* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    128    192     376
    1     0 S   NP   _N1_     1    28.85365    93.11985   -21.54283
    2     1 S   H    _HN1     2     1.02950    94.80805    16.04582
    3     1 S   H    _H1_     3     1.02832    24.66248   137.54813
    4     1 S   H    _H2_     4     1.02782    92.51335   -92.60823
    5     1 S   CT   _CA1     5     1.50111   135.34629   141.74045
    6     5 S   HC   _HA1     6     1.09575   105.20444    57.26967
    7     5 S   CO3  _C1_     7     1.53770   112.43371   -62.90522
    8     7 S   O2Z  _O11     8     1.26367   115.03074   -42.91802
    9     7 S   O2Z  _O12     9     1.26242   114.96967   136.33278
   10     5 S   CT   _CB1    10     1.53107   107.42361   175.18558
   11    10 S   HC   HB11    11     1.09821   109.33423   -50.27432
   12    10 S   HC   HB12    12     1.09820   110.45347    66.33801
   13    10 S   CT   _CG1    13     1.52961   112.60725  -171.34776
   14    13 S   HC   HG11    14     1.09523   110.36110   -64.79527
   15    13 S   HC   HG12    15     1.09657   109.98675    54.38500
   16    13 S   C    _CD1    16     1.51792   112.43307   174.77325
   17    16 S   O    _OE1    17     1.22721   123.31192    -1.04736
   18    16 S   N    _N2_    18     1.38606   111.56954   179.07656
   19    18 S   H    _HN2    19     1.01615   118.95693     0.62370
   20    18 S   CT1  _CA2    20     1.46281   123.51891   179.49332
   21    20 S   HC   _HA2    21     1.09734   109.37978    -9.37798
   22    20 S   C    _C2_    22     1.53385   108.44589  -124.94629
   23    22 S   O    _O2_    23     1.23034   122.37206  -148.30277
   24    20 S   CT   _CB2    32     1.53317   111.22384   112.75838
   25    24 S   HC   HB21    33     1.09519   109.48431    54.39093
   26    24 S   HC   HB22    34     1.09492   110.92704   173.41977
   27    22 S   N    _N3_    24     1.38372   113.47832    39.27731
   28    27 S   H    _HN3    25     1.01642   119.48419    -3.73795
   29    24 S   S    _SG2    35     1.82652   111.20131   -66.94438
   30    27 S   CT   _CA3    26     1.45286   123.11958   176.91593
   31    30 S   HC   HA31    27     1.09552   107.54878   -63.28489
   32    30 S   HC   HA32    28     1.09559   107.91531    53.11150
   33    29 S   CT   _C12    36     1.85359    99.81695   162.71774
   34    33 S   HC   _H4_    37     1.09722   108.00626    -2.95406
   35    30 S   CO3  _C3_    29     1.52933   114.15376   175.09112
   36    35 S   O2Z  _O31    30     1.26365   116.06469    -0.32865
   37    35 S   O2Z  _O32    31     1.26432   114.41030   179.72094
   38    33 S   CA   _C13    38     1.52426   108.47686   113.74698
   39    33 S   CT   _C9_    53     1.55786   109.49013  -120.65218
   40    39 S   HC   _H3_    54     1.09198   108.32947   -58.14760
   41    38 S   CA   _C14    39     1.40527   121.95480    72.81489
   42    41 S   HA   _H16    40     1.08737   120.21347    -0.39860
   43    39 S   CZ   _C10    55     1.48212   110.74544  -177.15071
   44    39 S   C    _C8_    58     1.54011   111.04754    63.81524
   45    44 S   O    _O33    59     1.23674   119.60967    40.47603
   46    41 S   CA   _C15    41     1.39900   119.67432  -179.64834
   47    43 S   CZ   _C11    56     1.20076   179.72094   114.77709
   48    47 S   HC   _H15    57     1.06505   180.00000   -94.77780
   49    44 S   N    _N4_    60     1.39903   118.11089  -141.10848
   50    46 S   CA   _C16    42     1.39176   121.60584    -0.10653
   51    46 S   NO2  _N5_    50     1.44646   118.03866   179.88297
   52    51 S   ON   _O37    51     1.23826   116.97960    55.50373
   53    51 S   ON   _O36    52     1.23787   117.39071  -123.49948
   54    49 S   CT   _C5_    61     1.46860   125.42843    -2.85574
   55    54 S   HC   _H8_    62     1.09593   108.55721  -147.06139
   56    54 S   HC   _H9_    63     1.09305   110.12715   -31.10418
   57    49 S   CT   _C6_    68     1.46655   118.40625   178.13859
   58    57 S   HC   _H10    69     1.09443   108.91308  -147.52689
   59    57 S   HC   _H11    70     1.09569   109.31193   -30.64382
   60    50 S   CA   _C17    43     1.39168   118.69085     0.51851
   61    50 S   OH   _O35    48     1.36539   121.07610  -178.67264
   62    61 S   HO   _H19    49     0.97438   107.46056  -179.82529
   63    54 S   CT   _C4_    64     1.52103   111.73541    91.68128
   64    63 S   HC   _H5_    65     1.09393   111.49705   -60.20217
   65    63 S   HC   _H6_    66     1.09446   111.12489    59.65870
   66    63 S   HC   _H7_    67     1.09422   110.28026   179.58222
   67    57 S   CT   _C7_    71     1.52035   111.75223    90.17977
   68    67 S   HC   _H12    72     1.09489   111.08491   -59.61487
