# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '980' 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 0.03300 3.01100 -1.36000 1.000 C1 C -0.08600 1.50900 -1.33600 1.000 C2 C 0.90300 0.71900 -1.72400 1.000 S3 S 0.44500 -0.96900 -1.57300 1.000 C4 C -1.14300 -0.53200 -0.96200 1.000 C5 C -1.25000 0.86000 -0.89500 1.000 N6 N -2.41000 1.38400 -0.43900 1.000 C7 C -3.40600 0.60800 -0.06500 1.000 N8 N -3.33100 -0.71900 -0.11300 1.000 C9 C -2.23600 -1.31900 -0.55700 1.000 N10 N -2.16200 -2.70200 -0.60400 1.000 C11 C -1.01800 -3.19500 0.17600 1.000 C12 C -0.93900 -4.71900 0.04700 1.000 O13 O -2.17600 -5.29300 0.47800 1.000 C14 C -3.31100 -4.83500 -0.26100 1.000 C15 C -3.41400 -3.31200 -0.13600 1.000 C16 C -4.65500 1.23600 0.42700 1.000 C17 C -4.78000 2.62700 0.49500 1.000 N18 N -5.90900 3.14800 0.93900 1.000 C19 C -6.91500 2.37200 1.31700 1.000 N20 N -6.83500 1.05000 1.26700 1.000 C21 C -5.74100 0.45300 0.82900 1.000 N22 N -8.08000 2.95800 1.77600 1.000 C23 C 2.23900 1.20200 -2.22600 1.000 N24 N 3.16600 1.34200 -1.09500 1.000 C25 C 4.39700 2.03100 -1.50400 1.000 C26 C 5.25400 2.31700 -0.26700 1.000 N27 N 5.46100 1.05500 0.46000 1.000 C28 C 4.28200 0.23800 0.78500 1.000 C29 C 3.46300 0.03400 -0.49300 1.000 C30 C 6.69800 0.65700 0.81700 1.000 O31 O 7.65900 1.34300 0.54000 1.000 C32 C 6.88700 -0.64000 1.56100 1.000 C33 C 6.22500 -0.54000 2.93700 1.000 O34 O 8.28300 -0.89700 1.72300 1.000 H35 H -0.30400 3.38700 -2.32600 1.000 H36 H -0.58400 3.43700 -0.56900 1.000 H37 H 1.07400 3.29600 -1.20300 1.000 H38 H -0.09800 -2.75000 -0.20500 1.000 H39 H -1.14800 -2.92400 1.22400 1.000 H40 H -0.75500 -4.98700 -0.99300 1.000 H41 H -0.12700 -5.09500 0.67000 1.000 H42 H -3.19600 -5.10700 -1.31100 1.000 H43 H -4.21500 -5.29600 0.13700 1.000 H44 H -3.58200 -3.04400 0.90700 1.000 H45 H -4.24400 -2.95300 -0.74400 1.000 H46 H -3.96400 3.26500 0.18900 1.000 H47 H -5.68300 -0.62500 0.79100 1.000 H48 H -8.15300 3.92400 1.81900 1.000 H49 H -8.82400 2.40200 2.05600 1.000 H50 H 2.64100 0.48300 -2.93900 1.000 H51 H 2.11500 2.16900 -2.71500 1.000 H52 H 4.95500 1.40000 -2.19600 1.000 H53 H 4.14100 2.97000 -1.99500 1.000 H54 H 6.21700 2.72400 -0.57500 1.000 H55 H 4.74200 3.03300 0.37600 1.000 H56 H 4.60200 -0.72900 1.17300 1.000 H57 H 3.67500 0.75200 1.53100 1.000 H58 H 2.53000 -0.47500 -0.25100 1.000 H59 H 4.03400 -0.56900 -1.19900 1.000 H60 H 6.43100 -1.45200 0.99600 1.000 H61 H 6.68100 0.27300 3.50200 1.000 H62 H 5.16000 -0.34400 2.81300 1.000 H63 H 6.36100 -1.47800 3.47500 1.000 H64 H 8.48000 -1.71800 2.19400 1.000