* LIGAND DATABASE FILE (OPLS2005)
*
001      68    68    122    176     357
    1     0 S   NP   _N1_     1    28.14927    97.83248   -22.63628
    2     1 S   H    _HN1     2     1.02956    69.86897   -10.19518
    3     1 S   H    _H1_     3     1.02837    39.56158   148.96638
    4     1 S   H    _H2_     4     1.02779   107.42990  -113.84833
    5     1 S   CT   _CA1     5     1.50150   137.30587    88.43751
    6     5 S   HC   _HA1     6     1.09577   105.18785    95.62372
    7     5 S   CO3  _C1_     7     1.53752   112.27565   -24.51999
    8     7 S   O2Z  _O11     8     1.26365   114.98893   -45.39491
    9     7 S   O2Z  _O12     9     1.26221   114.90857   133.49573
   10     5 S   CT   _CB1    10     1.53072   107.40232  -146.52526
   11    10 S   HC   HB11    11     1.09834   109.25814   -50.40594
   12    10 S   HC   HB12    12     1.09814   110.46868    66.11095
   13    10 S   CT   _CG1    13     1.53060   112.73423  -171.44565
   14    13 S   HC   HG11    14     1.09587   110.57320   -65.92276
   15    13 S   HC   HG12    15     1.09660   109.86246    53.32242
   16    13 S   C    _CD1    16     1.51860   112.12492   173.65273
   17    16 S   O    _OE1    17     1.22784   123.20216     4.59030
   18    16 S   N    _N2_    18     1.38558   111.89842  -175.41567
   19    18 S   H    _HN2    19     1.01584   119.20505     3.23531
   20    18 S   CT1  _CA2    20     1.45846   122.69593   177.02454
   21    20 S   HC   _HA2    21     1.09743   108.76360    26.74028
   22    20 S   C    _C2_    22     1.52936   106.93284   -90.15232
   23    22 S   O    _O2_    23     1.22977   123.05731   -28.91930
   24    20 S   CT   _CB2    32     1.53160   112.41343   149.90419
   25    24 S   HC   HB21    33     1.09589   110.28245    52.89996
   26    24 S   HC   HB22    34     1.09412   109.96372   171.86800
   27    22 S   N    _N3_    24     1.38510   112.54190   153.43206
   28    27 S   H    _HN3    25     1.01642   120.35477    -0.88581
   29    24 S   S    _SG2    35     1.82637   110.84641   -67.79611
   30    27 S   CT   _CA3    26     1.45349   122.50205   178.86134
   31    30 S   HC   HA31    27     1.09559   107.56398   -62.42971
   32    30 S   HC   HA32    28     1.09569   107.85963    53.90748
   33    29 S   CT   _C7_    36     1.84214    99.62056   175.39019
   34    33 S   HC   _H6_    37     1.09673   105.76416   -41.52798
   35    30 S   CO3  _C3_    29     1.52902   114.32723   175.95664
   36    35 S   O2Z  _O31    30     1.26340   116.07809     2.43984
   37    35 S   O2Z  _O32    31     1.26448   114.41465  -177.51943
   38    33 S   CT   _C6_    38     1.54729   112.44527    75.57548
   39    38 S   HC   _H5_    39     1.09559   110.16295   -41.34787
   40    38 S   CT   _C5_    40     1.53486   114.63056    81.61040
   41    40 S   HC   _H4_    41     1.09715   109.78472   168.66916
   42    38 S   OS   _O41    63     1.43127   107.74465  -159.01588
   43    40 S   CT   _C4_    42     1.53632   111.49151    48.95404
   44    43 S   HC   _H3_    43     1.09699   108.75165    65.83939
   45    40 S   OH   _O45    61     1.42571   110.52173   -74.40670
   46    45 S   HO   _H11    62     0.97201   107.72309   -54.80878
   47    42 S   P2   _P3_    64     1.62924   118.68518   108.49122
   48    47 S   O2Z  _O44    65     1.51174   108.69496    77.91626
   49    47 S   O2Z  _O42    66     1.51118   109.67965   -56.67231
   50    43 S   CT   _C9_    44     1.53601   112.96127   -54.73892
   51    50 S   HC   _H8_    45     1.09744   108.01087   176.30562
   52    43 S   OH   _O46    59     1.42799   110.45487  -177.88733
   53    52 S   HO   _H12    60     0.97154   107.57306   -50.50689
   54    47 S   OS   _O43    67     1.62966    98.12897  -169.27356
   55    54 S   HO   _H10    68     0.97998   115.89364    73.19637
   56    33 S   CT   _C8_    46     1.55072   110.99554  -156.73541
   57    56 S   HC   _H7_    47     1.09673   109.74830    42.15520
   58    50 S   OS   _O33    53     1.42511   109.60013   -65.41116
   59    56 S   OS   _O37    48     1.43473   107.62210   160.20680
   60    58 S   P2   _P1_    54     1.62789   119.59946  -133.76767
   61    60 S   O2Z  _O36    55     1.51068   109.60939   -66.26762
   62    60 S   O2Z  _O34    56     1.51153   109.70694    69.19963
   63    59 S   P3   _P2_    49     1.64764   119.89416  -104.49123
   64    63 S   O2Z  _O39    50     1.52557   103.47566   173.53082
   65    63 S   O2Z  _O40    51     1.52505   104.96489    53.79592
