* LIGAND DATABASE FILE (OPLS2005)
*
001      66    66    115    176     338
    1     0 S   NP   _N1_     1    28.33263    93.85890   -23.45245
    2     1 S   H    _HN1     2     1.02832    19.73639   152.81783
    3     1 S   H    _H1_     3     1.02777   105.04661  -106.06465
    4     1 S   H    _H2_     4     1.02958    90.10168     2.95618
    5     1 S   CT   _CA1     5     1.50142   127.77395   119.20216
    6     5 S   HC   _HA1     6     1.09577   105.20649    70.77733
    7     5 S   CO3  _C1_     7     1.53771   112.27105   -49.37405
    8     7 S   O2Z  _O11     8     1.26363   115.00024   -45.75659
    9     7 S   O2Z  _O12     9     1.26229   114.91756   133.19462
   10     5 S   CT   _CB1    10     1.53075   107.38460  -171.39015
   11    10 S   HC   HB11    11     1.09830   109.27572   -50.66854
   12    10 S   HC   HB12    12     1.09819   110.46320    65.85164
   13    10 S   CT   _CG1    13     1.53032   112.71602  -171.74227
   14    13 S   HC   HG11    14     1.09593   110.49705   -64.81393
   15    13 S   HC   HG12    15     1.09652   109.95400    54.43913
   16    13 S   C    _CD1    16     1.51812   112.16950   174.73422
   17    16 S   O    _OE1    17     1.22786   123.25834     0.25411
   18    16 S   N    _N2_    18     1.38571   111.85126  -179.56121
   19    18 S   H    _HN2    19     1.01578   119.29352     3.87828
   20    18 S   CT1  _CA2    20     1.45660   122.54911   178.74041
   21    20 S   HC   _HA2    21     1.09684   108.53035    27.20433
   22    20 S   C    _C2_    22     1.52930   107.60306   -89.31407
   23    22 S   O    _O2_    23     1.22935   123.22911   -25.46971
   24    20 S   CT   _CB2    32     1.53218   112.60002   150.05568
   25    24 S   HC   HB21    33     1.09554   110.43355    54.00992
   26    24 S   HC   HB22    34     1.09369   109.39460   172.48234
   27    22 S   N    _N3_    24     1.38576   112.32531   156.87284
   28    27 S   H    _HN3    25     1.01623   120.31624    -1.44347
   29    24 S   S    _SG2    35     1.82839   110.83966   -66.23567
   30    27 S   CT   _CA3    26     1.45310   122.60127   178.68329
   31    30 S   HC   HA31    27     1.09561   107.79411   -56.41176
   32    30 S   HC   HA32    28     1.09557   107.65381    59.96607
   33    29 S   CT   _C14    36     1.87642   101.52530  -154.54644
   34    33 S   Cl   Cl1_    37     1.82381   106.52595   180.00000
   35    30 S   CO3  _C3_    29     1.52895   114.20884  -178.27218
   36    35 S   O2Z  _O31    30     1.26344   116.05044    -0.17583
   37    35 S   O2Z  _O32    31     1.26412   114.44173   179.83687
   38    33 S   CM   _C13    38     1.53345   109.01620    64.57650
   39    38 S   HC   _H10    39     1.09180   113.45376  -130.25861
   40    33 S   CT   _C15    61     1.58281   110.16571   -57.91441
   41    40 S   OM   _O36    62     1.33164   111.15785  -169.59287
   42    40 S   HC   _H4_    63     1.10197   104.95293    63.01321
   43    38 S   CM   _C12    40     1.34344   132.86292    46.94751
   44    43 S   HC   _H9_    41     1.08683   117.96588  -175.70614
   45    40 S   CO3  _C16    64     1.56484   116.33741   -50.62124
   46    45 S   O2Z  _O35    65     1.26402   117.37326   -37.92541
   47    45 S   O2Z  _O34    66     1.27004   114.30992   140.50525
   48    43 S   CO4  _C11    42     1.49411   126.98873     2.85533
   49    48 S   O    _O33    43     1.22721   120.41251    52.67292
   50    48 S   CT   _C10    44     1.54042   116.39064  -128.90883
   51    50 S   HC   _H3_    45     1.10160   103.62091    50.98300
   52    50 S   CA   _C9_    46     1.52857   110.86475   -63.46158
   53    50 S   CT   _C17    57     1.55973   114.35774   165.96288
   54    53 S   Cl   Cl2_    58     1.79544   113.87025    65.28062
   55    53 S   Cl   Cl3_    59     1.80335   111.18840   -56.63161
   56    53 S   Cl   Cl4_    60     1.80923   110.67006  -173.79850
   57    52 S   CA   _C4_    47     1.40491   119.54911   129.59579
   58    57 S   HA   _H5_    48     1.08789   120.44214     0.24549
   59    57 S   CA   _C5_    49     1.39603   120.92675  -179.68102
   60    59 S   HA   _H6_    50     1.08684   119.29304   179.88131
   61    59 S   CA   _C6_    51     1.39232   119.68123     0.03956
   62    61 S   Cl   Cl5_    52     1.72155   119.82808  -180.00000
