* LIGAND DATABASE FILE (OPLS2005)
*
001      66    66    114    175     337
    1     0 S   NP   _N1_     1    30.78984   100.01778   -21.96482
    2     1 S   H    _HN1     2     1.02699    56.62989   139.43026
    3     1 S   H    _H1_     3     1.03470   161.27531   175.83820
    4     1 S   H    _H2_     4     1.02867    71.58645   -93.79275
    5     1 S   CT   _CA1     5     1.50175    84.89102    19.89531
    6     5 S   HC   _HA1     6     1.09509   105.06295   106.47820
    7     5 S   CO3  _C1_     7     1.53691   113.23403   -14.08772
    8     7 S   O2Z  _O11     8     1.26431   115.09512   -32.17050
    9     7 S   O2Z  _O12     9     1.26264   115.13723   147.20654
   10     5 S   CT   _CB1    10     1.52853   107.17367  -135.12427
   11    10 S   HC   HB11    11     1.09567   109.07296   -42.91097
   12    10 S   HC   HB12    12     1.09834   110.59349    72.72530
   13    10 S   CT   _CG1    13     1.53179   113.29351  -164.94169
   14    13 S   HC   HG11    14     1.09517   111.09882   -85.87038
   15    13 S   HC   HG12    15     1.09625   111.37726    33.80095
   16    13 S   C    _CD1    16     1.51493   109.01997   153.86030
   17    16 S   O    _OE1    17     1.22772   122.11342    95.01318
   18    16 S   N    _N2_    18     1.38486   112.19352   -81.76728
   19    18 S   H    _HN2    19     1.01943   118.50001    -3.39448
   20    18 S   CT1  _CA2    20     1.45771   123.19349   168.24062
   21    20 S   HC   _HA2    21     1.09696   108.93716    24.99041
   22    20 S   C    _C2_    22     1.53377   108.39665   -91.20097
   23    22 S   O    _O2_    23     1.23157   120.61647   148.19539
   24    20 S   CT   _CB2    32     1.53131   111.96425   148.55944
   25    24 S   HC   HB21    33     1.09399   109.93446    53.64488
   26    24 S   HC   HB22    34     1.09549   110.06008   172.26955
   27    22 S   N    _N3_    24     1.38518   114.72271   -39.38653
   28    27 S   H    _HN3    25     1.01748   119.31358     3.19138
   29    24 S   S    _SG2    35     1.82747   111.17764   -67.93142
   30    27 S   CT   _CA3    26     1.45529   123.87473  -178.77251
   31    30 S   HC   HA31    27     1.09481   109.91488     6.22025
   32    30 S   HC   HA32    28     1.09491   107.03823   123.10616
   33    29 S   CT   _C15    36     1.83090    99.78634   177.34458
   34    33 S   HC   _H12    37     1.09473   108.47392    49.59746
   35    33 S   HC   _H13    38     1.09518   106.15986   165.39846
   36    30 S   CO3  _C3_    29     1.52966   112.59316  -117.47365
   37    36 S   O2Z  _O31    30     1.26514   115.44428   -59.95655
   38    36 S   O2Z  _O32    31     1.26314   115.21792   120.53979
   39    33 S   CT   _C14    39     1.53395   112.45734   -73.93262
   40    39 S   HC   _H4_    40     1.09041   109.87829    50.85005
   41    39 S   CT   _C13    41     1.53541   111.83244   172.65613
   42    41 S   HC   _H3_    42     1.09554   110.72008   -56.00579
   43    39 S   OH   _O36    65     1.43002   109.22921   -66.73520
   44    43 S   HO   _H14    66     0.97344   107.37359   -68.79084
   45    41 S   CO4  _C12    43     1.53189   112.08555  -177.03826
   46    45 S   O    _O35    44     1.23254   121.72943  -104.69888
   47    41 S   OH   _O37    63     1.42313   108.91425    62.00684
   48    47 S   HO   _H15    64     0.97289   107.55017  -179.93147
   49    45 S   CT   _C11    45     1.51690   117.49172    76.63532
   50    49 S   HC   _H10    46     1.09556   108.56088   157.67905
   51    49 S   HC   _H11    47     1.09581   107.76186    40.82958
   52    49 S   NE   _N4_    48     1.44406   109.59895   -81.27930
   53    52 S   H    _H9_    49     1.01849   118.77873   -20.00041
   54    52 S   CA   _C7_    50     1.38908   124.39458   166.76164
   55    54 S   CA   _C6_    51     1.40717   121.81065     8.98317
   56    55 S   HA   _H7_    52     1.08725   120.74190     3.25028
   57    55 S   CA   _C5_    53     1.39691   121.68781  -177.39060
   58    57 S   HA   _H6_    54     1.08614   119.92845  -179.50544
   59    57 S   CA   _C4_    55     1.38770   120.00990     0.63766
   60    59 S   HA   _H5_    56     1.08584   120.30644   179.84934
   61    59 S   CA   _C9_    57     1.39171   119.61091     0.19881
   62    61 S   HA   _H8_    58     1.08780   118.70200   179.66196
   63    54 S   CA   _C8_    59     1.41696   120.23387  -166.91364
   64    63 S   CO3  _C10    60     1.50782   122.10694    -1.37743
   65    64 S   O2Z  _O34    61     1.26991   117.39647   -39.33532
   66    64 S   O2Z  _O33    62     1.27113   116.71701   140.46933
  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   7   5   4   3
  10   5   4   2   1   1  10   6  11   6   3   1   9   5   2   1
   7   4   3   8   3  11   8   4   6   3   5   3   5   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    49    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    51    52    47    48    43    44  
   45    46    49    47    48    43  
   44    45    47  
    0  
   46    49    50    51    52    53    54    47    48  
   49    50    51    52    47  
   48    49  
    0  
   50    51    52    53    54    55    63  
   51    52    53    54  
   52    53    54  
   53    54    55    56    57    61    63    64  
   54    55    63  
   55    56    57    58    59    61    62    63    64    65    66  
   56    57    58    59    60    61    63    64  
   57    58    59    63  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    63    64  
   61    62    63  
   62    63    64    65    66  
   63    64  
