* LIGAND DATABASE FILE (OPLS2005)
*
001      76    80    141    239     421
    1     0 S   NP   _N1_     1    28.24192    96.92524   -23.71213
    2     1 S   H    _HN1     2     1.02777   110.91226  -105.36153
    3     1 S   H    _H1_     3     1.02957    73.59071    -1.55872
    4     1 S   H    _H2_     4     1.02836    34.61820   163.18730
    5     1 S   CT   _CA1     5     1.50146   132.19240   101.34501
    6     5 S   HC   _HA1     6     1.09576   105.19141    91.58963
    7     5 S   CO3  _C1_     7     1.53768   112.32751   -28.55677
    8     7 S   O2Z  _O11     8     1.26368   114.98719   -44.21863
    9     7 S   O2Z  _O12     9     1.26230   114.92333   134.74365
   10     5 S   CT   _CB1    10     1.53083   107.40559  -150.53717
   11    10 S   HC   HB11    11     1.09831   109.27817   -50.39672
   12    10 S   HC   HB12    12     1.09815   110.45229    66.13523
   13    10 S   CT   _CG1    13     1.53040   112.71375  -171.45454
   14    13 S   HC   HG11    14     1.09590   110.53225   -65.51275
   15    13 S   HC   HG12    15     1.09660   109.88373    53.70878
   16    13 S   C    _CD1    16     1.51858   112.22455   174.03672
   17    16 S   O    _OE1    17     1.22768   123.25063     2.70675
   18    16 S   N    _N2_    18     1.38571   111.81118  -177.26835
   19    18 S   H    _HN2    19     1.01559   119.09483     3.71162
   20    18 S   CT1  _CA2    20     1.45783   122.74711   177.28834
   21    20 S   HC   _HA2    21     1.09734   108.90691    25.58981
   22    20 S   C    _C2_    22     1.53024   107.19890   -91.43263
   23    22 S   O    _O2_    23     1.22972   123.12182   -24.57513
   24    20 S   CT   _CB2    32     1.53176   112.42493   148.85161
   25    24 S   HC   HB21    33     1.09559   110.15959    54.89050
   26    24 S   HC   HB22    34     1.09352   109.42913   173.91562
   27    22 S   N    _N3_    24     1.38519   112.50860   158.20648
   28    27 S   H    _HN3    25     1.01660   120.33067    -2.12504
   29    24 S   S    _SG2    35     1.82274   111.55786   -66.06629
   30    27 S   CT   _CA3    26     1.45342   122.53840   177.94710
   31    30 S   HC   HA31    27     1.09568   107.80806   -55.91982
   32    30 S   HC   HA32    28     1.09560   107.61495    60.43604
   33    29 S   CT   _C22    36     1.86416   100.14700   176.91510
   34    33 S   HC   _H3_    37     1.09414   106.20099   -47.94910
   35    30 S   CO3  _C3_    29     1.52897   114.28592  -177.71749
   36    35 S   O2Z  _O31    30     1.26341   116.04868     2.06071
   37    35 S   O2Z  _O32    31     1.26437   114.41556  -177.94100
   38    33 S   CA   _C19    38     1.53572   110.80828    72.80429
   39    38 S   CA   _C20    39     1.43281   122.95557  -101.48003
   40    38 S   CA   _C18    65     1.42064   116.78690    79.28860
   41    39 S   CA   _C21    40     1.41445   125.05110    -0.88271
   42    41 S   HA   _H16    41     1.08774   119.66894    -0.48618
   43    40 S   CT   _C25    66     1.51723   119.42294    -2.23922
   44    43 S   HC   _H6_    67     1.09663   105.75694   -79.34664
   45    41 S   CA   _C12    42     1.40877   123.23317   179.08550
   46    43 S   CT   _C24    68     1.54737   114.06797    39.51810
   47    46 S   HC   _H5_    69     1.09958   107.17191  -149.23184
   48    43 S   OH   _O33    75     1.42966   112.26054   166.42552
   49    48 S   HO   _H17    76     0.97309   107.45530  -136.28751
   50    45 S   CA   _C11    43     1.39838   119.61778  -179.41583
   51    50 S   HA   _H12    44     1.08858   120.63493    -0.01978
   52    45 S   CA   _C13    57     1.41051   120.52025     0.47601
   53    33 S   CT   _C23    70     1.56480   115.08076  -165.49247
   54    53 S   OM   _O35    71     1.32618   110.27643    57.82495
   55    53 S   HC   _H4_    72     1.10445   104.36294  -176.53474
   56    46 S   OH   _O34    73     1.43902   108.85938    97.50183
   57    56 S   HO   _H18    74     0.97377   106.12177  -175.80166
   58    50 S   CA   _C10    45     1.39097   120.99973   179.90109
   59    58 S   HA   _H11    46     1.08832   118.51471  -179.96044
   60    52 S   CA   _C14    58     1.41486   116.21350     0.10835
   61    60 S   HA   _H13    59     1.08875   119.42489   179.85196
   62    58 S   CA   _C8_    47     1.39630   120.74848     0.01978
   63    39 S   CA   _C15    60     1.41042   118.64457   179.05457
   64    62 S   CA   _C9_    48     1.40547   119.48635   180.00000
   65    64 S   HA   _H10    49     1.08855   120.51918     0.02798
