* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    114    184     341
    1     0 S   NP   _N1_     1    29.30689    92.38750   -23.69005
    2     1 S   H    _HN1     2     1.02969   103.32366     6.06521
    3     1 S   H    _H1_     3     1.02818    12.37016   115.55416
    4     1 S   H    _H2_     4     1.02784    98.69352  -105.09163
    5     1 S   CT   _CA1     5     1.50202   122.79387   131.36112
    6     5 S   HC   _HA1     6     1.09587   105.15933    56.01166
    7     5 S   CO3  _C1_     7     1.53876   112.36441   -63.76901
    8     7 S   O2Z  _O11     8     1.26441   115.19878   -42.96172
    9     7 S   O2Z  _O12     9     1.26250   114.91029   136.12672
   10     5 S   CT   _CB1    10     1.53055   107.17684   173.51094
   11    10 S   HC   HB11    11     1.09836   109.18098   -52.35734
   12    10 S   HC   HB12    12     1.09756   110.30981    63.80688
   13    10 S   CT   _CG1    13     1.53026   113.10583  -173.56928
   14    13 S   HC   HG11    14     1.09592   110.30407   -61.80372
   15    13 S   HC   HG12    15     1.09612   110.22811    57.55803
   16    13 S   C    _CD1    16     1.51816   111.97527   177.81206
   17    16 S   O    _OE1    17     1.22724   123.19811   -10.81862
   18    16 S   N    _N2_    18     1.38662   111.98090   169.94361
   19    18 S   H    _HN2    19     1.01550   119.16944     4.68676
   20    18 S   CT1  _CA2    20     1.46106   123.09533  -174.53248
   21    20 S   HC   _HA2    21     1.09587   109.02309     6.47738
   22    20 S   C    _C2_    22     1.53482   109.72145  -109.04496
   23    22 S   O    _O2_    23     1.23090   121.91680  -146.51460
   24    20 S   CT   _CB2    32     1.53658   111.70056   128.03402
   25    24 S   HC   HB21    33     1.09677   109.32960    71.44559
   26    24 S   HC   HB22    34     1.09549   110.77460  -171.77541
   27    22 S   N    _N3_    24     1.38411   113.88315    40.91919
   28    27 S   H    _HN3    25     1.01479   119.09723     0.06561
   29    24 S   S    _SG2    35     1.82961   115.17521   -47.35231
   30    27 S   CT   _CA3    26     1.45428   123.27512   175.66027
   31    30 S   HC   HA31    27     1.09532   109.22891    26.86701
   32    30 S   HC   HA32    28     1.09503   107.18406   143.75660
   33    29 S   CT   _C10    36     1.84488   101.11374   -66.88540
   34    33 S   HC   _H3_    37     1.09335   106.63531    38.76947
   35    30 S   CO3  _C3_    29     1.52863   112.84907   -96.57900
   36    35 S   O2Z  _O31    30     1.26408   115.20520   -53.85861
   37    35 S   O2Z  _O32    31     1.26327   115.14196   127.00927
   38    33 S   CA   _C9_    38     1.51731   111.61793   -80.50669
   39    33 S   CM   _C11    51     1.51608   107.87922   154.94787
   40    39 S   HC   _H7_    52     1.09134   115.47267    43.81293
   41    38 S   CA   _C4_    39     1.40596   121.95922   -64.88920
   42    41 S   HA   _H4_    40     1.08757   120.43381     0.00000
   43    39 S   CMA  _C12    53     1.35710   125.10619  -133.93657
   44    43 S   OM   _O36    54     1.26479   129.60614    -4.53713
   45    41 S   CA   _C5_    41     1.39691   120.86043   179.97202
   46    45 S   HA   _H5_    42     1.08613   119.30923  -179.97202
   47    43 S   CA   _C13    55     1.50088   110.82767   175.95954
   48    45 S   CA   _C6_    43     1.39269   119.72329     0.03956
   49    47 S   CA   _C14    56     1.40769   121.49466   102.82370
   50    48 S   CA   _C7_    44     1.39173   120.13628     0.05595
   51    48 S   OH   _O38    49     1.36717   120.47263  -179.97202
   52    51 S   HO   _H14    50     0.97200   108.67695    -0.28531
   53    49 S   CA   _C15    57     1.39595   121.17192  -179.86294
   54    53 S   HA   _H8_    58     1.08642   120.22743   179.78511
   55    49 S   OH   _O35    67     1.37126   122.27027     0.25023
   56    55 S   HO   _H12    68     0.97363   108.11051     7.29584
   57    38 S   CA   _C8_    45     1.40498   119.43967   115.23376