   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  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   53   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   317.000  1.522
   41    47   320.000  1.410
   45    46   570.000  1.229
   45    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   382.000  1.448
   52    53   434.000  1.010
   52    54   481.000  1.340
   54    55   469.000  1.400
   54    63   469.000  1.400
   55    56   367.000  1.080
   55    57   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   367.000  1.080
   61    63   469.000  1.400
   63    64   400.000  1.490
   64    65   656.000  1.250
   64    66   656.000  1.250
   47    48   553.000  0.945
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    63.00000  111.10000
   39    41    47    50.00000  109.50000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    46    80.00000  120.40000
   41    45    49    70.00000  116.00000
   41    47    48    55.00000  108.50000
   45    41    42    35.00000  109.50000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    52    80.00000  111.64100
   49    45    46    80.00000  120.40000
   49    52    53    35.00000  112.50000
   49    52    54    50.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   52    54    55    70.00000  120.10000
   52    54    63    70.00000  120.10000
   54    52    53    35.00000  113.50000
   54    55    56    35.00000  120.00000
   54    55    57    63.00000  120.00000
   54    63    61    63.00000  120.00000
   54    63    64    85.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    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    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    85.00000  120.00000
   63    54    55    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    64    65    80.00000  120.40000
   63    64    66    80.00000  120.40000
   66    64    65    80.00000  126.00000
   47    41    42    35.00000  109.50000
   47    41    45    90.00000  109.61100
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    45  -0.95700  1.0 1.0
   33    39    41    45  -0.18200 -1.0 2.0
   33    39    41    45   0.29450  1.0 3.0
   33    39    41    47   0.86500  1.0 1.0
   33    39    41    47  -0.17500 -1.0 2.0
   33    39    41    47   0.20800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46   0.30150 -1.0 2.0
   39    41    45    49   0.60050  1.0 1.0
   39    41    45    49   0.05600 -1.0 2.0
   39    41    45    49   0.26150  1.0 3.0
   39    41    47    48  -0.11600  1.0 1.0
   39    41    47    48  -0.09450 -1.0 2.0
   39    41    47    48   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45  -0.11250  1.0 3.0
   40    39    41    47   0.23400  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    49    50   0.00000  1.0 1.0
   41    45    49    51   0.00000  1.0 1.0
   41    45    49    52   0.65300  1.0 1.0
   41    45    49    52  -0.03850 -1.0 2.0
   41    45    49    52   0.33900  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    49   0.00000  1.0 1.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48   0.91850  1.0 1.0
   45    41    47    48   0.57950  1.0 3.0
   45    49    52    53  -0.12500  1.0 1.0
   45    49    52    53  -0.12500 -1.0 2.0
   45    49    52    53   0.25000  1.0 3.0
   45    49    52    54  -0.12500  1.0 1.0
   45    49    52    54  -0.12500 -1.0 2.0
   45    49    52    54   0.25000  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51   0.00000  1.0 1.0
   46    45    49    52   0.30150 -1.0 2.0
   49    52    54    55  -1.00000  1.0 1.0
   49    52    54    55   1.25000 -1.0 2.0
   49    52    54    63  -1.00000  1.0 1.0
   49    52    54    63   1.25000 -1.0 2.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    54   0.00000  1.0 1.0
   51    49    52    53   0.00000  1.0 1.0
   51    49    52    54   0.00000  1.0 1.0
   52    54    55    56   3.62500 -1.0 2.0
   52    54    55    57   3.62500 -1.0 2.0
   52    54    63    61   3.62500 -1.0 2.0
   52    54    63    64   3.62500 -1.0 2.0
   53    52    54    55   1.00000 -1.0 2.0
   53    52    54    63   1.00000 -1.0 2.0
   54    55    57    58   3.62500 -1.0 2.0
   54    55    57    59   3.62500 -1.0 2.0
   54    63    64    65   1.05000 -1.0 2.0
   54    63    64    66   1.05000 -1.0 2.0
   55    54    63    61   3.62500 -1.0 2.0
   55    54    63    64   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57   -59    61   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   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    54   3.62500 -1.0 2.0
   59    61    63    64   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    64    65   1.05000 -1.0 2.0
   61    63    64    66   1.05000 -1.0 2.0
   62    61    63    54   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   63    54    55    56   3.62500 -1.0 2.0
   63    54   -55    57   3.62500 -1.0 2.0
   47    41    45    46   0.30150 -1.0 2.0
   47    41    45    49   0.55300  1.0 1.0
   47    41    45    49   1.25850 -1.0 2.0
   47    41    45    49  -0.23600  1.0 3.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45  -0.09450  1.0 1.0
   43    39    41    45  -1.12950 -1.0 2.0
   43    39    41    45   0.54000  1.0 3.0
   43    39    41    47   3.75450  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
   37    30    36    38  10.50000 -1.0 2.0
   41    49    45    46  10.50000 -1.0 2.0
   53    54    52    49   1.00000 -1.0 2.0
   55    63    54    52   4.00000 -1.0 2.0
   57    56    55    54   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   61    64    63    54   4.00000 -1.0 2.0
   65    63    64    66  10.50000 -1.0 2.0
END
