* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    138    225     406
    1     0 S   NP   _N1_     1    30.40114    93.92404   -15.48002
    2     1 S   H    _HN1     2     1.02751    68.02477   -40.72847
    3     1 S   H    _H1_     3     1.03087   143.43423    50.63096
    4     1 S   H    _H2_     4     1.02826    47.34963   104.59016
    5     1 S   CT   _CA1     5     1.50301   103.57364  -149.67637
    6     5 S   HC   _HA1     6     1.09566   105.09486     9.39331
    7     5 S   CO3  _C1_     7     1.53920   112.40986  -110.55120
    8     7 S   O2Z  _O11     8     1.26399   115.10169   -36.98908
    9     7 S   O2Z  _O12     9     1.26252   114.94595   141.74402
   10     5 S   CT   _CB1    10     1.53013   107.47073   127.30260
   11    10 S   HC   HB11    11     1.09845   109.70288   -47.16234
   12    10 S   HC   HB12    12     1.09575   110.11011    68.97787
   13    10 S   CT   _CG1    13     1.53098   113.23821  -168.26525
   14    13 S   HC   HG11    14     1.09535   111.34915   -60.38296
   15    13 S   HC   HG12    15     1.09573   110.73807    59.05845
   16    13 S   C    _CD1    16     1.51568   109.86527   178.78630
   17    16 S   O    _OE1    17     1.22812   121.94715   -96.18746
   18    16 S   N    _N2_    18     1.38165   112.60375    81.56731
   19    18 S   H    _HN2    19     1.01776   119.04374     5.27719
   20    18 S   CT1  _CA2    20     1.45779   123.68294  -174.69515
   21    20 S   HC   _HA2    21     1.09741   108.48340    26.24984
   22    20 S   C    _C2_    22     1.52817   107.72707   -91.11527
   23    22 S   O    _O2_    23     1.22952   123.15899   -26.06272
   24    20 S   CT   _CB2    32     1.53541   111.72771   148.57414
   25    24 S   HC   HB21    33     1.09415   110.11797    62.60658
   26    24 S   HC   HB22    34     1.09545   110.27412  -179.77706
   27    22 S   N    _N3_    24     1.38535   112.47423   156.50617
   28    27 S   H    _HN3    25     1.01643   120.36113    -1.79929
   29    24 S   S    _SG2    35     1.83417   110.49751   -61.04469
   30    27 S   CT   _CA3    26     1.45353   122.46867   178.73205
   31    30 S   HC   HA31    27     1.09564   107.71630   -58.35275
   32    30 S   HC   HA32    28     1.09566   107.69533    57.97178
   33    29 S   CT   _C23    36     1.87377   102.60707   134.65113
   34    30 S   CO3  _C3_    29     1.52895   114.33729   179.85735
   35    34 S   O2Z  _O31    30     1.26340   116.07284     1.49148
   36    34 S   O2Z  _O32    31     1.26445   114.41850  -178.51826
   37    33 S   CA   _C11    37     1.56560   106.78528  -178.70291
   38    33 S   CM   _C18    58     1.51994   109.37126    55.95963
   39    38 S   HC   _H35    59     1.09201   116.01732    25.33976
   40    37 S   CA   _C13    38     1.42202   123.64353   -90.88761
   41    38 S   CMA  _C19    60     1.35804   127.72897  -153.73030
   42    41 S   OM   _O23    61     1.26587   125.54967  -179.93439
   43    40 S   CA   _C4_    39     1.41224   119.96630  -176.68707
   44    43 S   HA   _H30    40     1.08961   118.89128   177.26591
   45    40 S   CT   _C25    54     1.50728   124.87441     3.68286
   46    45 S   HC   _H39    55     1.09298   110.81123   -78.21521
   47    45 S   HC   _H40    56     1.09314   111.08985    45.91688
   48    45 S   HC   _H41    57     1.09661   111.33049   162.91673
   49    41 S   CA   _C9_    62     1.51285   113.50049     0.64952
   50    43 S   CA   _C7_    41     1.39495   121.82900    -4.11813
   51    49 S   CA   _C8_    63     1.40349   119.51373    23.94307
   52    50 S   CA   _C10    42     1.38898   119.67403    -0.94523
