* LIGAND DATABASE FILE (OPLS2005)
*
001      76    80    141    239     421
    1     0 S   NP   _N1_     1    30.02730   100.11887   -19.74359
    2     1 S   H    _HN1     2     1.02793    95.02983  -109.53948
    3     1 S   H    _H1_     3     1.02854    46.10737     1.01027
    4     1 S   H    _H2_     4     1.02948    69.95701   143.37887
    5     1 S   CT   _CA1     5     1.50535   150.61378    47.87417
    6     5 S   HC   _HA1     6     1.09678   104.51170   147.65929
    7     5 S   CO3  _C1_     7     1.54364   110.77485    31.87102
    8     7 S   O2Z  _O11     8     1.25997   116.71119  -114.80834
    9     7 S   O2Z  _O12     9     1.26584   113.75830    63.85636
   10     5 S   CT   _CB1    10     1.53117   106.94274   -96.60757
   11    10 S   HC   HB11    11     1.09835   109.62268   -44.75170
   12    10 S   HC   HB12    12     1.09769   110.42158    71.90415
   13    10 S   CT   _CG1    13     1.52947   112.36830  -165.40453
   14    13 S   HC   HG11    14     1.09475   110.76280   -62.72939
   15    13 S   HC   HG12    15     1.09626   109.77572    56.51354
   16    13 S   C    _CD1    16     1.51734   112.45181   176.39783
   17    16 S   O    _OE1    17     1.22732   123.44403    -2.78902
   18    16 S   N    _N2_    18     1.38531   111.56940   177.86852
   19    18 S   H    _HN2    19     1.01574   119.02828    -0.45327
   20    18 S   CT1  _CA2    20     1.46057   122.89230   178.95245
   21    20 S   HC   _HA2    21     1.09696   108.60133    30.98140
   22    20 S   C    _C2_    22     1.53150   109.80329   -86.01830
   23    22 S   O    _O2_    23     1.23136   121.04652   157.06802
   24    20 S   CT   _CB2    32     1.53183   111.57480   153.96243
   25    24 S   HC   HB21    33     1.09176   109.36772    59.81575
   26    24 S   HC   HB22    34     1.09540   110.50926   177.50409
   27    22 S   N    _N3_    24     1.38255   114.50056   -30.54436
   28    27 S   H    _HN3    25     1.01568   119.37024     7.25063
   29    24 S   S    _SG2    35     1.82509   111.41610   -62.57858
   30    27 S   CT   _CA3    26     1.45271   122.90559  -175.69120
   31    30 S   HC   HA31    27     1.09541   108.08344   -56.08006
   32    30 S   HC   HA32    28     1.09569   107.46000    60.15001
   33    29 S   CT   _C22    36     1.88469   100.29023   145.86410
   34    33 S   HC   _H3_    37     1.08651   104.60838    15.87857
   35    30 S   CO3  _C3_    29     1.52788   113.55060  -177.28070
   36    35 S   O2Z  _O31    30     1.26388   115.59254    34.15943
   37    35 S   O2Z  _O32    31     1.26348   114.87452  -145.86904
   38    33 S   CA   _C21    38     1.54680   106.81673  -103.55504
   39    33 S   CT   _C23    70     1.56388   115.77199   132.14609
   40    39 S   OM   _O35    71     1.32646   110.25217   -55.42868
   41    39 S   HC   _H4_    72     1.10315   104.47919   178.20747
   42    38 S   CA   _C16    39     1.45560   121.67526    80.18510
   43    42 S   CA   _C15    40     1.44026   125.77949    31.96881
   44    42 S   CA   _C17    60     1.41892   117.27002  -148.21901
   45    43 S   CA   _C14    41     1.41963   122.12602    21.26056
   46    45 S   HA   _H14    42     1.08840   120.45440     7.44903
   47    44 S   CA   _C18    61     1.41509   117.59067   -15.04685
   48    47 S   HA   _H15    62     1.08658   121.59833  -175.02114
   49    45 S   CA   _C13    43     1.39331   123.52029  -175.25657
   50    49 S   HA   _H13    44     1.08545   120.27275   178.42592
   51    47 S   CA   _C19    63     1.38929   123.03337     2.93105
   52    51 S   HA   _H16    64     1.08728   119.12246  -176.61181
   53    49 S   CA   _C12    45     1.37614   119.12221    -2.09816
   54    53 S   HA   _H12    46     1.08561   120.66273   179.41383
   55    38 S   CA   _C20    65     1.41461   116.20669   -87.30654
   56    53 S   CA   _C11    47     1.39232   119.04024    -3.45853
   57    56 S   HA   _H11    48     1.08671   115.45451  -176.06513
   58    55 S   CT   _C25    66     1.51341   123.61453   -24.48312
   59    58 S   HC   _H6_    67     1.09771   108.93219   147.01033
   60    43 S   CA   _C10    49     1.41963   120.99736  -162.90408
   61    58 S   CT   _C24    68     1.53365   115.63896    23.73786
   62    61 S   HC   _H5_    69     1.09906   109.12895  -158.66222
   63    58 S   OH   _O33    75     1.43152   106.11037   -97.42640
