* LIGAND DATABASE FILE (OPLS2005)
*
001      68    72    127    215     375
    1     0 S   NP   _N1_     1    28.94206    96.78500   -22.69941
    2     1 S   H    _HN1     2     1.02949    67.52703    24.31736
    3     1 S   H    _H1_     3     1.02827    43.80639   177.24793
    4     1 S   H    _H2_     4     1.02789   103.07208   -80.42421
    5     1 S   CT   _CA1     5     1.50157   142.68442   118.85947
    6     5 S   HC   _HA1     6     1.09583   105.09524    98.32245
    7     5 S   CO3  _C1_     7     1.53689   112.46045   -21.66045
    8     7 S   O2Z  _O11     8     1.26362   115.01091   -41.87293
    9     7 S   O2Z  _O12     9     1.26244   114.90802   136.93538
   10     5 S   CT   _CB1    10     1.53048   107.37227  -143.89398
   11    10 S   HC   HB11    11     1.09837   109.03221   -50.35534
   12    10 S   HC   HB12    12     1.09809   110.56764    66.14307
   13    10 S   CT   _CG1    13     1.53040   112.77642  -171.40961
   14    13 S   HC   HG11    14     1.09564   110.62199   -71.04536
   15    13 S   HC   HG12    15     1.09679   109.76726    48.17784
   16    13 S   C    _CD1    16     1.51881   112.02968   168.36589
   17    16 S   O    _OE1    17     1.22754   123.20210    10.57784
   18    16 S   N    _N2_    18     1.38608   111.79816  -169.10621
   19    18 S   H    _HN2    19     1.01592   118.95781    -0.58884
   20    18 S   CT1  _CA2    20     1.46288   123.45644   175.18143
   21    20 S   HC   _HA2    21     1.09740   109.37353     1.95645
   22    20 S   C    _C2_    22     1.53576   108.50982  -113.31626
   23    22 S   O    _O2_    23     1.23055   122.34013  -148.70374
   24    20 S   CT   _CB2    32     1.53195   111.49881   124.17176
   25    24 S   HC   HB21    33     1.09509   110.02799    55.74369
   26    24 S   HC   HB22    34     1.09515   110.72093   174.05037
   27    22 S   N    _N3_    24     1.38356   113.66009    38.88966
   28    27 S   H    _HN3    25     1.01580   119.50969    -3.60348
   29    24 S   S    _SG2    35     1.82796   111.15026   -67.22279
   30    27 S   CT   _CA3    26     1.45270   123.28861   177.06976
   31    30 S   HC   HA31    27     1.09547   107.54351   -63.95933
   32    30 S   HC   HA32    28     1.09555   107.95783    52.48814
   33    29 S   CT   _C22    36     1.85263    99.75056   141.96512
   34    33 S   HC   _H3_    37     1.09875   106.27797    45.57368
   35    30 S   CO3  _C3_    29     1.52970   114.04069   174.46618
   36    35 S   O2Z  _O31    30     1.26383   116.06787    -0.30196
   37    35 S   O2Z  _O32    31     1.26422   114.41999   179.74977
   38    33 S   CM   _C21    38     1.50750   106.26886   160.70219
   39    38 S   HC   _H14    39     1.08651   117.79252   -84.53109
   40    38 S   CM   _C20    40     1.34020   122.84440    97.23933
   41    40 S   HC   _H13    41     1.08203   118.74500   177.81349
   42    40 S   CA   _C12    42     1.47577   121.31521    -2.81174
   43    42 S   CA   _C13    43     1.41713   122.82710  -163.33491
   44    42 S   CA   _C11    63     1.41643   117.98437    17.14996
   45    43 S   CM   _C19    44     1.48340   122.97363     1.82660
   46    45 S   HC   _H12    45     1.08228   119.77831     0.61834
   47    33 S   CT   _C23    64     1.56613   111.72209   -75.65431
   48    47 S   OM   _O33    65     1.32799   108.21579   159.99790
   49    47 S   HC   _H4_    66     1.09973   106.59359    32.11376
   50    43 S   CR3  _C14    67     1.42503   120.26989  -179.14820
   51    45 S   CM   _C18    46     1.34134   121.87820   179.98022
   52    51 S   HC   _H11    47     1.08471   120.57519  -179.78239
   53    54 S   CR3  _C15    68     1.40938   118.89730    -0.35277
   54    51 S   CA   _C16    48     1.46629   120.69699    -0.32143
   55    54 S   CA   _C17    49     1.39922   120.44728  -179.95577
   56    55 S   HA   _H10    50     1.08713   120.81519    -0.34150
   57    55 S   CA   _C4_    51     1.39221   120.03444   179.53270
   58    57 S   HA   _H5_    52     1.08630   119.99640  -179.93147
   59    57 S   CA   _C5_    53     1.39421   120.07184    -0.03426
   60    59 S   HA   _H6_    54     1.08805   118.81545  -179.87805
   61    59 S   CA   _C6_    55     1.40377   120.67138     0.08393
   62    61 S   CA   _C7_    56     1.39790   121.18087  -179.96574
   63    62 S   HA   _H7_    57     1.08785   120.80359     0.30132
   64    62 S   CA   _C8_    58     1.39363   120.47183   179.94766
   65    64 S   HA   _H8_    59     1.08828   118.57127  -179.84934
   66    64 S   CA   _C9_    60     1.40076   120.88234    -0.14671
   67    66 S   CA   _C10    61     1.39725   120.55695  -179.61948
   68    67 S   HA   _H9_    62     1.08949   119.72766     0.00000
  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
  11   7   2   1   1   9   4   8   3  13  13   9   8   4   5   2
   1  12   7   3  12   8   6   3   5   3   5   2   5   5   3   4
