3 2 2 1 2 2 1 1 1 1 0 0 21212.56 0.100000 1.00000 !! Ogata et al. J.Mol.Struct. 144 (1986) 1-9. ! 3 2 2 1 5 2 1 1 1 4 0 0 21213.46 0.100000 1.00000 3 2 2 1 3 2 1 1 1 2 0 0 21213.46 0.100000 1.00000 3 2 2 1 4 2 1 1 1 3 0 0 21214.50 0.100000 1.00000 3 2 1 1 2 2 1 2 1 1 0 0 21259.38 0.100000 1.00000 ! 3 2 1 1 5 2 1 2 1 4 0 0 21265.06 0.100000 1.00000 3 2 1 1 3 2 1 2 1 2 0 0 21267.41 0.100000 1.00000 3 2 1 1 4 2 1 2 1 3 0 0 21273.11 0.100000 1.00000 5 1 5 1 4 4 0 4 1 3 0 0 20926.90 0.100000 1.00000 ! 5 1 5 1 7 4 0 4 1 6 0 0 20926.90 0.100000 1.00000 5 1 5 1 5 4 0 4 1 4 0 0 20924.38 0.100000 1.00000 5 1 5 1 6 4 0 4 1 5 0 0 20924.38 0.100000 1.00000 7 0 7 1 6 6 1 6 1 5 0 0 21054.14 0.100000 1.00000 ! 7 0 7 1 9 6 1 6 1 8 0 0 21054.98 0.100000 1.00000 7 0 7 1 7 6 1 6 1 6 0 0 21056.49 0.100000 1.00000 7 0 7 1 8 6 1 6 1 7 0 0 21057.57 0.100000 1.00000 19 3 16 1 20 19 2 17 1 20 0 0 17657.11 0.100000 1.00000 ! 19 3 16 1 19 19 2 17 1 19 0 0 17657.11 0.100000 1.00000 19 3 16 1 21 19 2 17 1 21 0 0 17657.71 0.100000 1.00000 19 3 16 1 18 19 2 17 1 18 0 0 17657.71 0.100000 1.00000 20 3 17 1 20 20 2 18 1 20 0 0 17600.77 0.100000 1.00000 ! 20 3 17 1 21 20 2 18 1 21 0 0 17600.77 0.100000 1.00000 20 3 17 1 22 20 2 18 1 22 0 0 17601.54 0.100000 1.00000 20 3 17 1 19 20 2 18 1 19 0 0 17601.54 0.100000 1.00000 21 3 18 1 21 21 2 19 1 21 0 0 17536.84 0.100000 1.00000 ! 21 3 18 1 22 21 2 19 1 22 0 0 17536.84 0.100000 1.00000 21 3 18 1 23 21 2 19 1 23 0 0 17537.68 0.100000 1.00000 21 3 18 1 20 21 2 19 1 20 0 0 17537.68 0.100000 1.00000 23 3 20 1 24 23 2 21 1 24 0 0 17384.72 0.100000 1.00000 ! 23 3 20 1 23 23 2 21 1 23 0 0 17384.72 0.100000 1.00000 23 3 20 1 25 23 2 21 1 25 0 0 17385.90 0.100000 1.00000 23 3 20 1 22 23 2 21 1 22 0 0 17385.90 0.100000 1.00000 1 1 1 0 1 0 0 0 0 2 0 0 7070.192602 0.0050000 1.00000 !! 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