* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    118    192     347
    1     0 S   NP   _N1_     1    28.91191    97.80641   -21.67200
    2     1 S   H    _HN1     2     1.02949    61.82240     9.99249
    3     1 S   H    _H1_     3     1.02827    51.73723   157.86994
    4     1 S   H    _H2_     4     1.02798    98.74345   -96.20867
    5     1 S   CT   _CA1     5     1.50104   148.68957    93.17239
    6     5 S   HC   _HA1     6     1.09584   105.14085   108.52598
    7     5 S   CO3  _C1_     7     1.53828   112.55116   -11.46681
    8     7 S   O2Z  _O11     8     1.26348   115.00467   -42.38433
    9     7 S   O2Z  _O12     9     1.26336   115.05936   136.73253
   10     5 S   CT   _CB1    10     1.53145   107.36743  -133.69404
   11    10 S   HC   HB11    11     1.09826   109.34112   -51.33241
   12    10 S   HC   HB12    12     1.09801   110.52393    65.37057
   13    10 S   CT   _CG1    13     1.52857   112.37478  -172.33538
   14    13 S   HC   HG11    14     1.09477   110.23188   -69.55718
   15    13 S   HC   HG12    15     1.09666   109.71835    49.52032
   16    13 S   C    _CD1    16     1.51765   112.54222   170.64157
   17    16 S   O    _OE1    17     1.22716   123.24608    16.01747
   18    16 S   N    _N2_    18     1.38583   111.55591  -164.41631
   19    18 S   H    _HN2    19     1.01523   118.84037     2.35809
   20    18 S   CT1  _CA2    20     1.46260   123.98182   178.54545
   21    20 S   HC   _HA2    21     1.09724   109.25112     9.65561
   22    20 S   C    _C2_    22     1.53740   109.30221  -106.13968
   23    22 S   O    _O2_    23     1.23105   122.14658  -152.92938
   24    20 S   CT   _CB2    32     1.53468   110.95573   131.77598
   25    24 S   HC   HB21    33     1.09408   109.20240    55.38097
   26    24 S   HC   HB22    34     1.09472   110.40976   173.96405
   27    22 S   N    _N3_    24     1.38272   114.06581    34.51146
   28    27 S   H    _HN3    25     1.01520   119.55348    -3.35684
   29    24 S   S    _SG2    35     1.83209   110.90976   -66.79999
   30    27 S   CT   _CA3    26     1.45267   123.36983   177.32995
   31    30 S   HC   HA31    27     1.09544   107.50211   -65.47051
   32    30 S   HC   HA32    28     1.09554   108.03023    51.01593
   33    29 S   CT   _C12    36     1.83643   102.06981   157.92951
   34    33 S   OM   _O36    37     1.31828   110.16286   170.41226
   35    30 S   CO3  _C3_    29     1.52987   113.98670   173.02369
   36    35 S   O2Z  _O31    30     1.26393   116.06974    -0.27411
   37    35 S   O2Z  _O32    31     1.26420   114.42308   179.79826
   38    33 S   CM   _C13    38     1.52180   111.87948   -65.13994
   39    38 S   CA   _C15    39     1.48163   123.40726   -54.52124
   40    38 S   CMA  _C14    51     1.36114   111.06170   122.16624
   41    40 S   OM   _O34    52     1.26501   129.32202  -179.94065
   42    39 S   CA   _C16    40     1.40194   121.65444   -61.72177
   43    42 S   HA   _H8_    41     1.08661   120.82457    -2.90953
   44    40 S   OS   _O33    53     1.42998   108.25571    -0.58350
   45    42 S   CA   _C17    42     1.39727   120.72346   177.14878
   46    45 S   HA   _H9_    43     1.08606   119.76604  -179.30677
   47    33 S   CM   _C11    54     1.51074   112.74710    48.45779
   48    45 S   CA   _C18    44     1.39045   119.71249    -0.21029
   49    47 S   CM   _C10    55     1.34596   128.55758    57.92361
   50    49 S   HC   _H7_    56     1.08744   119.16555     2.08300
   51    48 S   CA   _C19    45     1.39084   120.63591     1.51220
   52    51 S   HA   _H10    46     1.08588   120.93297   179.38071
   53    48 S   OH   _O35    49     1.36603   118.32983  -178.07268
   54    53 S   HO   _H12    50     0.97630   108.47795   165.08524
   55    49 S   CA   _C9_    57     1.46868   125.50409  -178.97971
   56    39 S   CA   _C20    47     1.40522   119.82009   116.64595
   57    56 S   HA   _H11    48     1.08763   120.34891     1.96264
   58    55 S   CA   _C4_    58     1.40217   118.91033  -136.05367
   59    58 S   HA   _H3_    59     1.08784   120.49432     1.99400
   60    58 S   CA   _C5_    60     1.39630   120.54876  -178.45199
   61    60 S   HA   _H4_    61     1.08613   119.84292  -179.49642
   62    60 S   CA   _C6_    62     1.39123   119.62379     0.59774
   63    62 S   CA   _C7_    63     1.39229   120.71570     0.24309
   64    63 S   HA   _H5_    64     1.08593   121.04880   179.48036
   65    62 S   OH   _O37    67     1.36623   118.22402   180.00000
   66    65 S   HO   _H13    68     0.97240   108.48549   179.74056
   67    55 S   CA   _C8_    65     1.40264   122.04179    47.00973
   68    67 S   HA   _H6_    66     1.08777   120.71010    -1.21547
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  12   6   2   1   1  12  13   6   2   8   4   4   7   3   5   6
