* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    130    219     390
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02080    97.11541    27.28732
    3     1 S   H    _H1_     3     1.02130    34.95339   139.99733
    4     1 S   H    _H2_     4     1.02083    82.25879   -80.71531
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.80594    98.15691  -178.21469
   34    33 S   HC   _H3_    37     1.09721   109.03548    35.65200
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CO4  _C20    38     1.50654   107.58964   -80.02955
   39    38 S   O    _O24    39     1.22878   120.39167    75.67038
   40    38 S   CA   _C11    40     1.47484   117.91830  -103.15008
   41    40 S   CA   _C8_    41     1.40473   120.13293   -12.67250
   42    41 S   CA   _C9_    42     1.41458   116.56514   178.52701
   43    41 S   CMA  _C17    71     1.51509   122.89421    -2.82008
   44    43 S   OM   _O21    72     1.26934   122.34505  -168.09568
   45    42 S   CA   _C13    43     1.39838   121.93012     0.43251
   46    42 S   CM   _C16    51     1.47529   124.64501  -177.58816
   47    33 S   CM   _C22    73     1.49894   110.26627   154.89688
   48    45 S   CA   _C6_    44     1.38736   120.03268     0.03956
   49    48 S   HA   _H34    45     1.08769   120.20460  -179.91153
   50    45 S   OH   _O26    49     1.36567   122.06773  -179.76344
   51    50 S   HO   _H37    50     0.96872   110.01425   179.82086
   52    46 S   CO4  _C19    52     1.49112   118.90005   -89.98226
   53    52 S   O    _O23    53     1.22557   121.37988    -0.65342
   54    47 S   OH   _O30    74     1.39424   111.69242   -74.60692
   55    54 S   HO   _H41    75     0.95710   109.03880  -177.45409
   56    40 S   CA   _C15    46     1.40404   118.23840   166.56969
   57    52 S   CA   _C10    54     1.47456   118.07187   179.55943
   58    56 S   OH   _O28    47     1.36435   122.91707     0.15826
   59    58 S   HO   _H39    48     0.97025   110.09280     1.04904
   60    57 S   CA   _C7_    55     1.39352   120.62651     0.24147
   61    60 S   CA   _C4_    56     1.40015   119.96900   179.89165
   62    61 S   HA   _H32    57     1.08782   120.95755   179.97202
   63    60 S   CO4  _C18    66     1.47262   120.48355    -0.20936
   64    63 S   O    _O22    67     1.22652   121.05254  -179.96044
   65    61 S   CA   _C12    58     1.39435   120.01521     0.00000
   66    46 S   CM   _C21    68     1.34286   120.07000    89.60281
   67    65 S   CA   _C5_    59     1.39294   120.08244    -0.00000
   68    67 S   HA   _H33    60     1.08786   119.90036   179.91607
   69    65 S   OH   _O25    64     1.36185   119.97410   179.97202
   70    69 S   HO   _H36    65     0.97108   110.26974    -0.02798
   71    66 S   OH   _O29    69     1.38352   121.53194    -0.04423
   72    71 S   HO   _H40    70     0.96135   109.66909   179.94766
   73    57 S   CA   _C14    61     1.40058   119.51677  -179.86878
   74    73 S   OH   _O27    62     1.36361   122.80090     0.14671
   75    74 S   HO   _H38    63     0.96877   110.18499    -0.05595
  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
  11   6   2   1   1  10   4  12  13  16   7   2   9  12   2   6
   3   2   1  10   4   1   1   2  12   1   1  11  10   4   6   2
   6   2   6   3   2   1   1   1   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    43    47    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    56    43    44    47    54    55  
   38    39    40    43    47    54  
   36    37  
   37  
    0  
   39    40    41    42    48    56    58    43    47    54  
   40    41    56    47  
   41    42    45    48    49    56    58    59    46    43    44    47  
   42    45    48    56    58    50    46    52    66    43    44    47    54  
   45    48    49    56    50    51    46    52    53    57    63    66    71    43    44    47  
   44    47    54    55    45    46    56  
   47    54  