   2   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    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    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    67    44    47    48    49  
   38    39    40    44    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    48    49  
   40    41    42    47  
   41    42    43    45    67    44    47    50  
   42    43    44  
   43    45    46    51    66    67    68    44    47    48    49    50    53  
   45    46    51    52    54    61    64    66    67    44    47    50    53  
   47    48    49    50    45    64    66    67    68  
   46    51    52    54    55    66    50    53  
   51    52    54    50  
   48    49    66    67    68  
   49    67  
   67  
   53    51    54    55    59    61    62    64    65    66    67    68  
   52    54    55    56    57    61    53  
   54    55    53  
   54    55    56    57    59    60    61    62    63    64    66    67  
   55    56    57    58    59    61    62    66  
   56    57    58    59    60    61  
   57    58    59  
   58    59    60    61    62  
   59    60    61  
   60    61    62    63    64  
   61    62  
   62    63    64    65    66  
   63    64    65    66    67  
   64    65    66  
   65    66    67    68  
   66    67  
   67    68  
   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  -0.335000   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   0.107500   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   0.0760  -0.115000   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   340.000  1.090
   33    38   317.000  1.510
   33    47   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   320.000  1.460
   42    43   469.000  1.400
   42    44   469.000  1.400
   43    45   320.000  1.460
   43    50   490.000  1.398
   45    46   340.000  1.080
   45    51   549.000  1.340
   51    52   340.000  1.080
   51    54   320.000  1.460
   54    55   469.000  1.400
   54    53   490.000  1.398
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   469.000  1.400
   61    53   490.000  1.398
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    50   490.000  1.398
   67    68   367.000  1.080
   67    44   469.000  1.400
   44    47   317.000  1.510
   47    48   570.000  1.307
   47    49   340.000  1.090
   50    53   490.000  1.398
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    75.00000  112.20000
   29    33    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    44    70.00000  112.17500
   33    47    48    50.00000  109.50000
   33    47    49    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    60.00000  123.20500
   40    38    39    35.00000  120.00000
   40    42    43    60.00000  120.93500
   40    42    44    60.00000  120.93500
   42    40    41    40.00000  117.26300
   42    43    45    60.00000  120.93500
   42    43    50    70.00000  112.88000
   42    44    67    63.00000  120.00000
   42    44    47    70.00000  120.00000
   43    45    46    40.00000  117.26300
   43    45    51    60.00000  123.20500
   43    50    66    60.00000  130.80000
   43    50    53    60.00000  130.80000
   45    51    52    35.00000  120.00000
   45    51    54    60.00000  123.20500
   51    45    46    35.00000  120.00000
   51    54    55    60.00000  120.93500
   51    54    53    60.00000  120.93500
   54    51    52    40.00000  117.26300
   54    55    56    35.00000  120.00000
   54    55    57    63.00000  120.00000
   54    53    61    60.00000  130.80000
   54    53    50    60.00000  130.80000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    63.00000  120.00000
   59    61    53    70.00000  112.88000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    64    63.00000  120.00000
   61    53    50    60.00000  130.80000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    50    70.00000  112.88000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    44    63.00000  120.00000
   66    50    53    60.00000  130.80000
   67    44    47    70.00000  120.00000
   44    42    43    63.00000  120.00000
   44    67    68    35.00000  120.00000
   44    47    48    85.00000  111.85700
   44    47    49    35.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   49    47    48    45.00000  125.66300
   50    43    45    60.00000  120.93500
   50    66    67    70.00000  112.88000
   53    54    55    70.00000  112.88000
   53    61    62    70.00000  112.88000
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  -0.62250  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   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.00000  1.0 1.0
   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   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.15000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    44   0.43200  1.0 3.0
   34    33    47    48   0.23400  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    44   0.21200  1.0 1.0
   38    33    47    44   0.16900 -1.0 2.0
   38    33    47    44  -1.15100  1.0 3.0