   64    63 S   HO   _H17    76     0.97214   107.39109  -175.73952
   65    60 S   CA   _C8_    50     1.42778   119.61146    -7.50768
   66    61 S   OH   _O34    73     1.42912   108.04510    86.55677
   67    66 S   HO   _H18    74     0.97432   105.83231  -159.52684
   68    65 S   CA   _C9_    51     1.42383   122.67245   178.30338
   69    68 S   HA   _H10    52     1.08685   121.41621    -3.65629
   70    68 S   CA   _C4_    53     1.39262   123.08909   176.24443
   71    70 S   HA   _H7_    54     1.08554   120.24141  -179.91607
   72    70 S   CA   _C5_    55     1.37635   119.17709    -0.17017
   73    72 S   HA   _H8_    56     1.08587   120.54766   180.00000
   74    72 S   CA   _C6_    57     1.39371   119.27839     0.95777
   75    74 S   HA   _H9_    58     1.08697   115.24789   177.97088
   76    65 S   CA   _C7_    59     1.41789   119.40567    -4.29149
  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
  14   7   2   1   1  17  11   5   4  15  14  13   8   4   8   4
   6   3   7   2   5   3   7   5   2   7   5   6   5   3   2   1
   8   1   1   7   4   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    55    61    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    51    55    58    61    62    39    40    41    66  
   38    42    55    61    39    40    41  
   36    37  
   37  
    0  
   42    43    45    60    76    44    47    51    52    55    58    59    61    39    40    41    63  
   40    41    66    67    63    42    55    58    59    61    62  
   41    66    58    61    62  
   66    58    61    62  
   43    45    46    49    56    60    65    74    76    44    47    48    51    55    58  
   45    46    49    50    53    56    57    60    65    68    76    44    47    55  
   47    48    51    52    55    45    60    65    68    72    74    75    76  
   46    49    50    53    54    56    60    65  
   49    50    53    60  
   48    51    52    55    58    65    74    76  
   51    52    55    76  
   50    53    54    56    57    60  
   53    54    56  
   52    55    58    59    61    63    76  
   55    58  
   54    56    57    60    65  
   56    57    60  
   58    59    61    62    66    63    64  
   57    60    65    68    76  
   60    65  
   59    61    62    66    67    63    64  
   61    62    66    63    64  
   65    68    69    70    74    76  
   62    66    67    63    64  
   66    67    63  
   64    66  
    0  
   68    69    70    71    72    74    75    76  
   67  
    0  
   69    70    71    72    73    74    76  
   70    71    72    76  
   71    72    73    74    75    76  
   72    73    74  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   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   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   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
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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    42   469.000  1.400
   38    55   469.000  1.400
   42    43   469.000  1.400
   42    44   469.000  1.400
   43    45   469.000  1.400
   43    60   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    65   469.000  1.400
   65    68   469.000  1.400
   65    76   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    44   469.000  1.400
   44    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    58   317.000  1.510
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    63   320.000  1.410
   61    62   340.000  1.090
   61    39   268.000  1.529
   61    66   320.000  1.410
   39    40   570.000  1.307
   39    41   340.000  1.090
   66    67   553.000  0.945
   63    64   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  111.63000
   33    38    42    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    39    61    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    63.00000  120.00000
   38    42    44    63.00000  120.00000
   38    55    51    63.00000  120.00000
   38    55    58    70.00000  120.00000
   42    43    45    63.00000  120.00000
   42    43    60    63.00000  120.00000
   42    44    76    63.00000  120.00000
   42    44    47    63.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    49    63.00000  120.00000
   43    60    56    63.00000  120.00000
