$ufftopology
nxtnei12
    1     3
          2    14    19
    2     3
          1     3     4
    3     1
          2
    4     3
          2     5     6
    5     1
          4
    6     3
          4     7     9
    7     3
          6     8    19
    8     1
          7
    9     3
          6    10    11
   10     1
          9
   11     3
          9    12    13
   12     1
         11
   13     1
         11
   14     3
          1    15    16
   15     1
         14
   16     3
         14    17    18
   17     1
         16
   18     1
         16
   19     3
          1     7    20
   20     1
         19
nxtnei13
    1     6
          3     4    15    16     7    20
    2     4
         14    19     5     6
    3     2
          1     4
    4     4
          1     3     7     9
    5     2
          2     6
    6     6
          2     5     8    19    10    11
    7     4
          4     9     1    20
    8     2
          6    19
    9     4
          4     7    12    13
   10     2
          6    11
   11     2
          6    10
   12     2
          9    13
   13     2
          9    12
   14     4
          2    19    17    18
   15     2
          1    16
   16     2
          1    15
   17     2
         14    18
   18     2
         14    17
   19     4
          2    14     6     8
   20     2
          1     7
nxtnei14
    1     5
          5     6    17    18     8
    2     5
         15    16     7    20     9
    3     4
         14    19     5     6
    4     5
         14    19     8    10    11
    5     4
          1     3     7     9
    6     5
          1     3    20    12    13
    7     5
          2     5    10    11    14
    8     4
          4     9     1    20
    9     4
          2     5     8    19
   10     4
          4     7    12    13
   11     2
          4     7
   12     2
          6    10
   13     2
          6    10
   14     4
          3     4     7    20
   15     4
          2    19    17    18
   16     2
          2    19
   17     2
          1    15
   18     2
          1    15
   19     5
          3     4    15    16     9
   20     4
          2    14     6     8
connectivity (= bond)
           20
     1     2   2.685301   2.000000
     1    14   2.829870   2.000000
     1    19   2.687223   2.000000
     2     3   2.074601   1.000000
     2     4   2.650051   2.000000
     4     5   2.077304   1.000000
     4     6   2.687223   2.000000
     6     7   2.685301   2.000000
     6     9   2.831453   2.000000
     7     8   2.074601   1.000000
     7    19   2.650051   2.000000
     9    10   2.079531   1.000000
     9    11   2.539994   2.000000
    11    12   2.071238   1.000000
    11    13   2.071507   1.000000
    14    15   2.079248   1.000000
    14    16   2.541766   2.000000
    16    17   2.071238   1.000000
    16    18   2.071507   1.000000
    19    20   2.077304   1.000000
angle
           30
     1     2     3     2     119.76       1.00       4.00
     1     2     4     2     120.84       1.00       5.00
     1    14    15     2     114.49       2.00      16.00
     1    14    16     2     126.57       2.00      17.00
     1    19     7     2     121.36       3.00      11.00
     1    19    20     2     119.04       3.00      20.00
     2     1    14     2     123.06       1.00       2.00
     2     1    19     2     117.79       1.00       3.00
     2     4     5     2     119.59       5.00       6.00
     2     4     6     2     121.36       5.00       7.00
     3     2     4     2     119.39       4.00       5.00
     4     6     7     2     117.79       7.00       8.00
     4     6     9     2     119.17       7.00       9.00
     5     4     6     2     119.04       6.00       7.00
     6     7     8     2     119.76       8.00      10.00
     6     7    19     2     120.84       8.00      11.00
     6     9    10     2     114.42       9.00      12.00
     6     9    11     2     126.58       9.00      13.00
     7     6     9     2     123.04       8.00       9.00
     7    19    20     2     119.59      11.00      20.00
     8     7    19     2     119.39      10.00      11.00
     9    11    12     2     122.65      13.00      14.00
     9    11    13     2     121.22      13.00      15.00
    10     9    11     2     119.00      12.00      13.00
    12    11    13     2     116.13      14.00      15.00
    14     1    19     2     119.15       2.00       3.00
    14    16    17     2     122.64      17.00      18.00
    14    16    18     2     121.23      17.00      19.00
    15    14    16     2     118.93      16.00      17.00
    17    16    18     2     116.13      18.00      19.00
torsion
           40
    14     1     2     3     1     3   0.00000000 123.06396706 119.76430140
    14     1     2     4     1     3 180.00000000 123.06396706 120.84463866
    19     1     2     3     1     3 180.00000000 117.79044248 119.76430140
    19     1     2     4     1     3   0.00000000 117.79044248 120.84463866
     2     1    14    15     2     3 180.00000000 123.06396706 114.49200370
     2     1    14    16     2     3   0.00000000 123.06396706 126.57442967
    19     1    14    15     2     3   0.00000000 119.14559046 114.49200370
    19     1    14    16     2     3 180.00000000 119.14559046 126.57442967
     2     1    19     7     3     3   0.00000000 117.79044248 121.36491886
     2     1    19    20     3     3 180.00000000 117.79044248 119.04147085
    14     1    19     7     3     3 180.00000000 119.14559046 121.36491886
    14     1    19    20     3     3   0.00000000 119.14559046 119.04147085
     1     2     4     5     5     3 180.00000000 120.84463866 119.59361029
     1     2     4     6     5     3   0.00000000 120.84463866 121.36491886
     3     2     4     5     5     3   0.00000000 119.39105994 119.59361029