   38    33    47    48   0.61850  1.0 1.0
   38    33    47    48  -0.22750 -1.0 2.0
   38    33    47    48   0.15300  1.0 3.0
   38    33    47    49   0.15000  1.0 3.0
   38    40    42    43   0.15800  1.0 1.0
   38    40    42    43   1.85350 -1.0 2.0
   38    40    42    43  -0.48700  1.0 3.0
   38    40   -42    44   0.15800  1.0 1.0
   38    40   -42    44   1.85350 -1.0 2.0
   38    40   -42    44  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    45   3.62500 -1.0 2.0
   40    42    43    50   3.62500 -1.0 2.0
   40    42    44    67   3.62500 -1.0 2.0
   40    42    44    47   3.62500 -1.0 2.0
   41    40    42    43   0.56550  1.0 3.0
   41    40    42    44   0.56550  1.0 3.0
   42    43    45    46   0.56550  1.0 3.0
   42    43    45    51   0.15800  1.0 1.0
   42    43    45    51   1.85350 -1.0 2.0
   42    43    45    51  -0.48700  1.0 3.0
   42    43    50    66   3.62500 -1.0 2.0
   42    43    50    53   3.62500 -1.0 2.0
   42    44   -47    33   0.04150 -1.0 2.0
   42    44    47    48   0.64500  1.0 1.0
   42    44    47    48   0.14800 -1.0 2.0
   42    44    47    48   0.20650  1.0 3.0
   42    44    47    49   0.00000  1.0 1.0
   43    42    44    67   3.62500 -1.0 2.0
   43    42    44    47   3.62500 -1.0 2.0
   43    45    51    52   7.00000 -1.0 2.0
   43    45    51    54   7.00000 -1.0 2.0
   43    50   -53    54   3.62500 -1.0 2.0
   43    50    53    61   3.62500 -1.0 2.0
   45    43    50    66   3.62500 -1.0 2.0
   45    43    50    53   3.62500 -1.0 2.0
   45    51    54    55   0.15800  1.0 1.0
   45    51    54    55   1.85350 -1.0 2.0
   45    51    54    55  -0.48700  1.0 3.0
   45    51   -54    53   0.15800  1.0 1.0
   45    51   -54    53   1.85350 -1.0 2.0
   45    51   -54    53  -0.48700  1.0 3.0
   46    45    51    52   7.00000 -1.0 2.0
   46    45    51    54   7.00000 -1.0 2.0
   51    54    55    56   3.62500 -1.0 2.0
   51    54    55    57   3.62500 -1.0 2.0
   51    54    53    61   3.62500 -1.0 2.0
   51    54    53    50   3.62500 -1.0 2.0
   52    51    54    55   0.56550  1.0 3.0
   52    51    54    53   0.56550  1.0 3.0
   54    55    57    58   3.62500 -1.0 2.0
   54    55    57    59   3.62500 -1.0 2.0
   55    54    53    61   3.62500 -1.0 2.0
   55    54    53    50   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57   -59    61   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59    61    53   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61    62    64   3.62500 -1.0 2.0
   59    61   -53    54   3.62500 -1.0 2.0
   59    61    53    50   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    53   3.62500 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    66   3.62500 -1.0 2.0
   62    61    53    54   3.62500 -1.0 2.0
   62    61    53    50   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64   -66    50   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    67    44   3.62500 -1.0 2.0
   64    66    50    43   3.62500 -1.0 2.0
   64    66    50    53   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    50   3.62500 -1.0 2.0
   66    67   -44    42   3.62500 -1.0 2.0
   66    67    44    47   3.62500 -1.0 2.0
   66    50    53    54   3.62500 -1.0 2.0
   66    50   -53    61   3.62500 -1.0 2.0
   67    66   -50    43   3.62500 -1.0 2.0
   67    66    50    53   3.62500 -1.0 2.0
   67    44    47    33   0.04150 -1.0 2.0
   67    44    47    48   0.64500  1.0 1.0
   67    44    47    48   0.14800 -1.0 2.0
   67    44    47    48   0.20650  1.0 3.0
   67    44    47    49   0.00000  1.0 1.0
   68    67    44    42   3.62500 -1.0 2.0
   68    67    44    47   3.62500 -1.0 2.0
   44    42    43    45   3.62500 -1.0 2.0
   44    42    43    50   3.62500 -1.0 2.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
   50    43    45    46   0.56550  1.0 3.0
   50    43   -45    51   0.15800  1.0 1.0
   50    43   -45    51   1.85350 -1.0 2.0
   50    43   -45    51  -0.48700  1.0 3.0
   50    66    67    68   3.62500 -1.0 2.0
   50    66   -67    44   3.62500 -1.0 2.0
   53    54    55    56   3.62500 -1.0 2.0
   53    54   -55    57   3.62500 -1.0 2.0
   53    61    62    63   3.62500 -1.0 2.0
   53    61   -62    64   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    41    40    38   1.10000 -1.0 2.0
   43    44    42    40   4.00000 -1.0 2.0
   45    50    43    42   4.00000 -1.0 2.0
   43    46    45    51   1.10000 -1.0 2.0
   54    52    51    45   1.10000 -1.0 2.0
   55    53    54    51   4.00000 -1.0 2.0
   57    56    55    54   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   62    53    61    59   4.00000 -1.0 2.0
   64    63    62    61   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    50    66    64   4.00000 -1.0 2.0
   44    68    67    66   1.10000 -1.0 2.0
   67    47    44    42   4.00000 -1.0 2.0
   66    53    50    43   4.00000 -1.0 2.0
   61    50    53    54   4.00000 -1.0 2.0
END
