$coord
   -2.67643519898252      0.00007655416605     -0.44569757031190  c
   -1.69185708212357      0.00011493449952      2.05347376753848  c
    0.92312447251974      0.00014882723260      2.48380392773406  c
    2.67643519897377      0.00007655062612      0.44569757030237  c
    1.69185708210946      0.00011493045088     -2.05347376754893  c
   -2.98972109792273      0.00012401134397      3.67179100555459  h
    1.64262384469361      0.00029304606394      4.43162972412063  h
    2.98972109790186      0.00012399821593     -3.67179100556441  h
    5.44982727762624     -0.00006128907146      1.01187148835298  c
    7.34299284828845     -0.00018215497085     -0.68270718170477  c
    7.01347200671335     -0.00003164199713     -2.72786768151018  h
    5.91382339493086      0.00018017282386      3.03929606223838  h
    9.32467413788640     -0.00045458246397     -0.07801348938294  h
   -5.44982727762704     -0.00006128964949     -1.01187148835748  c
   -5.91382339495212      0.00018017016431     -3.03929606223775  h
   -7.34299284826442     -0.00018215689826      0.68270718171922  c
   -7.01347200666949     -0.00003164218543      2.72786768152132  h
   -9.32467413786192     -0.00045458718132      0.07801348941469  h
   -0.92312447253250      0.00014883047574     -2.48380392774679  c
   -1.64262384470740      0.00029305810255     -4.43162972413156  h
$user-defined bonds
$redundant
     number_of_atoms            20
     degrees_of_freedom         54
     internal_coordinates       54
     frozen_coordinates          0
# definitions of redundant internals
   1 k  1.0000000000000 stre   2    6           val=   2.07446
   2 k  0.7071067811876 bend   3    6    2      val=  -0.19220
       -0.7071067811855 bend   1    6    2
   3 k  1.0000000000000 outp   6    1    3    2 val=  -0.00016
   4 k  1.0000000000000 stre   3    7           val=   2.07646
   5 k  0.7071067811871 bend   2    7    3      val=   0.29816
       -0.7071067811860 bend   4    7    3
   6 k  1.0000000000000 outp   7    4    2    3 val=   0.00166
   7 k  1.0000000000000 stre   5    8           val=   2.07446
   8 k  0.7071067811876 bend  19    8    5      val=  -0.19220
       -0.7071067811855 bend   4    8    5
   9 k  1.0000000000000 outp   8    4   19    5 val=  -0.00016
  10 k  0.7071067811865 tors  11   10    9    4 val=  90.00548
        0.7071067811865 tors  13   10    9    4
  11 k  1.0000000000000 stre  10   11           val=   2.07154
  12 k  1.0000000000000 stre  10   13           val=   2.07189
  13 k  0.8162964409977 bend  13   11   10      val=  -2.92262
       -0.4238035810028 bend   9   11   10
       -0.3924928599907 bend   9   13   10
  14 k -0.0180772531619 bend  13   11   10      val=  -0.65714
       -0.6978948282763 bend   9   11   10
        0.7159720815670 bend   9   13   10
  15 k  1.0000000000000 outp  11    9   13   10 val=  -0.00039
  16 k  1.0000000000000 stre   9   12           val=   2.07984
  17 k  0.7071067812060 bend  10   12    9      val=   2.25616
       -0.7071067811671 bend   4   12    9
  18 k  1.0000000000000 outp  12    4   10    9 val=  -0.00660
  19 k  1.0000000000000 stre  14   15           val=   2.07984
  20 k  0.7071067812060 bend  16   15   14      val=   2.25616
       -0.7071067811671 bend   1   15   14
  21 k  1.0000000000000 outp  15    1   16   14 val=  -0.00660
  22 k  0.7071067811865 tors  17   16   14    1 val=  90.00548
        0.7071067811865 tors  18   16   14    1
  23 k  1.0000000000000 stre  16   17           val=   2.07154
  24 k  1.0000000000000 stre  16   18           val=   2.07189
  25 k  0.8162964409977 bend  18   17   16      val=  -2.92262
       -0.4238035810028 bend  14   17   16
       -0.3924928599907 bend  14   18   16
  26 k -0.0180772531619 bend  18   17   16      val=  -0.65714
       -0.6978948282763 bend  14   17   16
        0.7159720815670 bend  14   18   16
  27 k  1.0000000000000 outp  17   14   18   16 val=  -0.00039
  28 k  1.0000000000000 stre  19   20           val=   2.07646
  29 k  0.7071067811871 bend   5   20   19      val=   0.29816
       -0.7071067811860 bend   1   20   19
  30 k  1.0000000000000 outp  20    1    5   19 val=   0.00166
  31 k  0.7071067811865 tors  10    9    4    3 val=  89.99920
        0.7071067811865 tors  10    9    4    5
  32 k  1.0000000000000 stre   9   10           val=   2.54080
  33 k  1.0000000000000 bend   4   10    9      val= 126.63007
  34 k  0.7071067811865 tors  16   14    1    2 val=  89.99920
        0.7071067811865 tors  16   14    1   19
  35 k  1.0000000000000 stre  14   16           val=   2.54080
  36 k  1.0000000000000 bend   1   16   14      val= 126.63007
  37 k  1.0000000000000 stre   4    9           val=   2.83059
  38 k  0.7071067811944 bend   5    9    4      val=   1.93725
       -0.7071067811787 bend   3    9    4
  39 k  1.0000000000000 outp   9    3    5    4 val=   0.00052
  40 k  1.0000000000000 stre   1   14           val=   2.83059
  41 k  0.7071067811944 bend   2   14    1      val=   1.93725
       -0.7071067811787 bend  19   14    1