   8   3   5   3   2   1   9   1   1   8   4   7   3   6   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    47    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    56    40    41    44    47    49    50    55  
   38    39    40    44    47    49  
   36    37  
   37  
    0  
   39    42    43    45    51    56    57    40    41    44    47    49  
   42    43    45    46    48    51    52    56    57    40    41    44    47  
   41    44    47    49    42    56  
   44    47  
   43    45    46    48    51    56    57    53  
   45    46    48    56  
   47    49    50    55  
   46    48    51    52    56    53    54  
   48    51    53  
   49    50    55    58    67  
   51    52    56    57    53    54  
   50    55    58    59    60    63    67    68  
   55    58    67  
   52    56    57    53    54  
   56    57    53  
   54    56  
    0  
   58    59    60    61    62    63    64    67    68  
   57  
    0  
   59    60    61    62    63    67    68    65  
   60    61    62    67  
   61    62    63    64    67    65    66  
   62    63    65  
   63    64    67    68    65    66  
   64    67    68    65    66  
   67    68    65  
   66    67  
    0  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   2.8500   0.1400  -0.570000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700   0.000000   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   3.5500   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   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    47   317.000  1.510
   38    39   320.000  1.460
   38    40   465.000  1.376
   39    42   469.000  1.400
   39    56   469.000  1.400
   42    43   367.000  1.080
   42    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    53   450.000  1.364
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   53    54   553.000  0.945
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    47   440.000  1.360
   47    49   549.000  1.340
   49    50   340.000  1.080
   49    55   320.000  1.460
   55    58   469.000  1.400
   55    67   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   469.000  1.400
   62    65   450.000  1.364
   63    64   367.000  1.080
   63    67   469.000  1.400
   67    68   367.000  1.080
   65    66   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    47    75.00000  112.20000
   33    38    39    60.00000  124.00000
   33    38    40    70.00000  124.00000
   33    47    44    85.00000  112.85300
   33    47    49    70.00000  124.00000
   38    33    34    85.00000  110.90400
   38    39    42    60.00000  118.70000
   38    39    56    60.00000  118.70000
   38    40    41    65.00000  137.10300
   38    40    44    80.00000  120.01400
   39    42    43    35.00000  120.00000
   39    42    45    63.00000  120.00000
   39    56    51    63.00000  120.00000
   39    56    57    35.00000  120.00000
   42    45    46    35.00000  120.00000
   42    45    48    63.00000  120.00000
   45    42    43    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    53    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    53    54    35.00000  113.00000
   51    56    57    35.00000  120.00000
   56    39    42    63.00000  120.00000
   56    51    52    35.00000  120.00000
   53    48    51    70.00000  120.00000
   40    38    39    60.00000  123.66000
   40    44    47    90.00000  114.05000
   44    40    41    65.00000  121.00000
   44    47    49    80.00000  120.01400
   47    33    34    85.00000  110.90400
   47    33    38    70.00000  110.12100
   47    49    50    35.00000  120.00000
   47    49    55    60.00000  123.20500
   49    55    58    60.00000  120.93500
   49    55    67    60.00000  120.93500
   55    49    50    40.00000  117.26300
   55    58    59    35.00000  120.00000
   55    58    60    63.00000  120.00000
   55    67    63    63.00000  120.00000
   55    67    68    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    63.00000  120.00000
   60    62    65    70.00000  120.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    67    63.00000  120.00000
   62    65    66    35.00000  113.00000
   63    67    68    35.00000  120.00000
   67    55    58    63.00000  120.00000
   67    63    64    35.00000  120.00000
   65    62    63    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    47  -0.62250  1.0 1.0
   24    29    33    47  -0.38450 -1.0 2.0
   24    29    33    47   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    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    47    44   0.09700  1.0 1.0
   29    33    47    44   0.15600 -1.0 2.0
   29    33    47    44  -0.50800  1.0 3.0
   29    33    47    49   0.42700  1.0 1.0
   29    33    47    49  -0.70350 -1.0 2.0
   29    33    47    49  -0.43150  1.0 3.0
   33    38    39    42  -0.02500  1.0 1.0