   43    60    65    63.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    53    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    56    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    60    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    60    65    63.00000  120.00000
   60    43    45    63.00000  120.00000
   60    56    57    35.00000  120.00000
   60    65    68    63.00000  120.00000
   60    65    76    63.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    70    63.00000  120.00000
   65    76    74    63.00000  120.00000
   65    76    44    63.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    44    63.00000  120.00000
   76    65    68    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    44    47    63.00000  120.00000
   44    42    43    63.00000  120.00000
   44    47    48    35.00000  120.00000
   44    47    51    63.00000  120.00000
   47    51    52    35.00000  120.00000
   47    51    55    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    55    58    70.00000  120.00000
   55    38    42    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    61    70.00000  112.17500
   55    58    63    90.00000  112.51600
   58    61    62    37.50000  110.70000
   58    61    39    58.35000  112.70000
   58    61    66    50.00000  109.50000
   58    63    64    55.00000  108.50000
   61    58    59    37.50000  110.70000
   61    39    40    50.00000  109.50000
   61    39    41    37.50000  110.70000
   61    66    67    55.00000  108.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    61    62    37.50000  110.70000
   41    39    40    45.00000  125.66300
   66    61    62    35.00000  109.50000
   66    61    39    50.00000  109.50000
   63    58    59    35.00000  109.50000
   63    58    61    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    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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    39    61   0.44750  1.0 1.0
   29    33    39    61  -0.17800 -1.0 2.0
   29    33    39    61   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    44   3.62500 -1.0 2.0
   33    38    55    51   3.62500 -1.0 2.0
   33    38    55    58   3.62500 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    39    61   0.15000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    61  -0.03700  1.0 1.0
   38    33    39    61   0.37200 -1.0 2.0
   38    33    39    61  -0.47300  1.0 3.0
   38    33    39    40  -0.64350  1.0 1.0
   38    33    39    40  -0.04200 -1.0 2.0
   38    33    39    40   0.19800  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    42    43    45   3.62500 -1.0 2.0
   38    42    43    60   3.62500 -1.0 2.0
   38    42    44    76   3.62500 -1.0 2.0
   38    42    44    47   3.62500 -1.0 2.0
   38    55    58    59   0.00000  1.0 1.0
   38    55   -58    61   0.04150 -1.0 2.0
   38    55    58    63   0.14300 -1.0 2.0
   38    55    58    63   0.00300  1.0 3.0
   42    38    55    51   3.62500 -1.0 2.0
   42    38    55    58   3.62500 -1.0 2.0
   42    43    45    46   3.62500 -1.0 2.0
   42    43    45    49   3.62500 -1.0 2.0
   42    43    60    56   3.62500 -1.0 2.0
   42    43    60    65   3.62500 -1.0 2.0
   42    44    47    48   3.62500 -1.0 2.0
   42    44   -47    51   3.62500 -1.0 2.0
   43    42    44    76   3.62500 -1.0 2.0
   43    42    44    47   3.62500 -1.0 2.0
   43    45    49    50   3.62500 -1.0 2.0
   43    45    49    53   3.62500 -1.0 2.0
   43    60    65    68   3.62500 -1.0 2.0
   43    60   -65    76   3.62500 -1.0 2.0
   45    43    60    56   3.62500 -1.0 2.0
   45    43    60    65   3.62500 -1.0 2.0
   45    49    53    54   3.62500 -1.0 2.0
   45    49   -53    56   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   49    53    56    57   3.62500 -1.0 2.0
   49    53    56    60   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   53    56   -60    43   3.62500 -1.0 2.0
   53    56    60    65   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    60   3.62500 -1.0 2.0
   56    60    65    68   3.62500 -1.0 2.0
   56    60    65    76   3.62500 -1.0 2.0
   57    56    60    43   3.62500 -1.0 2.0
   57    56    60    65   3.62500 -1.0 2.0
   60    43    45    46   3.62500 -1.0 2.0
   60    43   -45    49   3.62500 -1.0 2.0
   60    65    68    69   3.62500 -1.0 2.0
