* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    119    178     352
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02100    87.57330    44.26079
    3     1 S   H    _H1_     3     1.02083    33.13806   174.81571
    4     1 S   H    _H2_     4     1.02068    92.82557   -64.38700
    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   _C13    36     1.80594    98.15691  -178.21469
   34    33 S   HC   _H3_    37     1.09365   108.36295   -56.30949
   35    33 S   HC   _H4_    38     1.09556   108.74634    59.32886
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C7_    39     1.50552   110.45042   179.97202
   40    39 S   CMA  _C8_    40     1.35912   125.56428  -118.72860
   41    40 S   OM   _O33    41     1.26434   125.96986     0.01978
   42    39 S   OS   _O19    44     1.39002   112.72309    59.24426
   43    40 S   OH   _O15    42     1.40623   112.86918   179.60189
   44    43 S   HO   _H32    43     0.97324   105.27881  -180.00000
   45    42 S   CT   _C11    45     1.42555   112.26100    61.95814
   46    45 S   HC   _H27    46     1.09513   106.98943   -40.06878
   47    45 S   CT   _C9_    47     1.53917   109.86509  -157.85849
   48    47 S   HC   _H24    48     1.09693   109.13678   157.99883
   49    47 S   HC   _H25    49     1.09624   109.38074    40.38893
   50    47 S   CM   _C5_    50     1.50355   113.20839   -81.84377
   51    50 S   CM   _C4_    51     1.34092   124.28511   -10.77941
   52    51 S   HC   _H23    52     1.08763   120.71345   177.89225
   53    50 S   C    _C6_    66     1.46533   118.17009   168.31232
   54    53 S   O    _O34    67     1.21752   124.51134  -149.14556
   55    51 S   CT   _C10    53     1.50261   122.23238    -0.72578
   56    55 S   HC   _H26    54     1.09583   107.52063   104.49477
   57    53 S   OH   _O14    68     1.34894   109.59227    30.88443
   58    57 S   HO   _H31    69     0.98132   111.94754  -179.95154
   59    45 S   CT   _C12    55     1.53023   108.98439    79.37050
   60    59 S   HC   _H28    56     1.09725   110.70620   -56.45870
   61    55 S   OS   _O20    59     1.42411   109.14467  -139.44844
   62    59 S   OH   _O16    57     1.42805   108.34397  -173.67708
   63    62 S   HO   _H33    58     0.96857   106.37689    57.89634
   64    61 S   P1   _P22    60     1.61601   118.24512  -160.02151
   65    64 S   O2Z  _O13    61     1.50050   115.09689    39.95997
   66    64 S   OS   _O17    62     1.61697   103.78664   -87.01343
   67    66 S   HO   _H34    63     0.98044   118.93162  -173.20991
   68    64 S   OS   _O18    64     1.61643   102.70110   165.65982
   69    68 S   HO   _H35    65     0.98120   118.99699   174.21426
  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   6   5   4   3
   8   4   3   2   1   1   9   5   3  11   1   1  14   8  12   5
   4  10  11   5   4   2  10   5   1   1   5   3   7   1   1   5
   4   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    43    42    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    43    44    42    45    46    47    59  
   41    43    44    42    45  
   43    44    42  
   45    46    47    48    49    50    55    59    60    62    43  
   44  
    0  
   46    47    48    49    50    51    55    56    59    60    62    63    61    53  
   47    48    49    50    55    59    60    62  
   48    49    50    51    52    55    59    60    62    53    54    57  
   49    50    51    59    53  
   50    51    59    53  
   51    52    55    56    59    61    53    54    57    58  
   52    55    56    59    60    62    61    64    53    54    57  
   55    56    59    61    53  
   54    57    58    55  
   57    58  
   56    59    60    62    63    61    64    65    66    68  
   59    60    62    61    64  
   58  
    0  
   60    62    63    61    64  
   62    63    61  
   64    65    66    67    68    69    62  
   63  
    0  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69  
   68  
   69  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   55   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   65   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   66   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   68   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.380000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   440.000  1.360