   66    63 S   O2Z  _O38    52     1.52459   104.38234   -66.91905
   67    60 S   OS   _O35    57     1.63140    98.14071  -178.07014
   68    67 S   HO   _H9_    58     0.97879   115.68646    78.12050
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  17   7  13   7   8  12   7   3   1   4   3
   2  12   6   3   1   1   1   8   3   6   4   4   3   2   3   2
   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    56    57    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    56    57    59    63    58    45    42    47  
   38    39    40    50    56    57    59    42  
   36    37  
   37  
    0  
   39    40    41    43    44    50    56    57    59    52    45    46    42    47    48    49    54  
   40    41    43    56    45    42    47  
   41    43    44    50    51    56    58    52    53    45    46    42    47  
   43    44    50    52    45    46    42  
   47    48    49    54    55    43    45    56  
   44    50    51    56    57    59    58    60    52    53    45    46  
   50    51    56    58    52    53    45  
   46    50    52  
    0  
   48    49    54    55  
   49    54    55  
   54    55  
   51    56    57    59    63    58    60    61    62    67    52    53  
   56    57    59    58    60    52  
   53    56    58  
    0  
   55  
    0  
   57    59    63    64    65    66    58    60  
   59    63    58  
   60    61    62    67    68    59  
   63    64    65    66  
   61    62    67    68  
   62    67    68  
   67    68  
   64    65    66  
   65    66  
   66  
    0  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   59   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   67   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    56   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    52   320.000  1.410
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    58   320.000  1.410
   56    57   340.000  1.090
   56    59   320.000  1.410
   59    63   230.000  1.630
   63    64   525.000  1.516
   63    65   525.000  1.516
   63    66   525.000  1.516
   58    60   230.000  1.697
   60    61   525.000  1.480
   60    62   525.000  1.480
   60    67   230.000  1.697
   67    68   553.000  0.945
   52    53   553.000  0.945
   45    46   553.000  0.945
   42    47   230.000  1.697
   47    48   525.000  1.480
   47    49   525.000  1.480
   47    54   230.000  1.697
   54    55   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    56    50    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    59    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    47   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    50    58.35000  112.70000
   40    43    52    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    56    58.35000  112.70000
   43    50    58    50.00000  109.50000
   43    52    53    55.00000  108.50000
   50    43    44    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    59    50.00000  109.50000
   50    58    60   100.00000  120.50000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    50    51    37.50000  110.70000
   56    59    63    80.00000  112.68000
   59    56    57    35.00000  109.50000
   59    63    64   100.00000  107.00000
   59    63    65   100.00000  107.00000
   59    63    66   100.00000  107.00000
   65    63    64   140.00000  114.00000
   66    63    64   140.00000  114.00000
   66    63    65   140.00000  114.00000
   58    50    51    35.00000  109.50000
   58    50    56    50.00000  109.50000
   58    60    61   100.00000  108.23000
   58    60    62   100.00000  108.23000
   58    60    67    45.00000  102.60000
   60    67    68    45.00000  108.50000
   62    60    61   140.00000  119.90000
   67    60    61   100.00000  108.23000
   67    60    62   100.00000  108.23000
   52    43    44    35.00000  109.50000
   52    43    50    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48   100.00000  108.23000
   42    47    49   100.00000  108.23000
   42    47    54    45.00000  102.60000
   47    54    55    45.00000  108.50000
   49    47    48   140.00000  119.90000
   54    47    48   100.00000  108.23000
   54    47    49   100.00000  108.23000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    56    50   0.44750  1.0 1.0
   29    33    56    50  -0.17800 -1.0 2.0
   29    33    56    50   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    59   0.56750  1.0 1.0
   29    33    56    59  -0.07550 -1.0 2.0