   69    67 S   HC   _H13    73     1.09464   111.20269    60.32227
   70    67 S   HC   _H14    74     1.09428   110.29857  -179.64282
   71    38 S   CA   _C18    44     1.40752   119.30416  -106.30714
   72    71 S   HA   _H17    45     1.08768   119.77591    -0.33102
   73    60 S   OH   _O34    46     1.36817   118.54268   179.87028
   74    73 S   HO   _H18    47     0.97278   108.67029  -179.88636
  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
  15   7   2   1   1  13  11   5  10   4   5  11   3   9   1   1
  14  10   4   1   1  10   6   5   7   5   4   6   3   1   3   2
   1   1   3   2   1   1   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    71    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    60    71    72    39    40    43    47    44    45    49  
   38    41    71    39    40    43    44  
   36    37  
   37  
    0  
   41    42    46    50    60    71    72    73    51    39    40    43    44  
   40    43    47    48    44    45    49    54    57    41    71  
   43    47    44    45    49  
   42    46    50    60    71    72    61    51    52    53  
   46    50    71    51  
   47    48    44    45    49  
   45    49    54    55    56    63    57    58    59    67    47  
   49    54    57  
   50    60    71    73    61    62    51    52    53  
   48  
    0  
   54    55    56    63    64    65    66    57    58    59    67    68    69    70  
   60    71    72    73    74    61    62    51    52    53  
   52    53    60    61  
   53  
    0  
   55    56    63    64    65    66    57    58    59    67  
   56    63    64    65    66    57  
   63    64    65    66    57  
   58    59    67    68    69    70    63  
   59    67    68    69    70  
   67    68    69    70  
   71    72    73    74    61    62  
   62    71    73  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74  
   73  
   74  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.6500   0.1500   0.010000   2.0580   1.8250   0.025318638  -1.264311570
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.6500   0.1500  -0.210000   2.0580   1.8250   0.025318638  -1.264311570
   48   2.4200   0.0300   0.200000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   52   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   53   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   54   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    71   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    50   469.000  1.400
   46    51   400.000  1.460
   50    60   469.000  1.400
   50    61   450.000  1.364
   60    71   469.000  1.400
   60    73   450.000  1.364
   71    72   367.000  1.080
   73    74   553.000  0.945
   61    62   553.000  0.945
   51    52   550.000  1.225
   51    53   550.000  1.225
   39    40   340.000  1.090
   39    43   390.000  1.470
   39    44   317.000  1.522
   43    47   985.000  1.221
   47    48   410.000  1.067
   44    45   570.000  1.229
   44    49   490.000  1.335
   49    54   337.000  1.449
   49    57   337.000  1.449
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    71    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    71    60    63.00000  120.00000
   38    71    72    35.00000  120.00000
   41    46    50    63.00000  120.00000
   41    46    51    85.00000  120.00000
   46    41    42    35.00000  120.00000
   46    50    60    63.00000  120.00000
   46    50    61    70.00000  120.00000
   46    51    52    80.00000  117.50000
   46    51    53    80.00000  117.50000
   50    60    71    63.00000  120.00000
   50    60    73    70.00000  120.00000
   50    61    62    35.00000  113.00000
   60    71    72    35.00000  120.00000
   60    73    74    35.00000  113.00000
   71    38    41    63.00000  120.00000
   73    60    71    70.00000  120.00000
   61    50    60    70.00000  120.00000
   51    46    50    85.00000  120.00000
   53    51    52    80.00000  125.30000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    47    30.00000  179.48800
   39    44    45    80.00000  120.40000
   39    44    49    70.00000  116.60000
   43    39    40    35.00000  108.50000
   43    47    48    20.00000  179.85100
   44    39    40    35.00000  109.50000
   44    39    43    70.00000  111.78000
   44    49    54    50.00000  121.90000
   44    49    57    50.00000  121.90000
   49    44    45    80.00000  122.90000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   49    54    63    70.00000  110.72300
   49    57    58    35.00000  109.50000
   49    57    59    35.00000  109.50000
   49    57    67    70.00000  110.72300