   63    61 S   CA   _C7_    53     1.39302   120.37198     0.16669
   64    63 S   HA   _H7_    54     1.08679   120.85768   179.70993
   65    52 S   CA   _C8_    55     1.40396   122.00747   -49.73598
   66    65 S   HA   _H8_    56     1.08730   120.78679     0.32021
  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   9   5   4   3
  12   7   2   1   1  10   4   6   4   3   7   3   2   1   1  10
   4  12   7  13   5   2   1   1   8   4   6   3   5   3   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    48    40    41    42    45    46    47  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    48    49    50    40    41    42    45  
   43    44    48    40  
   41    42    45    46    47    43  
   42    45    46    47  
   45    46    47  
   44    48    49    50    51    52    53  
   48    49    50  
   46    47  
   47  
    0  
   49    50    51    52    57    65    53    54    55    56  
   50    51    52    53  
   51    52    57    58    59    63    65    66    53    54    55    56  
   52    57    65    53    54    55    56  
   57    58    59    60    61    63    64    65    66    53    54    55    56  
   54    55    56    57    65  
   55    56  
   56  
    0  
   58    59    60    61    62    63    65    66  
   59    60    61    65  
   60    61    62    63    64    65  
   61    62    63  
   62    63    64    65    66  
   63    64    65  
   64    65    66  
   65    66  
   66  
    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  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660   0.313400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.294400   1.9750   1.7500   0.005000000  -0.741685710
   54   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   55   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   56   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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   245.000  1.781
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    48   320.000  1.462
   48    49   570.000  1.229
   48    50   317.000  1.522
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    57   469.000  1.400
   52    65   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   300.000  1.725
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   53    54   245.000  1.781
   53    55   245.000  1.781
   53    56   245.000  1.781
   40    41   570.000  1.307
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   656.000  1.250
   45    47   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    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    85.00000  110.65400
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    40    45    70.00000  109.69300
   38    33    34    75.00000  111.90500
   38    43    44    35.00000  120.00000
   38    43    48    65.00000  118.96000
   43    38    39    35.00000  120.00000
   43    48    49    80.00000  123.72100
   43    48    50    65.00000  118.62400
   48    43    44    40.00000  117.72500
   48    50    51    35.00000  109.50000
   48    50    52    70.00000  110.93000
   48    50    53    63.00000  111.10000
   50    48    49    80.00000  120.40000
   50    52    57    70.00000  120.00000
   50    52    65    70.00000  120.00000
   50    53    54    69.00000  109.80000
   50    53    55    69.00000  109.80000
   50    53    56    69.00000  109.80000
   52    50    51    35.00000  109.50000
   52    57    58    35.00000  120.00000
   52    57    59    63.00000  120.00000
   52    65    63    63.00000  120.00000
   52    65    66    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    75.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    75.00000  120.00000
   63    65    66    35.00000  120.00000
   65    52    57    63.00000  120.00000
   65    63    64    35.00000  120.00000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.17500
   55    53    54    80.00000  110.42200
   56    53    54    80.00000  110.42200
   56    53    55    80.00000  110.42200
   40    33    34    69.00000  109.80000
   40    33    38    70.00000  112.02700
   40    45    46    70.00000  117.00000
   40    45    47    70.00000  117.00000
   42    40    41    45.00000  125.66300
   45    40    41    85.00000  109.63000