   66    63 S   CA   _C16    61     1.40060   120.00914     0.53995
   67    66 S   HA   _H14    62     1.08862   120.53170  -179.63738
   68    64 S   CA   _C4_    50     1.39141   121.02019   180.00000
   69    68 S   HA   _H7_    51     1.08584   120.18140  -180.00000
   70    66 S   CA   _C17    63     1.39132   121.23473     0.21761
   71    70 S   HA   _H15    64     1.08679   118.59607  -179.40818
   72    68 S   CA   _C5_    52     1.38618   119.54619    -0.01978
   73    72 S   HA   _H8_    53     1.08629   120.10456  -179.97202
   74    72 S   CA   _C6_    54     1.39782   119.97977     0.01978
   75    74 S   HA   _H9_    55     1.08676   116.68101  -179.94766
   76    62 S   CA   _C7_    56     1.41897   119.85386    -0.01978
  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  14  14  10   4  13   7  11   9   6   4
   1   8   4  11   4   2   1   1   1   7   3   8   3   8   5   7
   4   3   2   6   3   1   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    53    54    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    63    70    40    43    46    47    53    54    55    56  
   38    39    40    46    53    54    55  
   36    37  
   37  
    0  
   39    41    42    45    60    63    66    70    71    40    43    44    46    53    54    55    48  
   41    42    45    50    52    60    61    63    66    67    70    40    43    53  
   43    44    46    47    53    56    48    49    41    63    66    67    70    71  
   42    45    50    51    58    76    52    60    63    66  
   45    50    52    63  
   44    46    47    53    54    55    56    57    48    49    66    70    71  
   46    47    53    56    48    49    70  
   50    51    58    59    62    74    76    52    60    61    63  
   47    53    54    55    56    57    48    49    70  
   53    54    55    56    57    48  
   49    53    56    70  
    0  
   51    58    59    62    64    76    52    60  
   58    59    62    52  
   60    61    63    66    58    62    64    72    74    75    76  
   54    55    56    57  
   55    56  
   56  
   57  
    0  
   59    62    64    65    68    74    76  
   62    64    76  
   61    63    66    67    70    62    74    76  
   63    66    76  
   64    65    68    69    72    74    75    76  
   66    67    70    71    76  
   65    68    69    72    73    74    76  
   68    69    72    76  
   67    70    71  
   70    71  
   69    72    73    74    75    76  
   72    73    74  
   71  
    0  
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   55   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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    53   268.000  1.529
   38    39   469.000  1.400
   38    40   469.000  1.400
   39    41   469.000  1.400
   39    63   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    50   469.000  1.400
   45    52   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    64   469.000  1.400
   62    76   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   367.000  1.080
   68    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    52   469.000  1.400
   52    60   469.000  1.400
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    66   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   367.000  1.080
   70    40   469.000  1.400
   40    43   317.000  1.510
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    56   320.000  1.410
   53    54   570.000  1.307
   53    55   340.000  1.090
   56    57   553.000  0.945
   48    49   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    53    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    40    70.00000  120.00000
   33    53    46    58.35000  112.70000
   33    53    54    50.00000  109.50000
   33    53    55    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    41    63.00000  120.00000
   38    39    63    63.00000  120.00000
   38    40    70    63.00000  120.00000
   38    40    43    70.00000  120.00000
   39    41    42    35.00000  120.00000
   39    41    45    63.00000  120.00000
   39    63    60    63.00000  120.00000
   39    63    66    63.00000  120.00000
   41    45    50    63.00000  120.00000
   41    45    52    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    58    63.00000  120.00000
   45    52    76    63.00000  120.00000
   45    52    60    63.00000  120.00000
   50    58    59    35.00000  120.00000
   50    58    62    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    62    64    63.00000  120.00000