   60    65    68    70   3.62500 -1.0 2.0
   60    65    76    74   3.62500 -1.0 2.0
   60    65    76    44   3.62500 -1.0 2.0
   65    68    70    71   3.62500 -1.0 2.0
   65    68    70    72   3.62500 -1.0 2.0
   65    76   -44    42   3.62500 -1.0 2.0
   65    76    44    47   3.62500 -1.0 2.0
   68    65    76    74   3.62500 -1.0 2.0
   68    65    76    44   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70   -72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74   -76    65   3.62500 -1.0 2.0
   72    74    76    44   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    44    42   3.62500 -1.0 2.0
   74    76    44    47   3.62500 -1.0 2.0
   75    74    76    65   3.62500 -1.0 2.0
   75    74    76    44   3.62500 -1.0 2.0
   76    65    68    69   3.62500 -1.0 2.0
   76    65   -68    70   3.62500 -1.0 2.0
   76    44    47    48   3.62500 -1.0 2.0
   76    44    47    51   3.62500 -1.0 2.0
   44    42    43    45   3.62500 -1.0 2.0
   44    42   -43    60   3.62500 -1.0 2.0
   44    47    51    52   3.62500 -1.0 2.0
   44    47    51    55   3.62500 -1.0 2.0
   47    51   -55    38   3.62500 -1.0 2.0
   47    51    55    58   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    55   3.62500 -1.0 2.0
   51    55    58    59   0.00000  1.0 1.0
   51    55    58    61   0.04150 -1.0 2.0
   51    55    58    63   0.14300 -1.0 2.0
   51    55    58    63   0.00300  1.0 3.0
   52    51    55    38   3.62500 -1.0 2.0
   52    51    55    58   3.62500 -1.0 2.0
   55    38    42    43   3.62500 -1.0 2.0
   55    38   -42    44   3.62500 -1.0 2.0
   55    58    61    62   0.43200  1.0 3.0
   55    58    61    39  -0.03700  1.0 1.0
   55    58    61    39   0.37200 -1.0 2.0
   55    58    61    39  -0.47300  1.0 3.0
   55    58    61    66   1.13150  1.0 1.0
   55    58    61    66  -1.01400 -1.0 2.0
   55    58    63    64   0.31900  1.0 1.0
   55    58    63    64  -0.11800 -1.0 2.0
   55    58    63    64   0.38750  1.0 3.0
   58    61   -39    33   0.56750  1.0 1.0
   58    61   -39    33  -0.07550 -1.0 2.0
   58    61   -39    33   0.20000  1.0 3.0
   58    61    39    40   0.62750  1.0 1.0
   58    61    39    40  -0.30950 -1.0 2.0
   58    61    39    40   0.27300  1.0 3.0
   58    61    39    41   0.15000  1.0 3.0
   58    61    66    67  -0.11600  1.0 1.0
   58    61    66    67  -0.09450 -1.0 2.0
   58    61    66    67   0.21250  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    39   0.15000  1.0 3.0
   59    58    61    66   0.23400  1.0 3.0
   59    58    63    64   0.19450  1.0 3.0
   61    58    63    64  -0.11600  1.0 1.0
   61    58    63    64  -0.09450 -1.0 2.0
   61    58    63    64   0.21250  1.0 3.0
   62    61    39    33   0.15000  1.0 3.0
   62    61    39    40   0.23400  1.0 3.0
   62    61    39    41   0.15000  1.0 3.0
   62    61    66    67   0.19450  1.0 3.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33   -38    55   0.04150 -1.0 2.0
   39    61    66    67  -0.11600  1.0 1.0
   39    61    66    67  -0.09450 -1.0 2.0
   39    61    66    67   0.21250  1.0 3.0
   66    61    39    33   0.86500  1.0 1.0
   66    61    39    33  -0.17500 -1.0 2.0
   66    61    39    33   0.20800  1.0 3.0
   66    61    39    40   3.69350  1.0 1.0
   66    61    39    40  -1.82950 -1.0 2.0
   66    61    39    41   0.23400  1.0 3.0
   63    58    61    62   0.23400  1.0 3.0
   63    58    61    39   0.86500  1.0 1.0
   63    58    61    39  -0.17500 -1.0 2.0
   63    58    61    39   0.20800  1.0 3.0
   63    58    61    66   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
   36    30    35    37  10.50000 -1.0 2.0
   42    55    38    33   4.00000 -1.0 2.0
   43    44    42    38   4.00000 -1.0 2.0
   45    60    43    42   4.00000 -1.0 2.0
   49    46    45    43   1.10000 -1.0 2.0
   53    50    49    45   1.10000 -1.0 2.0
   56    54    53    49   1.10000 -1.0 2.0
   60    57    56    53   1.10000 -1.0 2.0
   56    65    60    43   4.00000 -1.0 2.0
   68    76    65    60   4.00000 -1.0 2.0
   70    69    68    65   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    44    76    65   4.00000 -1.0 2.0
   76    47    44    42   4.00000 -1.0 2.0
   51    48    47    44   1.10000 -1.0 2.0
   55    52    51    47   1.10000 -1.0 2.0
   51    58    55    38   4.00000 -1.0 2.0
END