  42 k  1.0000000000000 outp  14   19    2    1 val=   0.00052
  43 k  1.0000000000000 stre   1    2           val=   2.68612
  44 k  1.0000000000000 stre   2    3           val=   2.65015
  45 k  1.0000000000000 stre   3    4           val=   2.68849
  46 k  1.0000000000000 stre   4    5           val=   2.68612
  47 k  1.0000000000000 stre   5   19           val=   2.65015
  48 k  1.0000000000000 stre  19    1           val=   2.68849
  49 k -0.2886751345948 bend   1    3    2      val=  -1.65509
       -0.2886751345948 bend   2    4    3
        0.5773502691896 bend   3    5    4
       -0.2886751345948 bend   4   19    5
       -0.2886751345948 bend   5    1   19
        0.5773502691896 bend  19    2    1
  50 k  0.5000000000000 bend   1    3    2      val=  -0.25582
       -0.5000000000000 bend   2    4    3
        0.5000000000000 bend   4   19    5
       -0.5000000000000 bend   5    1   19
  51 k -0.4082482904639 bend   1    3    2      val=   0.00000
        0.4082482904639 bend   2    4    3
       -0.4082482904639 bend   3    5    4
        0.4082482904639 bend   4   19    5
       -0.4082482904639 bend   5    1   19
        0.4082482904639 bend  19    2    1
  52 k -0.2886751345948 tors   2    3    4    5 val=  -0.00130
       -0.2886751345948 tors   3    4    5   19
        0.5773502691896 tors   4    5   19    1
       -0.2886751345948 tors   5   19    1    2
       -0.2886751345948 tors  19    1    2    3
        0.5773502691896 tors   1    2    3    4
  53 k  0.5000000000000 tors   2    3    4    5 val=   0.00267
       -0.5000000000000 tors   3    4    5   19
        0.5000000000000 tors   5   19    1    2
       -0.5000000000000 tors  19    1    2    3
  54 k -0.4082482904639 tors   2    3    4    5 val=   0.00000
        0.4082482904639 tors   3    4    5   19
       -0.4082482904639 tors   4    5   19    1
        0.4082482904639 tors   5   19    1    2
       -0.4082482904639 tors  19    1    2    3
        0.4082482904639 tors   1    2    3    4
        54 non zero eigenvalues  of BmBt
           1          11.068990320    1    0
         1
           2           7.668479825    2    0
         2
           3           6.333087548    3    0
         3
           4           5.183622603    4    0
         4
           5           4.498608667    5    0
         5
           6           4.375868012    6    0
         6
           7           4.188555462    7    0
         7
           8           3.981780466    8    0
         8
           9           3.819671440    9    0
         9
          10           3.758934950   10    0
        10
          11           3.668619947   11    0
        11
          12           3.529652179   12    0
        12
          13           3.362322641   13    0
        13
          14           3.172954045   14    0
        14
          15           3.032791483   15    0
        15
          16           2.671223159   16    0
        16
          17           2.412010228   17    0
        17
          18           2.291377652   18    0
        18
          19           2.186232785   19    0
        19
          20           2.023896272   20    0
        20
          21           1.896113805   21    0
        21
          22           1.623983216   22    0
        22
          23           1.543711429   23    0
        23
          24           1.400840351   24    0
        24
          25           1.382128245   25    0
        25
          26           1.078438382   26    0
        26
          27           1.070658281   27    0
        27
          28           0.992940908   28    0
        28
          29           0.881580921   29    0
        29
          30           0.880573401   30    0
        30
          31           0.585410958   31    0
        31
          32           0.584298477   32    0
        32
          33           0.508647267   33    0
        33
          34           0.385276597   34    0
        34
          35           0.362144090   35    0
        35
          36           0.353561862   36    0
        36
          37           0.348828227   37    0
        37
          38           0.345593187   38    0
        38
          39           0.333717670   39    0
        39
          40           0.330576642   40    0
        40
          41           0.278757835   41    0
        41
          42           0.266792000   42    0
        42
          43           0.248297260   43    0
        43
          44           0.192021805   44    0
        44
          45           0.174777673   45    0
        45
          46           0.115473859   46    0
        46
          47           0.104219984   47    0
        47
          48           0.101634027   48    0
        48
          49           0.078945291   49    0
        49
          50           0.071720716   50    0
        50
          51           0.060903596   51    0
        51
          52           0.025436867   52    0
        52
          53           0.013235903   53    0
        53
          54           0.010887662   54    0
        54
$end