   33    38    39    42  -0.32150 -1.0 2.0
   33    38    39    42  -0.01500  1.0 3.0
   33    38    39    56  -0.02500  1.0 1.0
   33    38    39    56  -0.32150 -1.0 2.0
   33    38    39    56  -0.01500  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    44   7.00000 -1.0 2.0
   33    47    49    50   7.00000 -1.0 2.0
   33    47    49    55   7.00000 -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    47    44   0.09700  1.0 1.0
   34    33    47    44   0.15600 -1.0 2.0
   34    33    47    44  -0.50800  1.0 3.0
   34    33    47    49   0.39000  1.0 1.0
   34    33    47    49  -0.05800 -1.0 2.0
   34    33    47    49  -0.55150  1.0 3.0
   38    33   -47    44   0.09700  1.0 1.0
   38    33   -47    44   0.15600 -1.0 2.0
   38    33   -47    44  -0.50800  1.0 3.0
   38    33    47    49  -0.28300  1.0 1.0
   38    33    47    49   0.26700 -1.0 2.0
   38    33    47    49  -0.63300  1.0 3.0
   38    39    42    43   3.62500 -1.0 2.0
   38    39    42    45   3.62500 -1.0 2.0
   38    39    56    51   3.62500 -1.0 2.0
   38    39    56    57   3.62500 -1.0 2.0
   38    40   -44    47   2.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   39    42    45    46   3.62500 -1.0 2.0
   39    42    45    48   3.62500 -1.0 2.0
   42    39    56    51   3.62500 -1.0 2.0
   42    39    56    57   3.62500 -1.0 2.0
   42    45   -48    51   3.62500 -1.0 2.0
   42    45    48    53   3.62500 -1.0 2.0
   43    42    45    46   3.62500 -1.0 2.0
   43    42    45    48   3.62500 -1.0 2.0
   45    48    51    52   3.62500 -1.0 2.0
   45    48    51    56   3.62500 -1.0 2.0
   45    48    53    54   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    53   3.62500 -1.0 2.0
   48    51   -56    39   3.62500 -1.0 2.0
   48    51    56    57   3.62500 -1.0 2.0
   51    48    53    54   0.84100 -1.0 2.0
   52    51    56    39   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   56    39    42    43   3.62500 -1.0 2.0
   56    39   -42    45   3.62500 -1.0 2.0
   53    48    51    52   3.62500 -1.0 2.0
   53    48    51    56   3.62500 -1.0 2.0
   40    38    39    42   0.15800  1.0 1.0
   40    38    39    42   1.85350 -1.0 2.0
   40    38    39    42  -0.48700  1.0 3.0
   40    38    39    56   0.15800  1.0 1.0
   40    38    39    56   1.85350 -1.0 2.0
   40    38    39    56  -0.48700  1.0 3.0
   40    44   -47    33   2.00000 -1.0 2.0
   40    44    47    49   2.00000 -1.0 2.0
   41    40    44    47   2.00000 -1.0 2.0
   44    47    49    50   7.00000 -1.0 2.0
   44    47    49    55   7.00000 -1.0 2.0
   47    33    38    39   0.09700  1.0 1.0
   47    33    38    39   0.15600 -1.0 2.0
   47    33    38    39  -0.50800  1.0 3.0
   47    33   -38    40  -0.28300  1.0 1.0
   47    33   -38    40   0.26700 -1.0 2.0
   47    33   -38    40  -0.63300  1.0 3.0
   47    49    55    58   0.15800  1.0 1.0
   47    49    55    58   1.85350 -1.0 2.0
   47    49    55    58  -0.48700  1.0 3.0
   47    49    55    67   0.15800  1.0 1.0
   47    49    55    67   1.85350 -1.0 2.0
   47    49    55    67  -0.48700  1.0 3.0
   49    55    58    59   3.62500 -1.0 2.0
   49    55    58    60   3.62500 -1.0 2.0
   49    55    67    63   3.62500 -1.0 2.0
   49    55    67    68   3.62500 -1.0 2.0
   50    49    55    58   0.56550  1.0 3.0
   50    49    55    67   0.56550  1.0 3.0
   55    58    60    61   3.62500 -1.0 2.0
   55    58    60    62   3.62500 -1.0 2.0
   58    55    67    63   3.62500 -1.0 2.0
   58    55    67    68   3.62500 -1.0 2.0
   58    60   -62    63   3.62500 -1.0 2.0
   58    60    62    65   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62    63    67   3.62500 -1.0 2.0
   60    62    65    66   0.84100 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    65   3.62500 -1.0 2.0
   62    63   -67    55   3.62500 -1.0 2.0
   62    63    67    68   3.62500 -1.0 2.0
   63    62    65    66   0.84100 -1.0 2.0
   64    63    67    55   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   67    55    58    59   3.62500 -1.0 2.0
   67    55   -58    60   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    67   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
   42    56    39    38   4.00000 -1.0 2.0
   45    43    42    39   1.10000 -1.0 2.0
   48    46    45    42   1.10000 -1.0 2.0
   51    53    48    45   4.00000 -1.0 2.0
   56    52    51    48   1.10000 -1.0 2.0
   51    57    56    39   1.10000 -1.0 2.0
   41    44    40    38   1.10000 -1.0 2.0
   33    44    47    49   1.10000 -1.0 2.0
   55    50    49    47   1.10000 -1.0 2.0
   58    67    55    49   4.00000 -1.0 2.0
   60    59    58    55   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   63    65    62    60   4.00000 -1.0 2.0
   67    64    63    62   1.10000 -1.0 2.0
   63    68    67    55   1.10000 -1.0 2.0
END
