* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    121    198     358
    1     0 S   NP   _N1_     1    28.25238    97.27620   -21.89548
    2     1 S   H    _HN1     2     1.02835    38.88799   131.66845
    3     1 S   H    _H1_     3     1.02781    97.85413  -119.51804
    4     1 S   H    _H2_     4     1.02957    75.19484   -12.56506
    5     1 S   CT   _CA1     5     1.50105   144.59891    91.95788
    6     5 S   HC   _HA1     6     1.09579   105.24455    84.57965
    7     5 S   CO3  _C1_     7     1.53912   112.33919   -35.55374
    8     7 S   O2Z  _O11     8     1.26345   115.01689   -44.89441
    9     7 S   O2Z  _O12     9     1.26317   115.01898   134.31943
   10     5 S   CT   _CB1    10     1.53177   107.39546  -157.53904
   11    10 S   HC   HB11    11     1.09812   109.57668   -50.63308
   12    10 S   HC   HB12    12     1.09808   110.39111    66.09237
   13    10 S   CT   _CG1    13     1.52861   112.34890  -171.65767
   14    13 S   HC   HG11    14     1.09487   110.02998   -62.85782
   15    13 S   HC   HG12    15     1.09637   109.94705    56.32501
   16    13 S   C    _CD1    16     1.51729   112.85241   177.33582
   17    16 S   O    _OE1    17     1.22717   123.38080     1.92417
   18    16 S   N    _N2_    18     1.38515   111.46864  -178.71824
   19    18 S   H    _HN2    19     1.01537   119.02958     5.14278
   20    18 S   CT1  _CA2    20     1.45821   123.21834  -178.79082
   21    20 S   HC   _HA2    21     1.09724   108.71244    25.79741
   22    20 S   C    _C2_    22     1.52854   107.14026   -91.52483
   23    22 S   O    _O2_    23     1.22988   123.04234   -27.44770
   24    20 S   CT   _CB2    32     1.53313   112.08075   148.65596
   25    24 S   HC   HB21    33     1.09382   109.85925    59.78600
   26    24 S   HC   HB22    34     1.09533   110.06732   178.04976
   27    22 S   N    _N3_    24     1.38498   112.58703   155.22005
   28    27 S   H    _HN3    25     1.01654   120.35594    -1.75769
   29    24 S   S    _SG2    35     1.83128   110.70306   -62.15043
   30    27 S   CT   _CA3    26     1.45348   122.42489   178.68285
   31    30 S   HC   HA31    27     1.09568   107.68344   -58.37024
   32    30 S   HC   HA32    28     1.09566   107.71266    57.93089
   33    29 S   CT   _C12    36     1.84354   101.58248   161.05817
   34    33 S   OM   _O36    37     1.32249   109.83267    60.23055
   35    30 S   CO3  _C3_    29     1.52880   114.39589   179.77971
   36    35 S   O2Z  _O31    30     1.26327   116.09710    -0.75277
   37    35 S   O2Z  _O32    31     1.26449   114.39681   179.26325
   38    33 S   CM   _C11    38     1.51385   112.72433   179.35018
   39    38 S   OS   _O34    39     1.40293   112.07937   144.33874
   40    38 S   CM   _C10    56     1.34778   127.58861   -34.16357
   41    40 S   HC   _H8_    57     1.08666   120.26253    -0.33455
   42    39 S   CO4  _C14    40     1.36506   107.54300    -9.31770
   43    42 S   O    _O33    41     1.22463   123.42319   176.65807
   44    40 S   CA   _C9_    58     1.46942   125.20740   178.94186
   45    33 S   CT   _C13    42     1.54829   116.04719   -65.58132
   46    45 S   HC   _H3_    43     1.10159   110.15387   103.79728
   47    44 S   CA   _C4_    59     1.40192   118.91943  -130.58257
   48    47 S   HA   _H4_    60     1.08783   120.53860     1.60742
   49    45 S   CA   _C15    44     1.52405   119.92091   -22.52635
   50    47 S   CA   _C5_    61     1.39610   120.47655  -178.79488
   51    50 S   HA   _H5_    62     1.08619   119.84858  -179.55413
   52    49 S   CA   _C16    45     1.40561   119.25193   124.28374
   53    52 S   HA   _H9_    46     1.08762   120.35907    -0.46897
   54    50 S   CA   _C6_    63     1.39142   119.62832     0.54894