   45    40    42    35.00000  109.50000
   47    45    46    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    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    40    45    46   0.41150 -1.0 2.0
   33    40    45    47   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.09700  1.0 1.0
   34    33    38    43   0.15600 -1.0 2.0
   34    33    38    43  -0.50800  1.0 3.0
   34    33    40    41   0.56750  1.0 1.0
   34    33    40    41  -0.07550 -1.0 2.0
   34    33    40    41   0.20000  1.0 3.0
   34    33    40    42   0.27000  1.0 3.0
   34    33    40    45   0.56750  1.0 1.0
   34    33    40    45  -0.07550 -1.0 2.0
   34    33    40    45   0.20000  1.0 3.0
   38    33    40    41   0.61850  1.0 1.0
   38    33    40    41  -0.22750 -1.0 2.0
   38    33    40    41   0.15300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    48    49   1.00000 -1.0 2.0
   38    43    48    50  -0.33500  1.0 1.0
   38    43    48    50   1.06600 -1.0 2.0
   38    43    48    50  -0.14000  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    48   7.00000 -1.0 2.0
   43    48    50    51   0.00000  1.0 1.0
   43    48    50    52   0.65300  1.0 1.0
   43    48    50    52  -0.03850 -1.0 2.0
   43    48    50    52   0.33900  1.0 3.0
   43    48    50    53   0.65300  1.0 1.0
   43    48    50    53  -0.03850 -1.0 2.0
   43    48    50    53   0.33900  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.04550  1.0 1.0
   44    43    48    50   0.83000 -1.0 2.0
   44    43    48    50  -0.04000  1.0 3.0
   48    50    52    57   0.04300 -1.0 2.0
   48    50    52    65   0.04300 -1.0 2.0
   48    50    53    54   0.56750  1.0 1.0
   48    50    53    54  -0.07550 -1.0 2.0
   48    50    53    54   0.20000  1.0 3.0
   48    50    53    55   0.56750  1.0 1.0
   48    50    53    55  -0.07550 -1.0 2.0
   48    50    53    55   0.20000  1.0 3.0
   48    50    53    56   0.56750  1.0 1.0
   48    50    53    56  -0.07550 -1.0 2.0
   48    50    53    56   0.20000  1.0 3.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52   0.30150 -1.0 2.0
   49    48    50    53   0.30150 -1.0 2.0
   50    52    57    58   3.62500 -1.0 2.0
   50    52    57    59   3.62500 -1.0 2.0
   50    52    65    63   3.62500 -1.0 2.0
   50    52    65    66   3.62500 -1.0 2.0
   51    50    52    57   0.00000  1.0 1.0
   51    50    52    65   0.00000  1.0 1.0
   51    50    53    54   0.27000  1.0 3.0
   51    50    53    55   0.27000  1.0 3.0
   51    50    53    56   0.27000  1.0 3.0
   52    50    53    54   0.56750  1.0 1.0
   52    50    53    54  -0.07550 -1.0 2.0
   52    50    53    54   0.20000  1.0 3.0
   52    50    53    55   0.56750  1.0 1.0
   52    50    53    55  -0.07550 -1.0 2.0
   52    50    53    55   0.20000  1.0 3.0
   52    50    53    56   0.56750  1.0 1.0
   52    50    53    56  -0.07550 -1.0 2.0
   52    50    53    56   0.20000  1.0 3.0
   52    57    59    60   3.62500 -1.0 2.0
   52    57    59    61   3.62500 -1.0 2.0
   57    52    65    63   3.62500 -1.0 2.0
   57    52    65    66   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59   -61    63   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   59    61    63    65   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63   -65    52   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   64    63    65    52   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   65    52    57    58   3.62500 -1.0 2.0
   65    52   -57    59   3.62500 -1.0 2.0
   53    50    52    57   0.04150 -1.0 2.0
   53    50    52    65   0.04150 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   41    40    45    46   0.30150 -1.0 2.0
   41    40    45    47   0.30150 -1.0 2.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    47   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
   33    39    38    43  15.00000 -1.0 2.0
   48    44    43    38  15.00000 -1.0 2.0
   43    50    48    49  10.50000 -1.0 2.0
   57    65    52    50   4.00000 -1.0 2.0
   59    58    57    52   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   63    62    61    59   4.00000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   63    66    65    52   1.10000 -1.0 2.0
   46    40    45    47  10.50000 -1.0 2.0
END