   58    57 S   HA   _H6_    46     1.08758   119.75493     0.11364
   59    50 S   OH   _O37    47     1.36766   119.31818   179.94405
   60    59 S   HO   _H13    48     0.97222   108.65235  -179.59846
   61    53 S   CA   _C16    59     1.39194   119.49577    -0.57437
   62    61 S   CA   _C17    60     1.39265   120.94856     0.11014
   63    62 S   HA   _H9_    61     1.08606   120.52989   180.00000
   64    61 S   OH   _O34    65     1.36701   118.09827  -179.82754
   65    64 S   HO   _H11    66     0.97239   108.54772  -180.00000
   66    47 S   CA   _C18    62     1.41012   120.67526   -77.69530
   67    66 S   OH   _O33    63     1.37105   119.27904     0.41637
   68    67 S   HO   _H10    64     0.97510   109.50888  -170.51357
  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  12   8   3   8   4   8   3   7   3  11   7
   9   6   3   1   9   4   3   1   3   1   1   1   6   6   3   2
   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    57    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    50    57    58    39    40    43    44    47  
   38    41    57    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    50    57    58    59    39    40    43  
   40    43    44    47    49    66    41    57  
   43    44    47  
   42    45    46    48    50    57    58    51  
   45    46    48    57  
   44    47    49    53    62    66    67    55  
   47    49    66  
   46    48    50    57    59    51    52  
   48    50    51  
   49    53    54    61    62    63    66    67    68    55    56  
   50    57    58    59    60    51    52  
   53    54    61    62    66    67    64    55    56  
   57    58    59    60    51    52  
   52    57    59  
    0  
   54    61    62    63    66    64    65    55    56  
   61    62    64    55  
   56    61    66  
    0  
   58    59    60  
   59  
   60  
    0  
   62    63    66    67    64    65  
   63    66    67    68    64    65  
   66    67    64  
   65    66  
    0  
   67    68  
   68  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   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   317.000  1.510
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    50   469.000  1.400
   48    51   450.000  1.364
   50    57   469.000  1.400
   50    59   450.000  1.364
   57    58   367.000  1.080
   59    60   553.000  0.945
   51    52   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   320.000  1.460
   47    49   469.000  1.400
   47    66   469.000  1.400
   49    53   469.000  1.400
   49    55   450.000  1.364
   53    54   367.000  1.080
   53    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   450.000  1.364
   67    68   553.000  0.945
   64    65   553.000  0.945
   55    56   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    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  112.20000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    50    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    50    63.00000  120.00000
   45    48    51    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    50    57    63.00000  120.00000
   48    50    59    70.00000  120.00000
   48    51    52    35.00000  113.00000
   50    57    58    35.00000  120.00000
   50    59    60    35.00000  113.00000
   57    38    41    63.00000  120.00000
   59    50    57    70.00000  120.00000
   51    48    50    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    60.00000  123.20500
   43    39    40    40.00000  120.50800
   43    47    49    60.00000  120.93500
   43    47    66    60.00000  120.93500
   47    43    44    85.00000  114.86500
   47    49    53    63.00000  120.00000
   47    49    55    70.00000  120.00000
   47    66    62    63.00000  120.00000
   47    66    67    70.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    61    63.00000  120.00000
   49    55    56    35.00000  113.00000
   53    61    62    63.00000  120.00000