   53    51 S   CA   _C5_    64     1.40094   122.88361   175.86199
   54    53 S   HA   _H31    65     1.08793   120.26818  -179.67615
   55    33 S   CO4  _C22    76     1.53945   109.99087   -56.03638
   56    55 S   O    _O26    77     1.22639   126.39948   -12.17819
   57    37 S   CA   _C15    43     1.42795   119.99779    85.61330
   58    52 S   CO4  _C21    46     1.48535   119.16452  -175.49107
   59    58 S   O    _O25    47     1.22583   122.11899   174.85155
   60    53 S   CA   _C12    66     1.39527   119.76417     1.68005
   61    57 S   OH   _O28    44     1.37099   117.70981    -3.37023
   62    61 S   HO   _H43    45     0.97334   110.68974   164.29721
   63    58 S   CM   _C17    48     1.47632   118.18643    -4.60462
   64    63 S   HC   _H34    49     1.08457   117.24412  -177.42610
   65    60 S   CA   _C6_    67     1.39786   118.83435    -1.45347
   66    65 S   HA   _H32    68     1.08784   119.97146  -179.01543
   67    60 S   CT   _C24    72     1.49848   120.52068  -179.06288
   68    67 S   HC   _H36    73     1.09431   110.00596    88.53148
   69    67 S   HC   _H37    74     1.09509   110.92862  -150.97593
   70    67 S   HC   _H38    75     1.09516   110.91590   -31.96028
   71    63 S   CM   _C16    50     1.33252   121.91589     3.10173
   72    71 S   HC   _H33    51     1.08434   121.08137   179.57204
   73    49 S   CA   _C14    69     1.40873   124.33986  -159.54868
   74    50 S   CO4  _C20    52     1.47756   118.92629  -179.48111
   75    74 S   O    _O24    53     1.22482   121.96321    -1.51427
   76    73 S   OH   _O27    70     1.37234   122.70104     3.52681
   77    76 S   HO   _H42    71     0.97573   107.32612    -5.17476
  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  10   5   4   3
  16   2   1   1  19  10   4  12   8   3  12   4   5   2   1   1
  11  10   9  10  11   4   4   1   6   7   3   8   1   1   5   3
   8   3   4   2   1   1   3   2   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    57    38    39    41    51    55    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    43    52    57    61    45    38    39    41    42    49    51    53    55    56  
   35    36  
   36  
    0  
   40    43    44    50    52    57    61    62    58    45    46    47    48    38    39    41    51    55    56  
   39    41    42    49    51    73    55    56    40    57  
   41    42    49    55  
   43    44    50    52    57    61    74    45    46    47    48    55  
   42    49    51    53    65    73    76    55  
   49    51    73  
   44    50    52    57    58    71    74    75    45    46    47    48  
   50    52    74    45  
   46    47    48    50    57  
   47    48  
   48  
    0  
   51    53    54    60    65    66    73    76    77    55    56  
   52    57    61    58    59    63    71    72    74    75  
   53    54    60    65    73    76    67    55    56  
   57    61    62    58    59    63    64    71    74    75  
   54    60    65    66    73    67    68    69    70    55    56  
   60    65    67    55  
   56    57    60    73  
    0  
   61    62    58    59    63    74  
   59    63    64    71    72    74    61  
   63    64    71  
   65    66    73    76    67    68    69    70  
   62  
    0  
   64    71    72    74    75  
   71    72    74  
   66    73    76    77    67    68    69    70  
   73    76    67  
   68    69    70    73  
   69    70  
   70  
    0  
   72    74    75  
   74    75  
   76    77  
   75  
    0  
   77  
    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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   317.000  1.510