   55    52 S   CA   _C17    47     1.39563   120.90756  -179.98022
   56    55 S   HA   _H10    48     1.08612   119.87059   179.32536
   57    54 S   CA   _C7_    64     1.39248   120.73624     0.21306
   58    57 S   HA   _H6_    65     1.08596   121.02104   179.51261
   59    54 S   OH   _O37    68     1.36619   118.19763   180.00000
   60    59 S   HO   _H14    69     0.97240   108.54735   180.00000
   61    55 S   CA   _C18    49     1.38993   119.58132    -0.03426
   62    44 S   CA   _C8_    66     1.40232   121.93282    51.98201
   63    62 S   HA   _H7_    67     1.08768   120.65255    -0.90849
   64    61 S   CA   _C19    50     1.39161   120.68009    -0.90374
   65    64 S   HA   _H11    51     1.08630   120.87312  -179.65508
   66    61 S   OH   _O35    54     1.36598   118.17770   178.52157
   67    66 S   HO   _H13    55     0.97687   108.73329  -169.65497
   68    49 S   CA   _C20    52     1.40507   122.33757   -56.90959
   69    68 S   HA   _H12    53     1.08693   120.71491     0.28736
  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
  13   7   2   1   1  11   8  10   3   6   3   9   8   3   8   4
   9   7   3   8   4   6   7   3   5   3   2   1   6   1   1   5
   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    45    46    49    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    45    46    49    52    68    40    41    44  
   38    39    42    45    46    49    40  
   36    37  
   37  
    0  
   39    42    43    45    46    49    40    41    44    47    62  
   42    43    45    46    49    40    41    44  
   41    44    47    48    50    57    62    63    42    45  
   44    47    62  
   43    45    46    49    52    68  
   45    46    49  
   47    48    50    51    54    57    58    62    63  
   46    49    52    53    55    64    68    69  
   49    52    68  
   48    50    51    54    57    62    63    59  
   50    51    54    62  
   52    53    55    56    61    64    65    68    69  
   51    54    57    58    62    59    60  
   54    57    59  
   53    55    56    61    64    68    69    66  
   55    56    61    68  
   57    58    62    63    59    60  
   56    61    64    65    68    66    67  
   61    64    66  
   58    62    63    59    60  
   62    63    59  
   60    62  
    0  
   64    65    68    69    66    67  
   63  
    0  
   65    68    69    66    67  
   68    69    66  
   67    68  
    0  
   69  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   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   3.0700   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   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   570.000  1.307
   33    38   317.000  1.510
   33    45   268.000  1.529
   38    39   440.000  1.360
   38    40   549.000  1.340
   39    42   214.000  1.327
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    46   340.000  1.090
   45    49   317.000  1.510
   49    52   469.000  1.400
   49    68   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    56   367.000  1.080
   55    61   469.000  1.400
   61    64   469.000  1.400
   61    66   450.000  1.364
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   367.000  1.080
   66    67   553.000  0.945
   40    41   340.000  1.080
   40    44   320.000  1.460
   44    47   469.000  1.400
   44    62   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    57   469.000  1.400
   54    59   450.000  1.364
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   367.000  1.080
   59    60   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    45    75.00000  111.63000
   33    38    39    85.00000  112.85300
   33    38    40    70.00000  124.00000
   33    45    42    63.00000  111.10000
