* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    130    195     370
    1     0 S   NP   _N1_     1    28.33716    97.91291   -20.37809
    2     1 S   H    _HN1     2     1.02776    93.44075  -120.02948
    3     1 S   H    _H1_     3     1.02957    70.69905   -11.77428
    4     1 S   H    _H2_     4     1.02835    46.11467   128.29880
    5     1 S   CT   _CA1     5     1.50113   151.32991    85.65630
    6     5 S   HC   _HA1     6     1.09563   105.25275    90.65680
    7     5 S   CO3  _C1_     7     1.53845   112.46285   -29.67591
    8     7 S   O2Z  _O11     8     1.26377   115.01405   -40.37910
    9     7 S   O2Z  _O12     9     1.26233   115.03530   139.00369
   10     5 S   CT   _CB1    10     1.53129   107.45034  -151.19371
   11    10 S   HC   HB11    11     1.09819   109.60984   -48.55983
   12    10 S   HC   HB12    12     1.09820   110.28822    68.11789
   13    10 S   CT   _CG1    13     1.52972   112.55870  -169.56057
   14    13 S   HC   HG11    14     1.09416   110.33467   -61.33446
   15    13 S   HC   HG12    15     1.09641   109.97732    57.78952
   16    13 S   C    _CD1    16     1.51749   112.47693   178.50328
   17    16 S   O    _OE1    17     1.22744   123.26644    -0.43386
   18    16 S   N    _N2_    18     1.38546   111.69890   179.37317
   19    18 S   H    _HN2    19     1.01669   119.09343     5.19331
   20    18 S   CT1  _CA2    20     1.45740   122.90040   178.63628
   21    20 S   HC   _HA2    21     1.09729   108.88470    23.31053
   22    20 S   C    _C2_    22     1.52928   107.02944   -93.63198
   23    22 S   O    _O2_    23     1.22974   123.07989   -26.32527
   24    20 S   CT   _CB2    32     1.53126   112.26350   146.33807
   25    24 S   HC   HB21    33     1.09517   110.64273    57.11818
   26    24 S   HC   HB22    34     1.09555   110.17584   174.73154
   27    22 S   N    _N3_    24     1.38503   112.55733   156.27545
   28    27 S   H    _HN3    25     1.01653   120.36295    -2.03759
   29    24 S   S    _SG2    35     1.82847   111.46851   -66.76018
   30    27 S   CT   _CA3    26     1.45356   122.47823   178.66940
   31    30 S   HC   HA31    27     1.09567   107.78832   -56.17471
   32    30 S   HC   HA32    28     1.09562   107.63176    60.15828
   33    29 S   CT   _C16    36     1.83374   100.24934   122.80281
   34    33 S   HC   _H3_    37     1.09520   108.21816    40.97170
   35    30 S   CO3  _C3_    29     1.52889   114.32502  -178.07949
   36    35 S   O2Z  _O31    30     1.26338   116.06039    -0.52190
   37    35 S   O2Z  _O32    31     1.26437   114.41324   179.45177
   38    33 S   CO4  _C15    38     1.51183   109.44222   -74.44194
   39    38 S   O    _O35    39     1.23126   122.14692    94.69817
   40    38 S   CM   _C14    40     1.47523   118.58616   -79.98061
   41    40 S   HC   _H9_    41     1.08224   115.92769   160.62633
   42    40 S   CM   _C13    42     1.34172   120.21817   -16.64541
   43    42 S   CT   _C11    43     1.53431   123.27768    -7.51207
   44    42 S   OS   _O38    68     1.38933   123.83887   174.39279
   45    43 S   CO4  _C12    44     1.53020   104.25293  -121.73972
   46    45 S   O    _O34    45     1.21834   126.79025    66.28639
   47    43 S   OS   _O33    55     1.45044   108.68877   126.21821
   48    33 S   CM   _C17    60     1.52626   110.27762   162.72199
   49    44 S   CT   _C20    69     1.42250   118.34157    -4.85010
   50    49 S   HC   _H13    70     1.09400   107.86976  -177.40656
   51    49 S   HC   _H14    71     1.09456   110.97875    64.66610
   52    49 S   HC   _H15    72     1.09464   110.88500   -59.48371
   53    45 S   CA   _C8_    46     1.45860   107.21266  -112.67115
   54    48 S   CMA  _C18    61     1.37429   119.60063  -101.48542
   55    54 S   OM   _O36    62     1.27066   125.30602    -1.76025
   56    53 S   CA   _C7_    47     1.40122   130.61770   179.29612
   57    56 S   OM   _O39    48     1.27638   125.21820    -0.46478
   58    54 S   OS   _O37    63     1.41340   112.58731   174.49576
   59    56 S   CA   _C6_    49     1.41719   112.31196   179.40258