   33    55   317.000  1.522
   37    40   469.000  1.400
   37    57   469.000  1.400
   40    43   469.000  1.400
   40    45   317.000  1.510
   43    44   367.000  1.080
   43    50   469.000  1.400
   50    52   469.000  1.400
   50    74   310.000  1.470
   52    57   469.000  1.400
   52    58   310.000  1.470
   57    61   450.000  1.364
   61    62   553.000  0.945
   58    59   570.000  1.229
   58    63   320.000  1.462
   63    64   340.000  1.080
   63    71   549.000  1.340
   71    72   340.000  1.080
   71    74   320.000  1.462
   74    75   570.000  1.229
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    49   320.000  1.460
   49    51   469.000  1.400
   49    73   469.000  1.400
   51    53   469.000  1.400
   51    55   310.000  1.470
   53    54   367.000  1.080
   53    60   469.000  1.400
   60    65   469.000  1.400
   60    67   317.000  1.510
   65    66   367.000  1.080
   65    73   469.000  1.400
   73    76   450.000  1.364
   76    77   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   570.000  1.229
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    55    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    57    70.00000  120.00000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    55    51    65.00000  115.47100
   33    55    56    80.00000  120.40000
   37    40    43    63.00000  120.00000
   37    40    45    70.00000  120.00000
   37    57    52    63.00000  120.00000
   37    57    61    70.00000  120.00000
   40    43    44    35.00000  120.00000
   40    43    50    63.00000  120.00000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   43    50    52    63.00000  120.00000
   43    50    74    60.00000  119.52600
   50    43    44    35.00000  120.00000
   50    52    57    63.00000  120.00000
   50    52    58    60.00000  119.52600
   50    74    71    65.00000  117.02400
   50    74    75    75.00000  123.78400
   52    57    61    70.00000  120.00000
   52    58    59    75.00000  123.78400
   52    58    63    65.00000  117.02400
   57    37    40    63.00000  120.00000
   57    61    62    35.00000  113.00000
   58    52    57    60.00000  119.52600
   58    63    64    40.00000  117.72500
   58    63    71    65.00000  118.96000
   63    58    59    80.00000  123.72100
   63    71    72    35.00000  120.00000
   63    71    74    65.00000  118.96000
   71    63    64    35.00000  120.00000
   71    74    75    80.00000  123.72100
   74    50    52    60.00000  119.52600
   74    71    72    40.00000  117.72500
   45    40    43    70.00000  120.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   38    33    37    70.00000  112.99600
   38    41    42    65.00000  137.10300
   38    41    49    60.00000  123.20500
   41    38    39    40.00000  120.50800
   41    49    51    60.00000  120.93500
   41    49    73    60.00000  120.93500
   49    41    42    85.00000  114.86500
   49    51    53    63.00000  120.00000
   49    51    55    60.00000  119.52600
   49    73    65    63.00000  120.00000
   49    73    76    70.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    60    63.00000  120.00000
   51    55    56    75.00000  123.78400
   53    60    65    63.00000  120.00000
   53    60    67    70.00000  120.00000
   60    53    54    35.00000  120.00000
   60    65    66    35.00000  120.00000
   60    65    73    63.00000  120.00000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   65    73    76    70.00000  120.00000
   73    49    51    63.00000  120.00000
   73    65    66    35.00000  120.00000
   73    76    77    35.00000  113.00000
