* LIGAND DATABASE FILE (OPLS2005)
*
001      65    67    119    195     353
    1     0 S   NP   _N1_     1    30.75374    99.61948   -23.58619
    2     1 S   H    _HN1     2     1.03482   156.11311  -116.21587
    3     1 S   H    _H1_     3     1.02739    55.06046   -67.17064
    4     1 S   H    _H2_     4     1.02877    67.90950   159.96258
    5     1 S   CT   _CA1     5     1.50588    91.10110    48.70702
    6     5 S   HC   _HA1     6     1.09623   104.25344   129.14162
    7     5 S   CO3  _C1_     7     1.54413   111.71431    13.18695
    8     7 S   O2Z  _O11     8     1.26081   116.62987  -135.31277
    9     7 S   O2Z  _O12     9     1.26628   114.02289    43.96029
   10     5 S   CT   _CB1    10     1.53193   106.82718  -114.54255
   11    10 S   HC   HB11    11     1.09551   109.69178   -37.51764
   12    10 S   HC   HB12    12     1.09804   109.97426    77.92871
   13    10 S   CT   _CG1    13     1.53226   112.95472  -160.35443
   14    13 S   HC   HG11    14     1.09571   110.72057  -100.79361
   15    13 S   HC   HG12    15     1.09480   111.85352    18.30171
   16    13 S   C    _CD1    16     1.51465   110.23291   139.29667
   17    16 S   O    _OE1    17     1.22824   121.75575    93.19560
   18    16 S   N    _N2_    18     1.38648   112.78633   -84.75706
   19    18 S   H    _HN2    19     1.01656   119.18292    -1.87012
   20    18 S   CT1  _CA2    20     1.46299   123.14537   176.69702
   21    20 S   HC   _HA2    21     1.09700   109.13835    -6.66238
   22    20 S   C    _C2_    22     1.53730   109.63333  -122.81689
   23    22 S   O    _O2_    23     1.23102   121.84505  -159.58937
   24    20 S   CT   _CB2    32     1.53573   111.82258   115.31657
   25    24 S   HC   HB21    33     1.09359   109.09960    63.76319
   26    24 S   HC   HB22    34     1.09528   109.99817  -178.74602
   27    22 S   N    _N3_    24     1.38192   114.27264    26.55564
   28    27 S   H    _HN3    25     1.01436   119.13900    -1.88865
   29    24 S   S    _SG2    35     1.83202   111.81562   -59.32934
   30    27 S   CT   _CA3    26     1.45330   123.37006   178.55085
   31    30 S   HC   HA31    27     1.09554   107.15344   -70.87224
   32    30 S   HC   HA32    28     1.09552   108.32576    45.51618
   33    29 S   CT   _C9_    36     1.88962   102.16723   150.15249
   34    30 S   CO3  _C3_    29     1.53004   114.26114   167.48691
   35    34 S   O2Z  _O31    30     1.26433   116.21759   -11.31430
   36    34 S   O2Z  _O32    31     1.26404   114.49574   168.82324
   37    33 S   C5A  _C6_    37     1.50911   109.20336   -56.63052
   38    33 S   CT   _C10    58     1.54721   106.93553  -176.57560
   39    38 S   HC   _H3_    59     1.10158   109.40974    50.38932
   40    37 S   C5BC _C5_    38     1.38103   126.59999   139.46192
   41    38 S   CO3  _C17    60     1.54958   114.83699   167.40778
   42    41 S   O2Z  _O40    61     1.26123   116.59592    81.86152
   43    41 S   O2Z  _O39    62     1.26530   114.44446   -98.40438
   44    40 S   C5BC _C4_    39     1.41561   107.74737  -178.80417
   45    44 S   HA   _H5_    40     1.08195   126.94453   178.88302
   46    40 S   CO4  _C15    47     1.44206   121.12052     0.76105
   47    46 S   O    _O36    48     1.22336   123.70587   178.28788
   48    44 S   C5A  _C7_    41     1.38014   107.02084    -0.08847
   49    46 S   CO4  _C14    49     1.52012   117.78367    -2.02951
   50    49 S   O    _O35    50     1.22379   117.93721   165.76346
   51    37 S   NA   _N4_    42     1.37246   125.82253   -41.91513
   52    51 S   H    _H6_    43     1.01146   125.47274     0.60198
   53    48 S   CO3  _C8_    44     1.48052   127.02564   177.75694
   54    53 S   O2Z  _O34    45     1.26832   116.07261  -176.28601
   55    53 S   O2Z  _O33    46     1.26801   117.03934     3.13225
   56    33 S   CT1  _C13    51     1.55432   108.84408    62.85706
   57    56 S   HC   _H4_    52     1.09770   109.54135   -44.18440