   40    41   745.000  1.250
   40    43   510.000  1.338
   43    44   553.000  0.945
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    59   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.510
   50    51   549.000  1.340
   50    53   410.000  1.444
   51    52   340.000  1.080
   51    55   317.000  1.510
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   320.000  1.410
   59    60   340.000  1.090
   59    62   320.000  1.410
   62    63   553.000  0.945
   61    64   405.000  1.623
   64    65   675.000  1.490
   64    66   405.000  1.623
   64    68   405.000  1.623
   66    67   553.000  0.945
   68    69   553.000  0.945
   53    54   570.000  1.229
   53    57   450.000  1.364
   57    58   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    85.00000  112.85300
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    43    80.00000  121.38400
   39    42    45    90.00000  111.18400
   40    43    44    70.00000  107.45700
   43    40    41   115.00000  116.36000
   42    39    40    80.00000  120.01400
   42    45    46    35.00000  109.50000
   42    45    47    50.00000  109.50000
   42    45    59    50.00000  109.50000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    50    70.00000  112.02700
   45    59    55    58.35000  112.70000
   45    59    60    37.50000  110.70000
   45    59    62    50.00000  109.50000
   47    45    46    37.50000  110.70000
   47    50    51    70.00000  124.00000
   47    50    53    70.00000  119.70000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    51    52    35.00000  120.00000
   50    51    55    70.00000  124.00000
   50    53    54    80.00000  125.30000
   50    53    57    90.00000  111.55000
   51    55    56    35.00000  109.50000
   51    55    59    70.00000  112.02700
   51    55    61    85.00000  110.90400
   55    51    52    35.00000  117.00000
   55    59    60    37.50000  110.70000
   55    59    62    50.00000  109.50000
   55    61    64    75.00000  119.24600
   59    45    46    37.50000  110.70000
   59    45    47    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    62    63    55.00000  108.50000
   62    59    60    35.00000  109.50000
   61    55    56    35.00000  109.50000
   61    55    59    50.00000  109.50000
   61    64    65   100.00000  115.86100
   61    64    66   120.00000  102.38000
   61    64    68   120.00000  102.38000
   64    66    67    50.00000  113.86100
   64    68    69    50.00000  113.86100
   66    64    65   100.00000  115.86100
   68    64    65   100.00000  115.86100
   68    64    66   120.00000  102.38000
   53    50    51    70.00000  118.70000
   53    57    58    35.00000  113.00000
   57    53    54   100.00000  123.32000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.09700  1.0 1.0
   29    33    39    42   0.15600 -1.0 2.0
   29    33    39    42  -0.50800  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    43   7.00000 -1.0 2.0
   33    39    42    45   2.00000 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.00000  1.0 1.0
   39    40    43    44  -0.66100  1.0 1.0
   39    40    43    44   1.20850 -1.0 2.0
   39    40    43    44  -0.36000  1.0 3.0
   39    42    45    46   0.08050  1.0 3.0
   39    42    45    47  -0.46850  1.0 1.0
   39    42    45    47   0.09300 -1.0 2.0
   39    42    45    47  -0.12850  1.0 3.0
   39    42    45    59  -0.46850  1.0 1.0
   39    42    45    59   0.09300 -1.0 2.0
   39    42    45    59  -0.12850  1.0 3.0
   40    39    42    45  -2.26850  1.0 1.0
   40    39    42    45   3.39050 -1.0 2.0
   41    40    43    44   2.00000 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    43   7.00000 -1.0 2.0
   42    45    47    48   0.23400  1.0 3.0
   42    45    47    49   0.23400  1.0 3.0
   42    45    47    50   0.61850  1.0 1.0
   42    45    47    50  -0.22750 -1.0 2.0
   42    45    47    50   0.15300  1.0 3.0
   42    45    59    55   0.62750  1.0 1.0
   42    45    59    55  -0.30950 -1.0 2.0
   42    45    59    55   0.27300  1.0 3.0
   42    45    59    60   0.23400  1.0 3.0
   42    45    59    62   3.69350  1.0 1.0