   33    45    46    37.50000  110.70000
   33    45    49    70.00000  112.17500
   38    33    34    85.00000  110.90400
   38    39    42    90.00000  114.22900
   38    40    41    35.00000  120.00000
   38    40    44    60.00000  123.20500
   39    42    43    83.00000  123.40000
   39    42    45    81.00000  111.40000
   42    45    46    35.00000  109.50000
   42    45    49    70.00000  110.93000
   45    33    34    50.00000  109.50000
   45    33    38    70.00000  112.02700
   45    42    43    80.00000  120.40000
   45    49    52    70.00000  120.00000
   45    49    68    70.00000  120.00000
   49    45    46    35.00000  109.50000
   49    52    53    35.00000  120.00000
   49    52    55    63.00000  120.00000
   49    68    64    63.00000  120.00000
   49    68    69    35.00000  120.00000
   52    55    56    35.00000  120.00000
   52    55    61    63.00000  120.00000
   55    52    53    35.00000  120.00000
   55    61    64    63.00000  120.00000
   55    61    66    70.00000  120.00000
   61    55    56    35.00000  120.00000
   61    64    65    35.00000  120.00000
   61    64    68    63.00000  120.00000
   61    66    67    35.00000  113.00000
   64    68    69    35.00000  120.00000
   68    49    52    63.00000  120.00000
   68    64    65    35.00000  120.00000
   66    61    64    70.00000  120.00000
   40    38    39    80.00000  120.01400
   40    44    47    60.00000  120.93500
   40    44    62    60.00000  120.93500
   44    40    41    40.00000  117.26300
   44    47    48    35.00000  120.00000
   44    47    50    63.00000  120.00000
   44    62    57    63.00000  120.00000
   44    62    63    35.00000  120.00000
   47    50    51    35.00000  120.00000
   47    50    54    63.00000  120.00000
   50    47    48    35.00000  120.00000
   50    54    57    63.00000  120.00000
   50    54    59    70.00000  120.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    62    63.00000  120.00000
   54    59    60    35.00000  113.00000
   57    62    63    35.00000  120.00000
   62    44    47    63.00000  120.00000
   62    57    58    35.00000  120.00000
   59    54    57    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    42   0.56750  1.0 1.0
   29    33    45    42  -0.07550 -1.0 2.0
   29    33    45    42   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    49   0.56750  1.0 1.0
   29    33    45    49  -0.07550 -1.0 2.0
   29    33    45    49   0.20000  1.0 3.0
   33    38   -39    42   2.00000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    45    49    52   0.04150 -1.0 2.0
   33    45    49    68   0.04150 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    45    42  -0.09450  1.0 1.0
   34    33    45    42  -1.12950 -1.0 2.0
   34    33    45    42   0.54000  1.0 3.0
   34    33    45    46   0.23400  1.0 3.0
   34    33    45    49  -0.64350  1.0 1.0
   34    33    45    49  -0.04200 -1.0 2.0
   34    33    45    49   0.19800  1.0 3.0
   38    33   -45    42  -0.98800  1.0 1.0
   38    33   -45    42   0.48800 -1.0 2.0
   38    33   -45    42   0.76800  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    33    45    49   0.21200  1.0 1.0
   38    33    45    49   0.16900 -1.0 2.0
   38    33    45    49  -1.15100  1.0 3.0
   38    39    42    43   3.00000 -1.0 2.0
   38    39   -42    45   0.82650  1.0 1.0
   38    39   -42    45   1.69000 -1.0 2.0
   38    40    44    47   0.15800  1.0 1.0
   38    40    44    47   1.85350 -1.0 2.0
   38    40    44    47  -0.48700  1.0 3.0
   38    40    44    62   0.15800  1.0 1.0
   38    40    44    62   1.85350 -1.0 2.0
   38    40    44    62  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   39    42   -45    33   0.36750  1.0 3.0
   39    42    45    46   0.00000  1.0 1.0