     3     2     4     6     5     3 180.00000000 119.39105994 121.36491886
     2     4     6     7     7     3   0.00000000 121.36491886 117.79044248
     2     4     6     9     7     3 180.00000000 121.36491886 119.16645297
     5     4     6     7     7     3 180.00000000 119.04147085 117.79044248
     5     4     6     9     7     3   0.00000000 119.04147085 119.16645297
     4     6     7     8     8     3 180.00000000 117.79044248 119.76430140
     4     6     7    19     8     3   0.00000000 117.79044248 120.84463866
     9     6     7     8     8     3   0.00000000 123.04310455 119.76430140
     9     6     7    19     8     3 180.00000000 123.04310455 120.84463866
     4     6     9    10     9     3   0.00000000 119.16645297 114.41965656
     4     6     9    11     9     3 180.00000000 119.16645297 126.58046024
     7     6     9    10     9     3 180.00000000 123.04310455 114.41965656
     7     6     9    11     9     3   0.00000000 123.04310455 126.58046024
     6     7    19     1    11     3   0.00000000 120.84463866 121.36491886
     6     7    19    20    11     3 180.00000000 120.84463866 119.59361029
     8     7    19     1    11     3 180.00000000 119.39105994 121.36491886
     8     7    19    20    11     3   0.00000000 119.39105994 119.59361029
     6     9    11    12    13     3   0.00000000 126.58046024 122.65009270
     6     9    11    13    13     3 180.00000000 126.58046024 121.21680648
    10     9    11    12    13     3 180.00000000 118.99988320 122.65009270
    10     9    11    13    13     3   0.00000000 118.99988320 121.21680648
     1    14    16    17    17     3   0.00000000 126.57442967 122.63526076
     1    14    16    18    17     3 180.00000000 126.57442967 121.23163842
    15    14    16    17    17     3 180.00000000 118.93356663 122.63526076
    15    14    16    18    17     3   0.00000000 118.93356663 121.23163842
inversion
           10
     1     2    14    19    11    11    11    0.000    0.000    0.000
     2     1     3     4    11    11    11    0.000    0.000    0.000
     4     2     5     6    11    11    11    0.000    0.000    0.000
     6     4     7     9    11    11    11    0.000    0.000    0.000
     7     6     8    19    11    11    11    0.000    0.000    0.000
     9     6    10    11    11    11    11    0.000    0.000    0.000
    11     9    12    13    11    11    11    0.000    0.000    0.000
    14     1    15    16    11    11    11    0.000    0.000    0.000
    16    14    17    18    11    11    11    0.000    0.000    0.000
    19     1     7    20    11    11    11    0.000    0.000    0.000
nonbond
          140
    1     5    6.514
    1     6    5.426
    1     8    6.519
    1     9    8.256
    1    10    9.270
    1    11   10.020
    1    12    9.950
    1    13   12.005
    1    17    5.371
    1    18    6.668
    2     7    5.320
    2     8    7.394
    2     9    7.217
    2    10    7.669
    2    11    9.438
    2    12    9.927
    2    13   11.220
    2    15    6.615
    2    16    5.813
    2    17    5.360
    2    18    7.882
    2    20    6.485
    3     5    4.694
    3     6    6.519
    3     7    7.394
    3     8    9.469
    3     9    8.849
    3    10    8.926
    3    11   11.211
    3    12   11.871
    3    13   12.872
    3    14    5.290
    3    15    7.320
    3    16    5.278
    3    17    4.129
    3    18    7.280
    3    19    6.491
    3    20    8.214
    4     8    6.491
    4    10    5.021
    4    11    7.156
    4    12    8.012
    4    13    8.783
    4    14    7.268
    4    15    8.789
    4    16    8.458
    4    17    7.936
    4    18   10.524
    4    19    5.298
    4    20    7.375
    5     7    6.485
    5     8    8.214
    5     9    5.118
    5    10    4.492
    5    11    7.658
    5    12    8.948
    5    13    8.909
    5    14    8.940
    5    15   10.626
    5    16    9.734
    5    17    8.818
    5    18   11.797
    5    19    7.375
    5    20    9.452
    6    12    5.371
    6    13    6.668
    6    14    8.254
    6    15    9.270
    6    16   10.020
    6    17    9.950
    6    18   12.005
    6    20    6.514
    7    10    6.615
    7    11    5.813
    7    12    5.360
    7    13    7.882
    7    14    7.215
    7    15    7.669
    7    16    9.438
    7    17    9.927
    7    18   11.220
    8     9    5.290
    8    10    7.320
    8    11    5.278
    8    12    4.129
    8    13    7.280
    8    14    8.847
    8    15    8.926
    8    16   11.211
    8    17   11.871
    8    18   12.872
    8    20    4.694
    9    14   11.085
    9    15   12.064
    9    16   12.796
    9    17   12.577
    9    18   14.803
    9    19    7.269
    9    20    8.941
   10    12    5.870
   10    13    4.622
   10    14   12.063
   10    15   13.298
   10    16   13.463
   10    17   12.926
   10    18   15.521
   10    19    8.789
   10    20   10.626
   11    14   12.794
   11    15   13.463
   11    16   14.746
   11    17   14.750
   11    18   16.682
   11    19    8.458
   11    20    9.734
   12    14   12.575
   12    15   12.926
   12    16   14.750
   12    17   15.042
   12    18   16.572
   12    19    7.936
   12    20    8.818
   13    14   14.801
   13    15   15.521
   13    16   16.682
   13    17   16.572
   13    18   18.647
   13    19   10.524
   13    20   11.797
   14    20    5.116
   15    17    5.870
   15    18    4.622
   15    19    5.021
   15    20    4.492
   16    19    7.156
   16    20    7.658
   17    19    8.012
   17    20    8.948
   18    19    8.783
   18    20    8.909
qpartial
           20
         0.04674   -0.09638    0.10897   -0.11854    0.09965    0.04672
        -0.09638    0.10897   -0.14428    0.13397   -0.31005    0.14150
         0.13845   -0.14422    0.13393   -0.31009    0.14149    0.13844
        -0.11849    0.09961
$end