   58    62    76    63.00000  120.00000
   62    58    59    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    68    63.00000  120.00000
   62    76    74    63.00000  120.00000
   62    76    52    63.00000  120.00000
   64    68    69    35.00000  120.00000
   64    68    72    63.00000  120.00000
   68    64    65    35.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    74    63.00000  120.00000
   72    68    69    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    52    63.00000  120.00000
   76    62    64    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    52    60    63.00000  120.00000
   52    45    50    63.00000  120.00000
   52    60    61    35.00000  120.00000
   52    60    63    63.00000  120.00000
   60    63    66    63.00000  120.00000
   63    39    41    63.00000  120.00000
   63    60    61    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    70    63.00000  120.00000
   66    70    71    35.00000  120.00000
   66    70    40    63.00000  120.00000
   70    66    67    35.00000  120.00000
   70    40    43    70.00000  120.00000
   40    38    39    63.00000  120.00000
   40    70    71    35.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    46    70.00000  112.17500
   40    43    48    90.00000  112.51600
   43    46    47    37.50000  110.70000
   43    46    53    58.35000  112.70000
   43    46    56    50.00000  109.50000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    53    54    50.00000  109.50000
   46    53    55    37.50000  110.70000
   46    56    57    55.00000  108.50000
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.17500
   53    46    47    37.50000  110.70000
   55    53    54    45.00000  125.66300
   56    46    47    35.00000  109.50000
   56    46    53    50.00000  109.50000
   48    43    44    35.00000  109.50000
   48    43    46    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    53    46   0.44750  1.0 1.0
   29    33    53    46  -0.17800 -1.0 2.0
   29    33    53    46   0.20200  1.0 3.0
   29    33    53    54   0.56750  1.0 1.0
   29    33    53    54  -0.07550 -1.0 2.0
   29    33    53    54   0.20000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    39    63   3.62500 -1.0 2.0
   33    38    40    70   3.62500 -1.0 2.0
   33    38    40    43   3.62500 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    53    46   0.15000  1.0 3.0
   34    33    53    54   0.23400  1.0 3.0
   34    33    53    55   0.15000  1.0 3.0
   38    33    53    46  -0.03700  1.0 1.0
   38    33    53    46   0.37200 -1.0 2.0
   38    33    53    46  -0.47300  1.0 3.0
   38    33    53    54  -0.64350  1.0 1.0
   38    33    53    54  -0.04200 -1.0 2.0
   38    33    53    54   0.19800  1.0 3.0
   38    33    53    55   0.43200  1.0 3.0
   38    39    41    42   3.62500 -1.0 2.0
   38    39    41    45   3.62500 -1.0 2.0
   38    39    63    60   3.62500 -1.0 2.0
   38    39    63    66   3.62500 -1.0 2.0
   38    40    43    44   0.00000  1.0 1.0
   38    40   -43    46   0.04150 -1.0 2.0
   38    40    43    48   0.14300 -1.0 2.0
   38    40    43    48   0.00300  1.0 3.0
   39    38    40    70   3.62500 -1.0 2.0
   39    38    40    43   3.62500 -1.0 2.0
   39    41    45    50   3.62500 -1.0 2.0
   39    41    45    52   3.62500 -1.0 2.0
   39    63    66    67   3.62500 -1.0 2.0
   39    63   -66    70   3.62500 -1.0 2.0
   41    39    63    60   3.62500 -1.0 2.0
   41    39    63    66   3.62500 -1.0 2.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    58   3.62500 -1.0 2.0
   41    45    52    76   3.62500 -1.0 2.0
   41    45   -52    60   3.62500 -1.0 2.0
   42    41    45    50   3.62500 -1.0 2.0
   42    41    45    52   3.62500 -1.0 2.0
   45    50    58    59   3.62500 -1.0 2.0
   45    50    58    62   3.62500 -1.0 2.0
   45    52    60    61   3.62500 -1.0 2.0
   45    52    60    63   3.62500 -1.0 2.0
   50    45    52    76   3.62500 -1.0 2.0
   50    45    52    60   3.62500 -1.0 2.0
   50    58    62    64   3.62500 -1.0 2.0
   50    58   -62    76   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   51    50    58    62   3.62500 -1.0 2.0
   58    62    64    65   3.62500 -1.0 2.0
   58    62    64    68   3.62500 -1.0 2.0
   58    62    76    74   3.62500 -1.0 2.0
   58    62    76    52   3.62500 -1.0 2.0
   59    58    62    64   3.62500 -1.0 2.0
   59    58    62    76   3.62500 -1.0 2.0
   62    64    68    69   3.62500 -1.0 2.0
   62    64    68    72   3.62500 -1.0 2.0