   67    60    65    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    33    37    70.00000  110.93000
   55    33    38    70.00000  109.06800
   55    51    53    60.00000  119.52600
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    57  -0.16000  1.0 1.0
   29    33    37    57  -0.03200 -1.0 2.0
   29    33    37    57   0.04500  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    55    51   0.65300  1.0 1.0
   29    33    55    51  -0.03850 -1.0 2.0
   29    33    55    51   0.33900  1.0 3.0
   29    33    55    56   0.30150 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    40    45   3.62500 -1.0 2.0
   33    37    57    52   3.62500 -1.0 2.0
   33    37    57    61   3.62500 -1.0 2.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    41   1.44450  1.0 1.0
   37    33    38    41   0.06600 -1.0 2.0
   37    33    38    41   0.29250  1.0 3.0
   37    33    55    51   0.65300  1.0 1.0
   37    33    55    51  -0.03850 -1.0 2.0
   37    33    55    51   0.33900  1.0 3.0
   37    33    55    56   0.30150 -1.0 2.0
   37    40    43    44   3.62500 -1.0 2.0
   37    40    43    50   3.62500 -1.0 2.0
   37    40    45    46   0.00000  1.0 1.0
   37    40    45    47   0.00000  1.0 1.0
   37    40    45    48   0.00000  1.0 1.0
   37    57    61    62   0.84100 -1.0 2.0
   40    37    57    52   3.62500 -1.0 2.0
   40    37    57    61   3.62500 -1.0 2.0
   40    43   -50    52   3.62500 -1.0 2.0
   40    43    50    74   3.62500 -1.0 2.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    47   0.00000  1.0 1.0
   43    40    45    48   0.00000  1.0 1.0
   43    50    52    57   3.62500 -1.0 2.0
   43    50    52    58   3.62500 -1.0 2.0
   43    50    74    71  -0.11500  1.0 1.0
   43    50    74    71   1.10450 -1.0 2.0
   43    50    74    71  -0.48050  1.0 3.0
   43    50    74    75   1.05000 -1.0 2.0
   44    43    50    52   3.62500 -1.0 2.0
   44    43    50    74   3.62500 -1.0 2.0
   50    52   -57    37   3.62500 -1.0 2.0
   50    52    57    61   3.62500 -1.0 2.0
   50    52    58    59   1.05000 -1.0 2.0
   50    52    58    63  -0.11500  1.0 1.0
   50    52    58    63   1.10450 -1.0 2.0
   50    52    58    63  -0.48050  1.0 3.0
   52    50    74    71  -0.11500  1.0 1.0
   52    50    74    71   1.10450 -1.0 2.0
   52    50    74    71  -0.48050  1.0 3.0
   52    50    74    75   1.05000 -1.0 2.0
   52    57    61    62   0.84100 -1.0 2.0
   52    58    63    64   1.64500 -1.0 2.0
   52    58   -63    71  -1.65800  1.0 1.0
   52    58   -63    71   0.77650 -1.0 2.0
   57    37   -40    43   3.62500 -1.0 2.0
   57    37    40    45   3.62500 -1.0 2.0
   57    52    58    59   1.05000 -1.0 2.0
   57    52    58    63  -0.11500  1.0 1.0
   57    52    58    63   1.10450 -1.0 2.0
   57    52    58    63  -0.48050  1.0 3.0
   58    52    57    37   3.62500 -1.0 2.0
   58    52    57    61   3.62500 -1.0 2.0
   58    63    71    72   7.00000 -1.0 2.0
   58    63    71    74   7.00000 -1.0 2.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    71   1.00000 -1.0 2.0
   63    71   -74    50  -1.65800  1.0 1.0
   63    71   -74    50   0.77650 -1.0 2.0
   63    71    74    75   1.00000 -1.0 2.0
   64    63    71    72   7.00000 -1.0 2.0
   64    63    71    74   7.00000 -1.0 2.0
   72    71    74    50   1.64500 -1.0 2.0
   72    71    74    75   0.00000  1.0 1.0
   74    50    52    57   3.62500 -1.0 2.0
   74    50   -52    58   3.62500 -1.0 2.0
   45    40    43    44   3.62500 -1.0 2.0
   45    40    43    50   3.62500 -1.0 2.0
   38    33    37    40   0.18050 -1.0 2.0