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    66    37.50000  110.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   57    49    54    50.00000  118.00000
   57    67    68    37.50000  110.70000
   57    67    69    37.50000  110.70000
   57    67    70    37.50000  110.70000
   59    57    58    33.00000  107.80000
   67    57    58    37.50000  110.70000
   67    57    59    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    71  -0.16000  1.0 1.0
   29    33    38    71  -0.03200 -1.0 2.0
   29    33    38    71   0.04500  1.0 3.0
   29    33    39    40   0.15000  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
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    71    60   3.62500 -1.0 2.0
   33    38    71    72   3.62500 -1.0 2.0
   33    39    43    47   0.00000  1.0 1.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    49   1.39750  1.0 1.0
   33    39    44    49  -0.07950 -1.0 2.0
   33    39    44    49  -0.18750  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    71   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    41    46    50   3.62500 -1.0 2.0
   38    41    46    51   3.62500 -1.0 2.0
   41    38    71    60   3.62500 -1.0 2.0
   41    38    71    72   3.62500 -1.0 2.0
   41    46   -50    60   3.62500 -1.0 2.0
   41    46    50    61   3.62500 -1.0 2.0
   41    46    51    52   0.69950 -1.0 2.0
   41    46    51    53   0.69950 -1.0 2.0
   42    41    46    50   3.62500 -1.0 2.0
   42    41    46    51   3.62500 -1.0 2.0
   46    50    60    71   3.62500 -1.0 2.0
   46    50    60    73   3.62500 -1.0 2.0
   46    50    61    62   0.84100 -1.0 2.0
   50    46    51    52   0.69950 -1.0 2.0
   50    46    51    53   0.69950 -1.0 2.0
   50    60   -71    38   3.62500 -1.0 2.0
   50    60    71    72   3.62500 -1.0 2.0
   50    60    73    74   0.84100 -1.0 2.0
   60    50    61    62   0.84100 -1.0 2.0
   71    38    41    42   3.62500 -1.0 2.0
   71    38   -41    46   3.62500 -1.0 2.0
   71    60    73    74   0.84100 -1.0 2.0
   73    60    71    38   3.62500 -1.0 2.0
   73    60    71    72   3.62500 -1.0 2.0
   61    50    60    71   3.62500 -1.0 2.0
   61    50    60    73   3.62500 -1.0 2.0
   51    46    50    60   3.62500 -1.0 2.0
   51    46    50    61   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    71   0.04150 -1.0 2.0
   39    43    47    48   0.00000  1.0 1.0
   39    44    49    54   1.49850  1.0 1.0
   39    44    49    54   1.53950 -1.0 2.0
   39    44    49    57   1.49850  1.0 1.0
   39    44    49    57   1.53950 -1.0 2.0
   40    39    43    47   0.00000  1.0 1.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    49   0.00000  1.0 1.0
   43    39    44    45   0.30150 -1.0 2.0
   43    39    44    49   0.00000  1.0 1.0
   44    39    43    47   0.00000  1.0 1.0
   44    49    54    55   0.00000  1.0 1.0
   44    49    54    56   0.00000  1.0 1.0
   44    49    54    63  -0.43950  1.0 1.0
   44    49    54    63  -0.08100 -1.0 2.0
   44    49    54    63   0.03350  1.0 3.0
   44    49    57    58   0.00000  1.0 1.0
   44    49    57    59   0.00000  1.0 1.0
   44    49    57    67  -0.43950  1.0 1.0
   44    49    57    67  -0.08100 -1.0 2.0
   44    49    57    67   0.03350  1.0 3.0
   45    44    49    54   3.04450 -1.0 2.0
   45    44    49    57   3.04450 -1.0 2.0
   49    54    63    64   0.15000  1.0 3.0
   49    54    63    65   0.15000  1.0 3.0
   49    54    63    66   0.15000  1.0 3.0
   49    57    67    68   0.15000  1.0 3.0
   49    57    67    69   0.15000  1.0 3.0
   49    57    67    70   0.15000  1.0 3.0
   54    49    57    58   0.00000  1.0 1.0
   54    49    57    59   0.00000  1.0 1.0
   54    49    57    67  -0.05900 -1.0 2.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    65   0.15000  1.0 3.0
   55    54    63    66   0.15000  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    65   0.15000  1.0 3.0
   56    54    63    66   0.15000  1.0 3.0
   57    49    54    55   0.00000  1.0 1.0
   57    49    54    56   0.00000  1.0 1.0
   57    49    54    63  -0.05900 -1.0 2.0
   58    57    67    68   0.15000  1.0 3.0
   58    57    67    69   0.15000  1.0 3.0
   58    57    67    70   0.15000  1.0 3.0
   59    57    67    68   0.15000  1.0 3.0
   59    57    67    69   0.15000  1.0 3.0
   59    57    67    70   0.15000  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
   41    71    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   50    51    46    41   4.00000 -1.0 2.0
   60    61    50    46   4.00000 -1.0 2.0
   71    73    60    50   4.00000 -1.0 2.0
   60    72    71    38   1.10000 -1.0 2.0
   52    46    51    53  10.50000 -1.0 2.0
   39    49    44    45  10.50000 -1.0 2.0
   57    44    49    54   1.00000 -1.0 2.0
END