   39    42    45    49   0.40000  1.0 3.0
   42    45    49    52   0.04300 -1.0 2.0
   42    45    49    68   0.04300 -1.0 2.0
   43    42    45    33   0.30150 -1.0 2.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    49   0.30150 -1.0 2.0
   45    33   -38    39   0.09700  1.0 1.0
   45    33   -38    39   0.15600 -1.0 2.0
   45    33   -38    39  -0.50800  1.0 3.0
   45    33    38    40   0.09850  1.0 1.0
   45    33    38    40   0.15250 -1.0 2.0
   45    33    38    40  -0.50650  1.0 3.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49    52    55   3.62500 -1.0 2.0
   45    49    68    64   3.62500 -1.0 2.0
   45    49    68    69   3.62500 -1.0 2.0
   46    45    49    52   0.00000  1.0 1.0
   46    45    49    68   0.00000  1.0 1.0
   49    52    55    56   3.62500 -1.0 2.0
   49    52    55    61   3.62500 -1.0 2.0
   52    49    68    64   3.62500 -1.0 2.0
   52    49    68    69   3.62500 -1.0 2.0
   52    55   -61    64   3.62500 -1.0 2.0
   52    55    61    66   3.62500 -1.0 2.0
   53    52    55    56   3.62500 -1.0 2.0
   53    52    55    61   3.62500 -1.0 2.0
   55    61    64    65   3.62500 -1.0 2.0
   55    61    64    68   3.62500 -1.0 2.0
   55    61    66    67   0.84100 -1.0 2.0
   56    55    61    64   3.62500 -1.0 2.0
   56    55    61    66   3.62500 -1.0 2.0
   61    64   -68    49   3.62500 -1.0 2.0
   61    64    68    69   3.62500 -1.0 2.0
   64    61    66    67   0.84100 -1.0 2.0
   65    64    68    49   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   68    49    52    53   3.62500 -1.0 2.0
   68    49   -52    55   3.62500 -1.0 2.0
   66    61    64    65   3.62500 -1.0 2.0
   66    61    64    68   3.62500 -1.0 2.0
   40    38    39    42  -1.93650  1.0 1.0
   40    38    39    42   2.17750 -1.0 2.0
   40    38    39    42  -0.40250  1.0 3.0
   40    44    47    48   3.62500 -1.0 2.0
   40    44    47    50   3.62500 -1.0 2.0
   40    44    62    57   3.62500 -1.0 2.0
   40    44    62    63   3.62500 -1.0 2.0
   41    40    44    47   0.56550  1.0 3.0
   41    40    44    62   0.56550  1.0 3.0
   44    47    50    51   3.62500 -1.0 2.0
   44    47    50    54   3.62500 -1.0 2.0
   47    44    62    57   3.62500 -1.0 2.0
   47    44    62    63   3.62500 -1.0 2.0
   47    50   -54    57   3.62500 -1.0 2.0
   47    50    54    59   3.62500 -1.0 2.0
   48    47    50    51   3.62500 -1.0 2.0
   48    47    50    54   3.62500 -1.0 2.0
   50    54    57    58   3.62500 -1.0 2.0
   50    54    57    62   3.62500 -1.0 2.0
   50    54    59    60   0.84100 -1.0 2.0
   51    50    54    57   3.62500 -1.0 2.0
   51    50    54    59   3.62500 -1.0 2.0
   54    57   -62    44   3.62500 -1.0 2.0
   54    57    62    63   3.62500 -1.0 2.0
   57    54    59    60   0.84100 -1.0 2.0
   58    57    62    44   3.62500 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   62    44    47    48   3.62500 -1.0 2.0
   62    44   -47    50   3.62500 -1.0 2.0
   59    54    57    58   3.62500 -1.0 2.0
   59    54    57    62   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
   33    39    38    40   1.10000 -1.0 2.0
   39    45    42    43  10.50000 -1.0 2.0
   52    68    49    45   4.00000 -1.0 2.0
   55    53    52    49   1.10000 -1.0 2.0
   61    56    55    52   1.10000 -1.0 2.0
   64    66    61    55   4.00000 -1.0 2.0
   68    65    64    61   1.10000 -1.0 2.0
   64    69    68    49   1.10000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   47    62    44    40   4.00000 -1.0 2.0
   50    48    47    44   1.10000 -1.0 2.0
   54    51    50    47   1.10000 -1.0 2.0
   57    59    54    50   4.00000 -1.0 2.0
   62    58    57    54   1.10000 -1.0 2.0
   57    63    62    44   1.10000 -1.0 2.0
END