   60    59 S   HA   _H7_    50     1.09284   118.23220  -179.51061
   61    58 S   CT   _C19    64     1.42770   114.26795   139.12593
   62    61 S   HC   _H10    65     1.09403   107.75679  -170.52215
   63    61 S   HC   _H11    66     1.09470   111.00385    71.53206
   64    61 S   HC   _H12    67     1.09536   111.11804   -52.29733
   65    59 S   CA   _C5_    51     1.41853   124.23435     0.47560
   66    65 S   CA   _C10    52     1.39466   119.62241    -1.12553
   67    66 S   HA   _H8_    53     1.08459   121.45810  -178.93210
   68    65 S   CT   _C4_    56     1.49993   119.91001  -178.48949
   69    68 S   HC   _H4_    57     1.09430   109.97961    84.53769
   70    68 S   HC   _H5_    58     1.09511   111.03089  -155.03303
   71    68 S   HC   _H6_    59     1.09503   110.79543   -36.01410
   72    53 S   CA   _C9_    54     1.39127   104.58536    -1.32027
  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   8   5   4   3
  13   6   2   1   1   8   4   8   3  13  13   7  10   5   8   6
   3   2   1   1   8   6   2   7   4   4   9   3   3   2   1   1
   7   6   2   4   2   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    47    48    54    55    58  
   38    39    40    43    48    54  
   36    37  
   37  
    0  
   39    40    41    42    43    48    54    44  
   40    41    42    48  
   41    42    43    45    47    48    44    49  
   42    43    44  
   43    45    46    53    72    47    48    54    44    49    50    51    52  
   45    46    53    56    66    72    47    48    54    55    58    44    49  
   49    50    51    52    45    47    48  
   46    53    56    57    59    66    72    47    48    54  
   53    56    72    47    48  
   48    54    53    56    65    66    67    72  
   54    55    58    61    53    72  
   50    51    52  
   51    52  
   52  
    0  
   56    57    59    60    65    66    67    72  
   55    58    61    62    63    64  
   58    61  
   57    59    60    65    66    72    68  
   59    60    65    72  
   61    62    63    64  
   60    65    66    67    72    68    69    70    71  
   65    66    68  
   62    63    64  
   63    64  
   64  
    0  
   66    67    72    68    69    70    71  
   67    72    68    69    70    71  
   72    68  
   69    70    71    72  
   70    71  
   71  
    0  
    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   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.386000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   58   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
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   317.000  1.522
   33    48   317.000  1.510
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   340.000  1.080
   40    42   549.000  1.340
   42    43   317.000  1.510
   42    44   440.000  1.360
   43    45   317.000  1.522
   43    47   320.000  1.410
   43    48   317.000  1.510
   45    46   570.000  1.229
   45    53   310.000  1.470
   53    56   469.000  1.400
   53    72   469.000  1.400
   56    57   450.000  1.364
   56    59   469.000  1.400
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    66   469.000  1.400
   65    68   317.000  1.510
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    47   450.000  1.364
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   48    54   465.000  1.376
   54    55   745.000  1.250
   54    58   440.000  1.360
   58    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   44    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
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  110.18000
   29    33    48    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    48    43    65.00000  117.92700
   33    48    54    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    40    41    40.00000  117.72500
   38    40    42    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    42    43    70.00000  124.00000
   40    42    44    80.00000  120.01400
   42    40    41    35.00000  120.00000
   42    43    45    70.00000  109.06800
   42    43    47    85.00000  110.90400