   58    56 S   NI   _N5_    53     1.46389   114.85898    75.52280
   59    58 S   CD   _C12    54     1.28487   122.08883    18.01733
   60    59 S   CT   _C11    55     1.50893   126.04424    -1.90855
   61    60 S   HC   _H7_    56     1.09667   108.87345   135.83050
   62    60 S   HC   _H8_    57     1.09733   106.70856  -110.04728
   63    59 S   CO3  _C16    63     1.51553   115.11564  -179.53186
   64    63 S   O2Z  _O38    64     1.26699   115.46136   174.21216
   65    63 S   O2Z  _O37    65     1.26748   116.73864    -5.35160
  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  12   5   4   3
  21   2   1   1  17  15   8  11   7   2   1  10   4   8   3   5
   5   3   5   1   2   1   1   5   2   7   6   5   2   1   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    51    49    56    57    58    60    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    44    48    51    52    46    49    50    56    57    58    59    60    61    62    38    39    41    42    43  
   35    36  
   36  
    0  
   40    44    45    48    51    52    53    46    47    49    56    57    58    60    38    39    41  
   39    41    42    43    63    40    49    51    56    57    58    59    60    61    62  
   41    42    43    56    59    60    61    62  
   44    45    48    51    52    53    46    47    49    50    56  
   42    43    56    59    60    61    62  
   43    60  
   60  
   45    48    51    52    53    54    55    46    47    49  
   48    51    53    46  
   47    49    50    56    57    58    48    51  
   49    50    56  
   51    52    53    54    55  
   50    56    57    58    59  
   56    57    58  
   52    53    54    55    56  
   53  
   54    55  
   55  
    0  
   57    58    59    60    63  
   58    59  
   59    60    61    62    63    64    65  
   60    61    62    63    64    65  
   61    62    63    64    65  
   62    63  
   63  
   64    65  
   65  
    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   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.163000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0700  -0.146000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.149000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.118000   1.3810   1.2100   0.030040813   0.268726247
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   52   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   59   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   295.000  1.489
   33    56   268.000  1.529
   33    38   268.000  1.529
   37    40   546.000  1.367
   37    51   427.000  1.381
   40    44   469.000  1.424
   40    46   320.000  1.468
   44    45   367.000  1.080
   44    48   546.000  1.367
   48    51   427.000  1.381
   48    53   325.000  1.466
   51    52   434.000  1.010
   53    54   656.000  1.250
   53    55   656.000  1.250
   46    47   570.000  1.229
   46    49   250.000  1.523
   49    50   570.000  1.229
   49    56   255.000  1.522
   56    57   340.000  1.090
   56    58   315.000  1.431
   58    59   500.000  1.261
   59    60   270.000  1.508
   59    63   270.000  1.486
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    38   268.000  1.529
   38    39   340.000  1.090
   38    41   317.000  1.522
   41    42   656.000  1.250
   41    43   656.000  1.250
   63    64   656.000  1.250
   63    65   656.000  1.250
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    56    75.00000  108.68000
   29    33    38    75.00000  111.63000
   33    37    40    50.00000  133.50000
   33    37    51    65.00000  122.56900
   33    56    49    70.00000  110.61500
   33    56    57    37.50000  110.70000
   33    56    58    80.00000  110.18800
   33    38    60    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    41    70.00000  109.69300
   37    40    44    70.00000  107.30000
   37    40    46    60.00000  121.69000
   37    51    48    70.00000  109.80000
   37    51    52    35.00000  120.00000