   29    33    56    59   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    56    59    63  -2.65550  1.0 1.0
   33    56    59    63  -0.22350 -1.0 2.0
   33    56    59    63   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    56    50   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    59   0.23400  1.0 3.0
   38    33    56    50   0.56750  1.0 1.0
   38    33    56    50  -0.07550 -1.0 2.0
   38    33    56    50   0.20000  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    59   0.62750  1.0 1.0
   38    33    56    59  -0.30950 -1.0 2.0
   38    33    56    59   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    50   0.56750  1.0 1.0
   38    40   -43    50  -0.07550 -1.0 2.0
   38    40   -43    50   0.20000  1.0 3.0
   38    40    43    52   0.86500  1.0 1.0
   38    40    43    52  -0.17500 -1.0 2.0
   38    40    43    52   0.20800  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    54   0.05050  1.0 1.0
   38    42    47    54  -1.30700 -1.0 2.0
   38    42    47    54   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43    50    51   0.15000  1.0 3.0
   40    43    50    56   0.56750  1.0 1.0
   40    43    50    56  -0.07550 -1.0 2.0
   40    43    50    56   0.20000  1.0 3.0
   40    43    50    58   0.62750  1.0 1.0
   40    43    50    58  -0.30950 -1.0 2.0
   40    43    50    58   0.27300  1.0 3.0
   40    43    52    53  -0.11600  1.0 1.0
   40    43    52    53  -0.09450 -1.0 2.0
   40    43    52    53   0.21250  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    50   0.15000  1.0 3.0
   41    40    43    52   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    50   -56    33   0.56750  1.0 1.0
   43    50   -56    33  -0.07550 -1.0 2.0
   43    50   -56    33   0.20000  1.0 3.0
   43    50    56    57   0.15000  1.0 3.0
   43    50    56    59   0.62750  1.0 1.0
   43    50    56    59  -0.30950 -1.0 2.0
   43    50    56    59   0.27300  1.0 3.0
   43    50    58    60  -2.65550  1.0 1.0
   43    50    58    60  -0.22350 -1.0 2.0
   43    50    58    60   0.24150  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    56   0.15000  1.0 3.0
   44    43    50    58   0.23400  1.0 3.0
   44    43    52    53   0.19450  1.0 3.0
   50    43    52    53  -0.11600  1.0 1.0
   50    43    52    53  -0.09450 -1.0 2.0
   50    43    52    53   0.21250  1.0 3.0
   50    56    59    63  -2.65550  1.0 1.0
   50    56    59    63  -0.22350 -1.0 2.0
   50    56    59    63   0.24150  1.0 3.0
   50    58    60    61   0.00000  1.0 1.0
   50    58    60    62   0.00000  1.0 1.0
   50    58    60    67   0.05050  1.0 1.0
   50    58    60    67  -1.30700 -1.0 2.0
   50    58    60    67   0.91550  1.0 3.0
   51    50    56    33   0.15000  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    59   0.23400  1.0 3.0
   51    50    58    60   0.03000  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40   0.56750  1.0 1.0
   56    33   -38    40  -0.07550 -1.0 2.0
   56    33   -38    40   0.20000  1.0 3.0
   56    33    38    42   0.62750  1.0 1.0
   56    33    38    42  -0.30950 -1.0 2.0
   56    33    38    42   0.27300  1.0 3.0
   56    50    58    60  -2.65550  1.0 1.0
   56    50    58    60  -0.22350 -1.0 2.0
   56    50    58    60   0.24150  1.0 3.0
   56    59    63    64   0.00000  1.0 1.0
   56    59    63    65   0.00000  1.0 1.0
   56    59    63    66   0.00000  1.0 1.0
   57    56    59    63   0.03000  1.0 3.0
   58    50    56    33   0.62750  1.0 1.0
   58    50    56    33  -0.30950 -1.0 2.0
   58    50    56    33   0.27300  1.0 3.0
   58    50    56    57   0.23400  1.0 3.0
   58    50    56    59   1.11900  1.0 1.0
   58    50    56    59  -1.16350 -1.0 2.0
   58    50    56    59  -0.34150  1.0 3.0
   58    60    67    68   0.00000  1.0 1.0
   61    60    67    68   0.00000  1.0 1.0
   62    60    67    68   0.00000  1.0 1.0
   52    43    50    51   0.23400  1.0 3.0
   52    43    50    56   0.86500  1.0 1.0
   52    43    50    56  -0.17500 -1.0 2.0
   52    43    50    56   0.20800  1.0 3.0
   52    43    50    58   3.69350  1.0 1.0
   52    43    50    58  -1.82950 -1.0 2.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    50   0.86500  1.0 1.0
   45    40    43    50  -0.17500 -1.0 2.0
   45    40    43    50   0.20800  1.0 3.0
   45    40    43    52   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
   42    47    54    55   0.00000  1.0 1.0
   48    47    54    55   0.00000  1.0 1.0
   49    47    54    55   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