   42    43    48    70.00000  110.12100
   42    44    49    90.00000  111.18400
   43    45    46    80.00000  120.40000
   43    45    53    65.00000  115.47100
   43    47    72    75.00000  111.00000
   43    48    54    70.00000  124.00000
   45    53    56    60.00000  119.52600
   45    53    72    60.00000  119.52600
   53    45    46    75.00000  123.78400
   53    56    57    70.00000  120.00000
   53    56    59    63.00000  120.00000
   53    72    66    63.00000  120.00000
   53    72    47    70.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    65    63.00000  120.00000
   59    56    57    70.00000  120.00000
   59    65    66    63.00000  120.00000
   59    65    68    70.00000  120.00000
   65    59    60    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    72    63.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   66    72    47    70.00000  120.00000
   72    53    56    63.00000  120.00000
   72    66    67    35.00000  120.00000
   47    43    45    90.00000  108.74100
   68    65    66    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   48    33    34    35.00000  109.50000
   48    33    38    70.00000  109.06800
   48    43    45    70.00000  109.06800
   48    43    47    85.00000  110.90400
   48    54    55    65.00000  137.10300
   48    54    58    80.00000  120.01400
   54    58    61    90.00000  111.18400
   58    54    55    65.00000  121.00000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   44    42    43    85.00000  112.85300
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
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    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   0.81900  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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.30250  1.0 1.0
   29    33    48    43  -0.14950 -1.0 2.0
   29    33    48    43   0.36900  1.0 3.0
   29    33    48    54   0.42700  1.0 1.0
   29    33    48    54  -0.70350 -1.0 2.0
   29    33    48    54  -0.43150  1.0 3.0
   33    38    40    41   0.04550  1.0 1.0
   33    38    40    41   0.83000 -1.0 2.0
   33    38    40    41  -0.04000  1.0 3.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   33    48    54    55   7.00000 -1.0 2.0
   33    48    54    58   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43   0.34800  1.0 3.0
   34    33    48    54   0.00000  1.0 1.0
   38    33    48    43   0.17250  1.0 1.0
   38    33    48    43  -0.04100 -1.0 2.0
   38    33    48    43  -0.33850  1.0 3.0
   38    33    48    54  -0.51250  1.0 1.0
   38    33    48    54  -0.88800 -1.0 2.0
   38    33    48    54   0.08850  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    44   7.00000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   1.00000 -1.0 2.0
   40    42    43    45  -0.51250  1.0 1.0
   40    42    43    45  -0.88800 -1.0 2.0
   40    42    43    45   0.08850  1.0 3.0
   40    42    43    47   0.39000  1.0 1.0
   40    42    43    47  -0.05800 -1.0 2.0
   40    42    43    47  -0.55150  1.0 3.0
   40    42    43    48  -0.28300  1.0 1.0
   40    42    43    48   0.26700 -1.0 2.0
   40    42    43    48  -0.63300  1.0 3.0
   40    42    44    49  -2.26850  1.0 1.0
   40    42    44    49   3.39050 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    43    45    46   0.30150 -1.0 2.0
   42    43    45    53   0.65300  1.0 1.0
   42    43    45    53  -0.03850 -1.0 2.0
   42    43    45    53   0.33900  1.0 3.0
   42    43    47    72  -0.25600  1.0 1.0
   42    43    47    72  -0.40050 -1.0 2.0
   42    43    47    72   0.34700  1.0 3.0
   42    43   -48    33   0.09700  1.0 1.0
   42    43   -48    33   0.15600 -1.0 2.0
   42    43   -48    33  -0.50800  1.0 3.0
   42    43    48    54  -0.28300  1.0 1.0
   42    43    48    54   0.26700 -1.0 2.0
   42    43    48    54  -0.63300  1.0 3.0
   42    44    49    50   0.08050  1.0 3.0
   42    44    49    51   0.08050  1.0 3.0
   42    44    49    52   0.08050  1.0 3.0
   43    42    44    49   2.00000 -1.0 2.0
   43    45    53    56   2.26350  1.0 1.0