   40    44    45    35.00000  127.50000
   40    44    48    70.00000  107.30000
   40    46    47    80.00000  122.10000
   40    46    49    60.00000  117.28700
   44    48    51    70.00000  107.70000
   44    48    53    55.00000  130.80000
   48    44    45    35.00000  125.70000
   48    51    52    35.00000  120.00000
   48    53    54    80.00000  120.87000
   48    53    55    80.00000  120.87000
   51    37    40    70.00000  107.70000
   53    48    51    70.00000  119.02500
   55    53    54    80.00000  126.00000
   46    40    44    50.00000  131.05000
   46    49    50    80.00000  119.30300
   46    49    56    65.00000  115.45000
   49    46    47    80.00000  119.30300
   49    56    57    45.00000  110.09800
   49    56    58    80.00000  108.92000
   56    33    37    70.00000  113.44400
   56    49    50    75.00000  123.42600
   56    58    59    75.00000  114.96100
   58    56    57    45.00000  110.38000
   58    59    60    65.00000  122.10100
   58    59    63    65.00000  123.79500
   59    60    61    45.00000  109.49600
   59    60    62    45.00000  109.49600
   59    60    38    70.00000  111.76100
   59    63    64    85.00000  113.83300
   59    63    65    85.00000  113.83300
   60    38    39    37.50000  110.70000
   60    38    41    70.00000  109.69300
   62    60    61    33.00000  107.80000
   38    33    37    70.00000  113.44400
   38    33    56    58.35000  112.70000
   38    60    61    37.50000  110.70000
   38    60    62    37.50000  110.70000
   38    41    42    70.00000  117.00000
   38    41    43    70.00000  117.00000
   41    38    39    35.00000  109.50000
   43    41    42    80.00000  126.00000
   63    59    60    60.00000  116.68000
   65    63    64    80.00000  126.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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
   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    51   0.04300 -1.0 2.0
   29    33    56    49  -2.17200  1.0 1.0
   29    33    56    49  -0.85700 -1.0 2.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    58   0.56750  1.0 1.0
   29    33    56    58  -0.07550 -1.0 2.0
   29    33    56    58   0.20000  1.0 3.0
   29    33    38    60   0.44750  1.0 1.0
   29    33    38    60  -0.17800 -1.0 2.0
   29    33    38    60   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   33    37    40    44   3.62500 -1.0 2.0
   33    37    40    46   3.62500 -1.0 2.0
   33    37    51    48   3.62500 -1.0 2.0
   33    37    51    52   2.00000 -1.0 2.0
   33    56    58    59  -0.12500  1.0 1.0
   33    56    58    59  -0.12500 -1.0 2.0
   33    56    58    59   0.25000  1.0 3.0
   33    38    41    42   0.41150 -1.0 2.0
   33    38    41    43   0.41150 -1.0 2.0
   37    33    56    49  -0.84850  1.0 1.0
   37    33    56    49  -0.22800 -1.0 2.0
   37    33    56    49   0.29250  1.0 3.0
   37    33    56    57   0.23100  1.0 3.0
   37    33    56    58   0.56750  1.0 1.0
   37    33    56    58  -0.07550 -1.0 2.0
   37    33    56    58   0.20000  1.0 3.0
   37    33    38    60  -0.03700  1.0 1.0
   37    33    38    60   0.37200 -1.0 2.0
   37    33    38    60  -0.47300  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    41  -2.95950  1.0 1.0
   37    33    38    41   0.02300  1.0 3.0
   37    40    44    45   3.62500 -1.0 2.0
   37    40   -44    48   3.62500 -1.0 2.0
   37    40    46    47   1.05000 -1.0 2.0
   37    40   -46    49   0.56600 -1.0 2.0
   40    37   -51    48   3.62500 -1.0 2.0
   40    37    51    52   2.00000 -1.0 2.0
   40    44   -48    51   3.62500 -1.0 2.0
   40    44    48    53   3.62500 -1.0 2.0
   40    46    49    50   0.03000  1.0 1.0
   40    46    49    50   0.58800 -1.0 2.0
   40    46    49    50   0.15550  1.0 3.0
   40    46    49    56   0.43900  1.0 1.0
   40    46    49    56  -0.18150 -1.0 2.0
   40    46    49    56  -0.03650  1.0 3.0
   44    40    46    47   1.05000 -1.0 2.0
   44    40    46    49   0.56600 -1.0 2.0