   48    49    56    58    50    51    46    52    66  
   52    53    57    60    73    63    64    66    71    72    48    50  
   54    55  
   49    56    58    59    50    51  
   56    58    50  
   51    56  
    0  
   53    57    60    61    67    73    74    63    66    71  
   57    60    73    66  
   55  
    0  
   58    59  
   60    61    62    65    67    68    73    74    75    63    64    66  
   59  
    0  
   61    62    65    67    73    74    69    63    64    66    71  
   62    65    67    68    73    69    70    63    64    66  
   65    67    69    63  
   64    66    71    72    65    73  
   66    71  
   67    68    73    74    69    70  
   71    72  
   68    73    74    75    69    70  
   73    74    69  
   70    73  
    0  
   72  
    0  
   74    75  
   75  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   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
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   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    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  1.522
   33    47   317.000  1.510
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    56   469.000  1.400
   41    42   469.000  1.400
   41    43   320.000  1.460
   42    45   469.000  1.400
   42    46   320.000  1.460
   45    48   469.000  1.400
   45    50   450.000  1.364
   48    49   367.000  1.080
   48    56   469.000  1.400
   56    58   450.000  1.364
   58    59   553.000  0.945
   50    51   553.000  0.945
   46    52   320.000  1.462
   46    66   549.000  1.340
   52    53   570.000  1.229
   52    57   310.000  1.470
   57    60   469.000  1.400
   57    73   469.000  1.400
   60    61   469.000  1.400
   60    63   310.000  1.470
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    67   469.000  1.400
   65    69   450.000  1.364
   67    68   367.000  1.080
   67    73   469.000  1.400
   73    74   450.000  1.364
   74    75   553.000  0.945
   69    70   553.000  0.945
   63    64   570.000  1.229
   63    66   320.000  1.462
   66    71   510.000  1.338
   71    72   553.000  0.945
   43    44   745.000  1.250
   43    47   465.000  1.376
   47    54   510.000  1.338
   54    55   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    47    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    47    43    70.00000  124.00000
   33    47    54    90.00000  109.34000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    56    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  120.93500
   40    56    48    63.00000  120.00000
   40    56    58    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    46    60.00000  118.70000
   41    43    44    85.00000  114.86500
   41    43    47    60.00000  123.20500
   42    45    48    63.00000  120.00000
   42    45    50    70.00000  120.00000
   42    46    52    60.00000  124.00000
   42    46    66    60.00000  123.66000
   45    48    49    35.00000  120.00000
   45    48    56    63.00000  120.00000
   45    50    51    35.00000  113.00000
   48    56    58    70.00000  120.00000
   56    40    41    63.00000  120.00000
   56    48    49    35.00000  120.00000
   56    58    59    35.00000  113.00000
   50    45    48    70.00000  120.00000
   46    42    45    60.00000  118.70000
   46    52    53    80.00000  123.72100
   46    52    57    65.00000  117.02400
   46    66    63    65.00000  118.96000
   46    66    71    80.00000  121.38400
   52    57    60    60.00000  119.52600
   52    57    73    60.00000  119.52600
   57    52    53    75.00000  123.78400
   57    60    61    63.00000  120.00000
   57    60    63    60.00000  119.52600
   57    73    67    63.00000  120.00000
   57    73    74    70.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    75.00000  123.78400
   60    63    66    65.00000  117.02400
   61    65    67    63.00000  120.00000
   61    65    69    70.00000  120.00000