   43    45    53    56   0.76750 -1.0 2.0
   43    45    53    56   0.22500  1.0 3.0
   43    45   -53    72   2.26350  1.0 1.0
   43    45   -53    72   0.76750 -1.0 2.0
   43    45   -53    72   0.22500  1.0 3.0
   43    48    54    55   7.00000 -1.0 2.0
   43    48    54    58   7.00000 -1.0 2.0
   45    43   -47    72  -0.25600  1.0 1.0
   45    43   -47    72  -0.40050 -1.0 2.0
   45    43   -47    72   0.34700  1.0 3.0
   45    43    48    33   0.17250  1.0 1.0
   45    43    48    33  -0.04100 -1.0 2.0
   45    43    48    33  -0.33850  1.0 3.0
   45    43    48    54  -0.51250  1.0 1.0
   45    43    48    54  -0.88800 -1.0 2.0
   45    43    48    54   0.08850  1.0 3.0
   45    53    56    57   3.62500 -1.0 2.0
   45    53    56    59   3.62500 -1.0 2.0
   45    53    72    66   3.62500 -1.0 2.0
   45    53   -72    47   3.62500 -1.0 2.0
   46    45    53    56   1.05000 -1.0 2.0
   46    45    53    72   1.05000 -1.0 2.0
   53    56    59    60   3.62500 -1.0 2.0
   53    56    59    65   3.62500 -1.0 2.0
   53    72   -47    43   1.63200 -1.0 2.0
   56    53    72    66   3.62500 -1.0 2.0
   56    53    72    47   3.62500 -1.0 2.0
   56    59   -65    66   3.62500 -1.0 2.0
   56    59    65    68   3.62500 -1.0 2.0
   57    56    59    60   3.62500 -1.0 2.0
   57    56    59    65   3.62500 -1.0 2.0
   59    65    66    67   3.62500 -1.0 2.0
   59    65    66    72   3.62500 -1.0 2.0
   59    65    68    69   0.00000  1.0 1.0
   59    65    68    70   0.00000  1.0 1.0
   59    65    68    71   0.00000  1.0 1.0
   60    59    65    66   3.62500 -1.0 2.0
   60    59    65    68   3.62500 -1.0 2.0
   65    66   -72    53   3.62500 -1.0 2.0
   65    66    72    47   3.62500 -1.0 2.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   66    65    68    71   0.00000  1.0 1.0
   66    72    47    43   1.63200 -1.0 2.0
   67    66    72    53   3.62500 -1.0 2.0
   67    66    72    47   3.62500 -1.0 2.0
   72    53    56    57   3.62500 -1.0 2.0
   72    53   -56    59   3.62500 -1.0 2.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43   -45    53   0.65300  1.0 1.0
   47    43   -45    53  -0.03850 -1.0 2.0
   47    43   -45    53   0.33900  1.0 3.0
   47    43    48    33   0.09700  1.0 1.0
   47    43    48    33   0.15600 -1.0 2.0
   47    43    48    33  -0.50800  1.0 3.0
   47    43    48    54   0.39000  1.0 1.0
   47    43    48    54  -0.05800 -1.0 2.0
   47    43    48    54  -0.55150  1.0 3.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    72   3.62500 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  1.0 3.0
   48    43    45    46   0.30150 -1.0 2.0
   48    43    45    53   0.65300  1.0 1.0
   48    43    45    53  -0.03850 -1.0 2.0
   48    43    45    53   0.33900  1.0 3.0
   48    43    47    72  -0.25600  1.0 1.0
   48    43    47    72  -0.40050 -1.0 2.0
   48    43    47    72   0.34700  1.0 3.0
   48    54    58    61  -2.26850  1.0 1.0
   48    54    58    61   3.39050 -1.0 2.0
   54    58    61    62   0.08050  1.0 3.0
   54    58    61    63   0.08050  1.0 3.0
   54    58    61    64   0.08050  1.0 3.0
   55    54    58    61   2.00000 -1.0 2.0
   44    42    43    45   0.09700  1.0 1.0
   44    42    43    45   0.15600 -1.0 2.0
   44    42    43    45  -0.50800  1.0 3.0
   44    42    43    47   0.09700  1.0 1.0
   44    42    43    47   0.15600 -1.0 2.0
   44    42    43    47  -0.50800  1.0 3.0
   44    42    43    48   0.09700  1.0 1.0
   44    42    43    48   0.15600 -1.0 2.0
   44    42    43    48  -0.50800  1.0 3.0
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
   33    40    38    39  10.50000 -1.0 2.0
   38    41    40    42   1.10000 -1.0 2.0
   43    44    42    40   1.10000 -1.0 2.0
   43    53    45    46  10.50000 -1.0 2.0
   56    72    53    45   4.00000 -1.0 2.0
   59    57    56    53   4.00000 -1.0 2.0
   65    60    59    56   1.10000 -1.0 2.0
   66    68    65    59   4.00000 -1.0 2.0
   72    67    66    65   1.10000 -1.0 2.0
   66    47    72    53   4.00000 -1.0 2.0
   33    43    48    54   1.10000 -1.0 2.0
   55    58    54    48   1.10000 -1.0 2.0
END