   38    33    37    57   0.18050 -1.0 2.0
   38    33    55    51   0.65300  1.0 1.0
   38    33    55    51  -0.03850 -1.0 2.0
   38    33    55    51   0.33900  1.0 3.0
   38    33    55    56   0.30150 -1.0 2.0
   38    41   -49    51   0.15800  1.0 1.0
   38    41   -49    51   1.85350 -1.0 2.0
   38    41   -49    51  -0.48700  1.0 3.0
   38    41    49    73   0.15800  1.0 1.0
   38    41    49    73   1.85350 -1.0 2.0
   38    41    49    73  -0.48700  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    49   7.00000 -1.0 2.0
   41    49    51    53   3.62500 -1.0 2.0
   41    49    51    55   3.62500 -1.0 2.0
   41    49    73    65   3.62500 -1.0 2.0
   41    49    73    76   3.62500 -1.0 2.0
   42    41    49    51  -0.01750  1.0 1.0
   42    41    49    51  -0.32000 -1.0 2.0
   42    41    49    51   0.00600  1.0 3.0
   42    41    49    73  -0.01750  1.0 1.0
   42    41    49    73  -0.32000 -1.0 2.0
   42    41    49    73   0.00600  1.0 3.0
   49    51    53    54   3.62500 -1.0 2.0
   49    51    53    60   3.62500 -1.0 2.0
   49    51   -55    33   2.26350  1.0 1.0
   49    51   -55    33   0.76750 -1.0 2.0
   49    51   -55    33   0.22500  1.0 3.0
   49    51    55    56   1.05000 -1.0 2.0
   49    73    76    77   0.84100 -1.0 2.0
   51    49    73    65   3.62500 -1.0 2.0
   51    49    73    76   3.62500 -1.0 2.0
   51    53   -60    65   3.62500 -1.0 2.0
   51    53    60    67   3.62500 -1.0 2.0
   53    51    55    33   2.26350  1.0 1.0
   53    51    55    33   0.76750 -1.0 2.0
   53    51    55    33   0.22500  1.0 3.0
   53    51    55    56   1.05000 -1.0 2.0
   53    60    65    66   3.62500 -1.0 2.0
   53    60    65    73   3.62500 -1.0 2.0
   53    60    67    68   0.00000  1.0 1.0
   53    60    67    69   0.00000  1.0 1.0
   53    60    67    70   0.00000  1.0 1.0
   54    53    60    65   3.62500 -1.0 2.0
   54    53    60    67   3.62500 -1.0 2.0
   60    65   -73    49   3.62500 -1.0 2.0
   60    65    73    76   3.62500 -1.0 2.0
   65    60    67    68   0.00000  1.0 1.0
   65    60    67    69   0.00000  1.0 1.0
   65    60    67    70   0.00000  1.0 1.0
   65    73    76    77   0.84100 -1.0 2.0
   66    65    73    49   3.62500 -1.0 2.0
   66    65    73    76   3.62500 -1.0 2.0
   73    49   -51    53   3.62500 -1.0 2.0
   73    49    51    55   3.62500 -1.0 2.0
   67    60    65    66   3.62500 -1.0 2.0
   67    60    65    73   3.62500 -1.0 2.0
   55    33    37    40   0.04300 -1.0 2.0
   55    33    37    57   0.04300 -1.0 2.0
   55    33    38    39   0.00000  1.0 1.0
   55    33   -38    41  -0.51250  1.0 1.0
   55    33   -38    41  -0.88800 -1.0 2.0
   55    33   -38    41   0.08850  1.0 3.0
   55    51    53    54   3.62500 -1.0 2.0
   55    51    53    60   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   40    57    37    33   4.00000 -1.0 2.0
   43    45    40    37   4.00000 -1.0 2.0
   50    44    43    40   1.10000 -1.0 2.0
   52    74    50    43   4.00000 -1.0 2.0
   57    58    52    50   4.00000 -1.0 2.0
   52    61    57    37   4.00000 -1.0 2.0
   52    63    58    59  10.50000 -1.0 2.0
   58    64    63    71   1.10000 -1.0 2.0
   74    72    71    63   1.10000 -1.0 2.0
   50    71    74    75  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   49    42    41    38   1.10000 -1.0 2.0
   51    73    49    41   4.00000 -1.0 2.0
   53    55    51    49   4.00000 -1.0 2.0
   60    54    53    51   1.10000 -1.0 2.0
   65    67    60    53   4.00000 -1.0 2.0
   73    66    65    60   1.10000 -1.0 2.0
   65    76    73    49   4.00000 -1.0 2.0
   33    51    55    56  10.50000 -1.0 2.0
END