   53    61    64    70.00000  120.00000
   61    53    54    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    35.00000  113.00000
   62    66    67    70.00000  120.00000
   66    47    49    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    67    68    35.00000  113.00000
   64    61    62    70.00000  120.00000
   55    49    53    70.00000  120.00000
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   0.32350  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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    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    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    57    50   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    57    50   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    45   -48    50   3.62500 -1.0 2.0
   41    45    48    51   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    50    57   3.62500 -1.0 2.0
   45    48    50    59   3.62500 -1.0 2.0
   45    48    51    52   0.84100 -1.0 2.0
   46    45    48    50   3.62500 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   48    50   -57    38   3.62500 -1.0 2.0
   48    50    57    58   3.62500 -1.0 2.0
   48    50    59    60   0.84100 -1.0 2.0
   50    48    51    52   0.84100 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   57    50    59    60   0.84100 -1.0 2.0
   59    50    57    38   3.62500 -1.0 2.0
   59    50    57    58   3.62500 -1.0 2.0
   51    48    50    57   3.62500 -1.0 2.0
   51    48    50    59   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    57   0.18050 -1.0 2.0
   39    43    47    49   0.15800  1.0 1.0
   39    43    47    49   1.85350 -1.0 2.0
   39    43    47    49  -0.48700  1.0 3.0
   39    43    47    66   0.15800  1.0 1.0
   39    43    47    66   1.85350 -1.0 2.0
   39    43    47    66  -0.48700  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    53   3.62500 -1.0 2.0
   43    47    49    55   3.62500 -1.0 2.0
   43    47    66    62   3.62500 -1.0 2.0
   43    47    66    67   3.62500 -1.0 2.0
   44    43    47    49  -0.01750  1.0 1.0
   44    43    47    49  -0.32000 -1.0 2.0
   44    43    47    49   0.00600  1.0 3.0
   44    43    47    66  -0.01750  1.0 1.0
   44    43    47    66  -0.32000 -1.0 2.0
   44    43    47    66   0.00600  1.0 3.0
   47    49    53    54   3.62500 -1.0 2.0
   47    49    53    61   3.62500 -1.0 2.0
   47    49    55    56   0.84100 -1.0 2.0
   47    66    67    68   0.84100 -1.0 2.0
   49    47    66    62   3.62500 -1.0 2.0
   49    47    66    67   3.62500 -1.0 2.0
   49    53   -61    62   3.62500 -1.0 2.0
   49    53    61    64   3.62500 -1.0 2.0
   53    49    55    56   0.84100 -1.0 2.0
   53    61    62    63   3.62500 -1.0 2.0
   53    61    62    66   3.62500 -1.0 2.0
   53    61    64    65   0.84100 -1.0 2.0
   54    53    61    62   3.62500 -1.0 2.0
   54    53    61    64   3.62500 -1.0 2.0
   61    62   -66    47   3.62500 -1.0 2.0
   61    62    66    67   3.62500 -1.0 2.0
   62    61    64    65   0.84100 -1.0 2.0
   62    66    67    68   0.84100 -1.0 2.0
   63    62    66    47   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   66    47   -49    53   3.62500 -1.0 2.0
   66    47    49    55   3.62500 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -1.0 2.0
   55    49    53    54   3.62500 -1.0 2.0
   55    49    53    61   3.62500 -1.0 2.0
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    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   50    51    48    45   4.00000 -1.0 2.0
   57    59    50    48   4.00000 -1.0 2.0
   50    58    57    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   49    66    47    43   4.00000 -1.0 2.0
   53    55    49    47   4.00000 -1.0 2.0
   61    54    53    49   1.10000 -1.0 2.0
   62    64    61    53   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   62    67    66    47   4.00000 -1.0 2.0
END