   62    76   -52    45   3.62500 -1.0 2.0
   62    76    52    60   3.62500 -1.0 2.0
   64    62    76    74   3.62500 -1.0 2.0
   64    62    76    52   3.62500 -1.0 2.0
   64    68    72    73   3.62500 -1.0 2.0
   64    68   -72    74   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    72   3.62500 -1.0 2.0
   68    72    74    75   3.62500 -1.0 2.0
   68    72    74    76   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    74   3.62500 -1.0 2.0
   72    74   -76    62   3.62500 -1.0 2.0
   72    74    76    52   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    52    45   3.62500 -1.0 2.0
   74    76    52    60   3.62500 -1.0 2.0
   75    74    76    62   3.62500 -1.0 2.0
   75    74    76    52   3.62500 -1.0 2.0
   76    62    64    65   3.62500 -1.0 2.0
   76    62   -64    68   3.62500 -1.0 2.0
   76    52    60    61   3.62500 -1.0 2.0
   76    52    60    63   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    45   -50    58   3.62500 -1.0 2.0
   52    60   -63    39   3.62500 -1.0 2.0
   52    60    63    66   3.62500 -1.0 2.0
   60    63    66    67   3.62500 -1.0 2.0
   60    63    66    70   3.62500 -1.0 2.0
   61    60    63    39   3.62500 -1.0 2.0
   61    60    63    66   3.62500 -1.0 2.0
   63    39    41    42   3.62500 -1.0 2.0
   63    39   -41    45   3.62500 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   63    66    70    40   3.62500 -1.0 2.0
   66    70   -40    38   3.62500 -1.0 2.0
   66    70    40    43   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    40   3.62500 -1.0 2.0
   70    40    43    44   0.00000  1.0 1.0
   70    40    43    46   0.04150 -1.0 2.0
   70    40    43    48   0.14300 -1.0 2.0
   70    40    43    48   0.00300  1.0 3.0
   71    70    40    38   3.62500 -1.0 2.0
   71    70    40    43   3.62500 -1.0 2.0
   40    38    39    41   3.62500 -1.0 2.0
   40    38   -39    63   3.62500 -1.0 2.0
   40    43    46    47   0.43200  1.0 3.0
   40    43    46    53  -0.03700  1.0 1.0
   40    43    46    53   0.37200 -1.0 2.0
   40    43    46    53  -0.47300  1.0 3.0
   40    43    46    56   1.13150  1.0 1.0
   40    43    46    56  -1.01400 -1.0 2.0
   40    43    48    49   0.31900  1.0 1.0
   40    43    48    49  -0.11800 -1.0 2.0
   40    43    48    49   0.38750  1.0 3.0
   43    46   -53    33   0.56750  1.0 1.0
   43    46   -53    33  -0.07550 -1.0 2.0
   43    46   -53    33   0.20000  1.0 3.0
   43    46    53    54   0.62750  1.0 1.0
   43    46    53    54  -0.30950 -1.0 2.0
   43    46    53    54   0.27300  1.0 3.0
   43    46    53    55   0.15000  1.0 3.0
   43    46    56    57  -0.11600  1.0 1.0
   43    46    56    57  -0.09450 -1.0 2.0
   43    46    56    57   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    53   0.15000  1.0 3.0
   44    43    46    56   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   47    46    53    33   0.15000  1.0 3.0
   47    46    53    54   0.23400  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    56    57   0.19450  1.0 3.0
   53    33    38    39   0.04150 -1.0 2.0
   53    33   -38    40   0.04150 -1.0 2.0
   53    46    56    57  -0.11600  1.0 1.0
   53    46    56    57  -0.09450 -1.0 2.0
   53    46    56    57   0.21250  1.0 3.0
   56    46    53    33   0.86500  1.0 1.0
   56    46    53    33  -0.17500 -1.0 2.0
   56    46    53    33   0.20800  1.0 3.0
   56    46    53    54   3.69350  1.0 1.0
   56    46    53    54  -1.82950 -1.0 2.0
   56    46    53    55   0.23400  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    53   0.86500  1.0 1.0
   48    43    46    53  -0.17500 -1.0 2.0
   48    43    46    53   0.20800  1.0 3.0
   48    43    46    56   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
   39    40    38    33   4.00000 -1.0 2.0
   41    63    39    38   4.00000 -1.0 2.0
   45    42    41    39   1.10000 -1.0 2.0
   50    52    45    41   4.00000 -1.0 2.0
   58    51    50    45   1.10000 -1.0 2.0
   62    59    58    50   1.10000 -1.0 2.0
   64    76    62    58   4.00000 -1.0 2.0
   68    65    64    62   1.10000 -1.0 2.0
   72    69    68    64   1.10000 -1.0 2.0
   74    73    72    68   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    52    76    62   4.00000 -1.0 2.0
   76    60    52    45   4.00000 -1.0 2.0
   63    61    60    52   1.10000 -1.0 2.0
   60    66    63    39   4.00000 -1.0 2.0
   70    67    66    63   1.10000 -1.0 2.0
   40    71    70    66   1.10000 -1.0 2.0
   70    43    40    38   4.00000 -1.0 2.0
END
