 5.55900 2.18200 0.27600 1.000 C5 C 7.64100 1.70700 0.65500 1.000 C6 C -6.37700 0.18000 0.26500 1.000 C7 C -8.53100 0.51200 1.38400 1.000 C8 C -2.12600 -0.70200 0.80900 1.000 C9 C -3.09500 0.30600 0.14600 1.000 C10 C -4.12700 -0.64000 -0.51600 1.000 C11 C -7.82500 1.98100 -0.26400 1.000 C12 C -7.29400 -0.25700 1.21300 1.000 C13 C -5.62300 -1.63100 1.25500 1.000 C14 C -2.15300 -1.84200 -0.24000 1.000 C15 C -1.59700 -3.12500 0.34800 1.000 C16 C 4.00700 -0.77000 0.79500 1.000 C17 C 9.01200 1.65800 0.96100 1.000 C18 C 2.31800 0.11200 -0.72400 1.000 C19 C 1.38300 1.23500 -0.27100 1.000 N20 N -5.33500 -0.69400 0.30600 1.000 N21 N -6.66300 1.30700 -0.46300 1.000 N22 N -8.07300 3.10200 -1.01000 1.000 N23 N -8.72200 1.60000 0.62100 1.000 N24 N -6.78200 -1.36900 1.78900 1.000 N25 N 5.69600 0.84900 0.02400 1.000 N26 N 7.71900 -0.60100 0.18700 1.000 N27 N 9.64200 0.49300 0.85800 1.000 N28 N 9.69000 2.79700 1.35900 1.000 N29 N 6.70100 2.68400 0.64600 1.000 O30 O -0.81900 -0.18000 0.97300 1.000 O31 O -2.42900 1.05000 -0.86900 1.000 O32 O -1.08000 2.41600 0.77400 1.000 O33 O -9.37000 0.17000 2.20300 1.000 O34 O -3.54200 -1.94900 -0.60200 1.000 O35 O -0.19300 -2.95000 0.59000 1.000 O36 O 2.26900 -2.23900 -0.03200 1.000 O37 O 4.59200 -2.06200 0.96300 1.000 O38 O 3.59500 0.66500 -1.06000 1.000 O39 O 0.19000 1.21900 -1.05500 1.000 O40 O 0.33700 -1.79600 -1.59600 1.000 P41 P -1.15600 2.00400 -0.64900 1.000 P42 P 0.86700 -2.76800 -0.60900 1.000 S43 S -1.35200 3.73100 -1.86500 1.000 S44 S 1.16200 -4.63800 -1.56800 1.000 H45 H 1.88700 -0.66100 1.26100 1.000 H46 H 5.04900 -0.80700 -1.09700 1.000 H47 H 9.55200 -1.52700 0.41600 1.000 H48 H 4.63900 2.73900 0.18200 1.000 H49 H -2.53600 -1.05300 1.75500 1.000 H50 H -3.57000 0.93900 0.87900 1.000 H51 H -4.36200 -0.27900 -1.51200 1.000 H52 H -4.98700 -2.46200 1.52300 1.000 H53 H -1.58900 -1.53000 -1.11400 1.000 H54 H -2.10100 -3.36400 1.28300 1.000 H55 H -1.73200 -3.94900 -0.35800 1.000 H56 H 4.12100 -0.17300 1.69500 1.000 H57 H 1.90100 -0.38100 -1.60200 1.000 H58 H 1.13800 1.10900 0.78100 1.000 H59 H 1.88600 2.19900 -0.40500 1.000 H60 H -6.02900 1.62600 -1.12500 1.000 H61 H -7.42400 3.40100 -1.66600 1.000 H62 H -8.89700 3.59700 -0.88300 1.000 H63 H 9.21900 3.64200 1.43100 1.000 H64 H 10.63600 2.75000 1.56700 1.000 H65 H -0.19800 -0.79500 1.38600 1.000 H66 H 5.54300 -2.04300 1.13700 1.000 H67 H -0.23600 4.42700 -1.58500 1.000 H68 H -0.07200 -4.95500 -1.99900 1.000