   65    61    62    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    73    63.00000  120.00000
   65    69    70    35.00000  113.00000
   67    73    74    70.00000  120.00000
   73    57    60    63.00000  120.00000
   73    67    68    35.00000  120.00000
   73    74    75    35.00000  113.00000
   69    65    67    70.00000  120.00000
   63    60    61    60.00000  119.52600
   63    66    71    85.00000  116.28000
   66    46    52    65.00000  118.96000
   66    63    64    80.00000  123.72100
   66    71    72    70.00000  107.45700
   43    41    42    60.00000  120.93500
   43    47    54    80.00000  121.38400
   47    33    34    35.00000  109.50000
   47    33    38    70.00000  109.06800
   47    43    44    65.00000  137.10300
   47    54    55    70.00000  107.45700
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    43   0.42700  1.0 1.0
   29    33    47    43  -0.70350 -1.0 2.0
   29    33    47    43  -0.43150  1.0 3.0
   29    33    47    54   0.09700  1.0 1.0
   29    33    47    54   0.15600 -1.0 2.0
   29    33    47    54  -0.50800  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    56   2.26350  1.0 1.0
   33    38    40    56   0.76750 -1.0 2.0
   33    38    40    56   0.22500  1.0 3.0
   33    47    54    55   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    43   0.00000  1.0 1.0
   34    33    47    54   0.00000  1.0 1.0
   38    33    47    43  -0.51250  1.0 1.0
   38    33    47    43  -0.88800 -1.0 2.0
   38    33    47    43   0.08850  1.0 3.0
   38    33    47    54   0.09700  1.0 1.0
   38    33    47    54   0.15600 -1.0 2.0
   38    33    47    54  -0.50800  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    56    48   3.62500 -1.0 2.0
   38    40    56    58   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    56   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    43    44  -0.01750  1.0 1.0
   40    41    43    44  -0.32000 -1.0 2.0
   40    41    43    44   0.00600  1.0 3.0
   40    41    43    47   0.15800  1.0 1.0
   40    41    43    47   1.85350 -1.0 2.0
   40    41    43    47  -0.48700  1.0 3.0
   40    56    58    59   0.84100 -1.0 2.0
   41    40    56    48   3.62500 -1.0 2.0
   41    40    56    58   3.62500 -1.0 2.0
   41    42   -45    48   3.62500 -1.0 2.0
   41    42    45    50   3.62500 -1.0 2.0
   41    42    46    52  -0.01750  1.0 1.0
   41    42    46    52  -0.32000 -1.0 2.0
   41    42    46    52   0.00600  1.0 3.0
   41    42    46    66   0.15800  1.0 1.0
   41    42    46    66   1.85350 -1.0 2.0
   41    42    46    66  -0.48700  1.0 3.0
   41    43   -47    33   7.00000 -1.0 2.0
   41    43    47    54   7.00000 -1.0 2.0
   42    41    43    44  -0.01750  1.0 1.0
   42    41    43    44  -0.32000 -1.0 2.0
   42    41    43    44   0.00600  1.0 3.0
   42    41    43    47   0.15800  1.0 1.0
   42    41    43    47   1.85350 -1.0 2.0
   42    41    43    47  -0.48700  1.0 3.0
   42    45    48    49   3.62500 -1.0 2.0
   42    45    48    56   3.62500 -1.0 2.0
   42    45    50    51   0.84100 -1.0 2.0
   42    46    52    53  -0.52200  1.0 1.0
   42    46    52    53   0.82950 -1.0 2.0
   42    46    52    57   1.50000 -1.0 2.0
   42    46    66    63   7.00000 -1.0 2.0
   42    46    66    71   7.00000 -1.0 2.0
   45    42    46    52  -0.01750  1.0 1.0
   45    42    46    52  -0.32000 -1.0 2.0
   45    42    46    52   0.00600  1.0 3.0
   45    42    46    66   0.15800  1.0 1.0
   45    42    46    66   1.85350 -1.0 2.0
   45    42    46    66  -0.48700  1.0 3.0
   45    48   -56    40   3.62500 -1.0 2.0
   45    48    56    58   3.62500 -1.0 2.0
   48    45    50    51   0.84100 -1.0 2.0
   48    56    58    59   0.84100 -1.0 2.0
   49    48    56    40   3.62500 -1.0 2.0
   49    48    56    58   3.62500 -1.0 2.0
   56    40   -41    42   3.62500 -1.0 2.0
   56    40    41    43   3.62500 -1.0 2.0
   50    45    48    49   3.62500 -1.0 2.0