   44    48   -51    37   3.62500 -1.0 2.0
   44    48    51    52   2.00000 -1.0 2.0
   44    48    53    54   1.05000 -1.0 2.0
   44    48    53    55   1.05000 -1.0 2.0
   45    44    48    51   3.62500 -1.0 2.0
   45    44    48    53   3.62500 -1.0 2.0
   51    37   -40    44   3.62500 -1.0 2.0
   51    37    40    46   3.62500 -1.0 2.0
   51    48    53    54   1.85000 -1.0 2.0
   51    48    53    55   1.85000 -1.0 2.0
   53    48    51    37   3.62500 -1.0 2.0
   53    48    51    52   2.00000 -1.0 2.0
   46    40    44    45   3.62500 -1.0 2.0
   46    40    44    48   3.62500 -1.0 2.0
   46    49   -56    33   0.65300  1.0 1.0
   46    49   -56    33  -0.03850 -1.0 2.0
   46    49   -56    33   0.33900  1.0 3.0
   46    49    56    57   0.00000  1.0 1.0
   46    49    56    58   0.65300  1.0 1.0
   46    49    56    58  -0.03850 -1.0 2.0
   46    49    56    58   0.33900  1.0 3.0
   47    46    49    50   0.06100 -1.0 2.0
   47    46    49    56   0.49600 -1.0 2.0
   49    56    58    59  -0.12500  1.0 1.0
   49    56    58    59  -0.12500 -1.0 2.0
   49    56    58    59   0.25000  1.0 3.0
   50    49    56    33   0.00000  1.0 1.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    58   0.30150 -1.0 2.0
   56    33   -37    40   0.00000  1.0 1.0
   56    33    37    51   0.39850  1.0 1.0
   56    33    37    51   0.06450 -1.0 2.0
   56    33    37    51   0.32400  1.0 3.0
   56    33    38    60   0.56750  1.0 1.0
   56    33    38    60  -0.07550 -1.0 2.0
   56    33    38    60   0.20000  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    41  -0.84850  1.0 1.0
   56    33    38    41  -0.22800 -1.0 2.0
   56    33    38    41   0.29250  1.0 3.0
   56    58   -59    60   6.00000 -1.0 2.0
   56    58    59    63   6.00000 -1.0 2.0
   57    56    58    59  -0.15000  1.0 3.0
   58    59    60    61   0.00000  1.0 1.0
   58    59    60    62   0.00000  1.0 1.0
   58    59    60    38   0.00000  1.0 1.0
   58    59    63    64   1.00000 -1.0 2.0
   58    59    63    65   1.00000 -1.0 2.0
   59    60   -38    33   0.34400  1.0 1.0
   59    60   -38    33   0.09450 -1.0 2.0
   59    60   -38    33   0.11100  1.0 3.0
   59    60    38    39   0.15000  1.0 3.0
   59    60    38    41  -0.98800  1.0 1.0
   59    60    38    41   0.48800 -1.0 2.0
   59    60    38    41   0.76800  1.0 3.0
   60    59    63    64   1.00000 -1.0 2.0
   60    59    63    65   1.00000 -1.0 2.0
   60    38    41    42   0.41150 -1.0 2.0
   60    38    41    43   0.41150 -1.0 2.0
   61    60    38    33   0.15000  1.0 3.0
   61    60    38    39   0.15000  1.0 3.0
   61    60    38    41  -0.11250  1.0 3.0
   62    60    38    33   0.15000  1.0 3.0
   62    60    38    39   0.15000  1.0 3.0
   62    60    38    41  -0.11250  1.0 3.0
   38    33    37    40   0.04150 -1.0 2.0
   38    33    37    51   0.39850  1.0 1.0
   38    33    37    51   0.06450 -1.0 2.0
   38    33    37    51   0.32400  1.0 3.0
   38    33    56    49  -0.84850  1.0 1.0
   38    33    56    49  -0.22800 -1.0 2.0
   38    33    56    49   0.29250  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33   -56    58   0.56750  1.0 1.0
   38    33   -56    58  -0.07550 -1.0 2.0
   38    33   -56    58   0.20000  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   63    59    60    61   0.00000  1.0 1.0
   63    59    60    62   0.00000  1.0 1.0
   63    59    60    38   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
   35    30    34    36  10.50000 -1.0 2.0
   40    51    37    33   4.00000 -1.0 2.0
   44    46    40    37   4.00000 -1.0 2.0
   48    45    44    40   1.10000 -1.0 2.0
   53    51    48    44   4.00000 -1.0 2.0
   52    37    51    48   1.00000 -1.0 2.0
   54    48    53    55  10.50000 -1.0 2.0
   40    49    46    47  10.50000 -1.0 2.0
   46    56    49    50  10.50000 -1.0 2.0
   63    60    59    58  10.50000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
   64    59    63    65  10.50000 -1.0 2.0
END