   50    45    48    56   3.62500 -1.0 2.0
   46    42    45    48   3.62500 -1.0 2.0
   46    42    45    50   3.62500 -1.0 2.0
   46    52    57    60  -0.11500  1.0 1.0
   46    52    57    60   1.10450 -1.0 2.0
   46    52    57    60  -0.48050  1.0 3.0
   46    52    57    73  -0.11500  1.0 1.0
   46    52    57    73   1.10450 -1.0 2.0
   46    52    57    73  -0.48050  1.0 3.0
   46    66    71    72  -0.66100  1.0 1.0
   46    66    71    72   1.20850 -1.0 2.0
   46    66    71    72  -0.36000  1.0 3.0
   52    46    66    63   7.00000 -1.0 2.0
   52    46    66    71   7.00000 -1.0 2.0
   52    57    60    61   3.62500 -1.0 2.0
   52    57   -60    63   3.62500 -1.0 2.0
   52    57    73    67   3.62500 -1.0 2.0
   52    57    73    74   3.62500 -1.0 2.0
   53    52    57    60   1.05000 -1.0 2.0
   53    52    57    73   1.05000 -1.0 2.0
   57    60    61    62   3.62500 -1.0 2.0
   57    60    61    65   3.62500 -1.0 2.0
   57    60    63    64   1.05000 -1.0 2.0
   57    60    63    66  -0.11500  1.0 1.0
   57    60    63    66   1.10450 -1.0 2.0
   57    60    63    66  -0.48050  1.0 3.0
   57    73    74    75   0.84100 -1.0 2.0
   60    57    73    67   3.62500 -1.0 2.0
   60    57    73    74   3.62500 -1.0 2.0
   60    61   -65    67   3.62500 -1.0 2.0
   60    61    65    69   3.62500 -1.0 2.0
   60    63   -66    46  -1.65800  1.0 1.0
   60    63   -66    46   0.77650 -1.0 2.0
   60    63    66    71   1.50000 -1.0 2.0
   61    60    63    64   1.05000 -1.0 2.0
   61    60    63    66  -0.11500  1.0 1.0
   61    60    63    66   1.10450 -1.0 2.0
   61    60    63    66  -0.48050  1.0 3.0
   61    65    67    68   3.62500 -1.0 2.0
   61    65    67    73   3.62500 -1.0 2.0
   61    65    69    70   0.84100 -1.0 2.0
   62    61    65    67   3.62500 -1.0 2.0
   62    61    65    69   3.62500 -1.0 2.0
   65    67   -73    57   3.62500 -1.0 2.0
   65    67    73    74   3.62500 -1.0 2.0
   67    65    69    70   0.84100 -1.0 2.0
   67    73    74    75   0.84100 -1.0 2.0
   68    67    73    57   3.62500 -1.0 2.0
   68    67    73    74   3.62500 -1.0 2.0
   73    57   -60    61   3.62500 -1.0 2.0
   73    57    60    63   3.62500 -1.0 2.0
   69    65    67    68   3.62500 -1.0 2.0
   69    65    67    73   3.62500 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -1.0 2.0
   63    66    71    72   2.00000 -1.0 2.0
   64    63    66    46   1.00000 -1.0 2.0
   64    63    66    71  -0.11900  1.0 1.0
   64    63    66    71   0.76850 -1.0 2.0
   64    63    66    71   0.14100  1.0 3.0
   66    46    52    53   1.00000 -1.0 2.0
   66    46   -52    57  -1.65800  1.0 1.0
   66    46   -52    57   0.77650 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    46   3.62500 -1.0 2.0
   43    47    54    55  -0.66100  1.0 1.0
   43    47    54    55   1.20850 -1.0 2.0
   43    47    54    55  -0.36000  1.0 3.0
   44    43    47    33   7.00000 -1.0 2.0
   44    43    47    54   7.00000 -1.0 2.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.65300  1.0 1.0
   47    33   -38    40  -0.03850 -1.0 2.0
   47    33   -38    40   0.33900  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    56    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    46    42    41   4.00000 -1.0 2.0
   48    50    45    42   4.00000 -1.0 2.0
   56    49    48    45   1.10000 -1.0 2.0
   48    58    56    40   4.00000 -1.0 2.0
   42    52    46    66   1.10000 -1.0 2.0
   46    57    52    53  10.50000 -1.0 2.0
   60    73    57    52   4.00000 -1.0 2.0
   61    63    60    57   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   67    69    65    61   4.00000 -1.0 2.0
   73    68    67    65   1.10000 -1.0 2.0
   67    74    73    57   4.00000 -1.0 2.0
   60    66    63    64  10.50000 -1.0 2.0
   63    71    66    46   1.10000 -1.0 2.0
   41    44    43    47   1.10000 -1.0 2.0
   33    54    47    43   1.10000 -1.0 2.0
END