   42    45    59    62  -1.82950 -1.0 2.0
   45    47    50    51   0.09850  1.0 1.0
   45    47    50    51   0.15250 -1.0 2.0
   45    47    50    51  -0.50650  1.0 3.0
   45    47    50    53   0.09700  1.0 1.0
   45    47    50    53   0.15600 -1.0 2.0
   45    47    50    53  -0.50800  1.0 3.0
   45    59    62    63  -0.11600  1.0 1.0
   45    59    62    63  -0.09450 -1.0 2.0
   45    59    62    63   0.21250  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    59    55   0.15000  1.0 3.0
   46    45    59    60   0.15000  1.0 3.0
   46    45    59    62   0.23400  1.0 3.0
   47    45    59    55   0.56750  1.0 1.0
   47    45    59    55  -0.07550 -1.0 2.0
   47    45    59    55   0.20000  1.0 3.0
   47    45    59    60   0.15000  1.0 3.0
   47    45    59    62   0.86500  1.0 1.0
   47    45    59    62  -0.17500 -1.0 2.0
   47    45    59    62   0.20800  1.0 3.0
   47    50    51    52   7.00000 -1.0 2.0
   47    50   -51    55   7.00000 -1.0 2.0
   47    50    53    54  -0.64400  1.0 1.0
   47    50    53    54   0.26850 -1.0 2.0
   47    50    53    57  -0.23000  1.0 1.0
   47    50    53    57   0.83800 -1.0 2.0
   47    50    53    57   0.07650  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.00000  1.0 1.0
   49    47    50    53   0.15000  1.0 3.0
   50    51    55    56   0.00000  1.0 1.0
   50    51    55    59   0.09850  1.0 1.0
   50    51    55    59   0.15250 -1.0 2.0
   50    51    55    59  -0.50650  1.0 3.0
   50    51    55    61   0.39000  1.0 1.0
   50    51    55    61  -0.05800 -1.0 2.0
   50    51    55    61  -0.55150  1.0 3.0
   50    53    57    58   1.22000  1.0 1.0
   50    53    57    58   0.17300 -1.0 2.0
   51    50    53    54   1.00000 -1.0 2.0
   51    50    53    57  -0.01000  1.0 1.0
   51    50    53    57   1.29850 -1.0 2.0
   51    50    53    57  -0.09550  1.0 3.0
   51    55   -59    45   0.34400  1.0 1.0
   51    55   -59    45   0.09450 -1.0 2.0
   51    55   -59    45   0.11100  1.0 3.0
   51    55    59    60   0.15000  1.0 3.0
   51    55    59    62   1.05650  1.0 1.0
   51    55    59    62   0.15600 -1.0 2.0
   51    55    59    62   0.53150  1.0 3.0
   51    55    61    64   0.37500  1.0 3.0
   52    51    55    56   0.33100  1.0 3.0
   52    51    55    59   0.00000  1.0 1.0
   52    51    55    61   0.00000  1.0 1.0
   55    59    62    63  -0.11600  1.0 1.0
   55    59    62    63  -0.09450 -1.0 2.0
   55    59    62    63   0.21250  1.0 3.0
   55    61    64    65   0.00000  1.0 1.0
   55    61    64    66   0.91800  1.0 1.0
   55    61    64    66   0.22900 -1.0 2.0
   55    61    64    66   0.32050  1.0 3.0
   55    61    64    68   0.91800  1.0 1.0
   55    61    64    68   0.22900 -1.0 2.0
   55    61    64    68   0.32050  1.0 3.0
   56    55    59    45   0.15000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    62   0.23400  1.0 3.0
   56    55    61    64   0.03000  1.0 3.0
   59    45    47    48   0.15000  1.0 3.0
   59    45    47    49   0.15000  1.0 3.0
   59    45   -47    50   0.34400  1.0 1.0
   59    45   -47    50   0.09450 -1.0 2.0
   59    45   -47    50   0.11100  1.0 3.0
   59    55    61    64  -2.65550  1.0 1.0
   59    55    61    64  -0.22350 -1.0 2.0
   59    55    61    64   0.24150  1.0 3.0
   60    59    62    63   0.19450  1.0 3.0
   61    55    59    45   0.62750  1.0 1.0
   61    55    59    45  -0.30950 -1.0 2.0
   61    55    59    45   0.27300  1.0 3.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    62   3.69350  1.0 1.0
   61    55    59    62  -1.82950 -1.0 2.0
   61    64    66    67  -0.22900  1.0 1.0
   61    64    66    67   0.09450 -1.0 2.0
   61    64    66    67  -0.07800  1.0 3.0
   61    64    68    69  -0.22900  1.0 1.0
   61    64    68    69   0.09450 -1.0 2.0
   61    64    68    69  -0.07800  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    68    69   0.00000  1.0 1.0
   66    64    68    69  -0.22900  1.0 1.0
   66    64    68    69   0.09450 -1.0 2.0
   66    64    68    69  -0.07800  1.0 3.0
   68    64    66    67  -0.22900  1.0 1.0
   68    64    66    67   0.09450 -1.0 2.0
   68    64    66    67  -0.07800  1.0 3.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    55   7.00000 -1.0 2.0
   54    53    57    58   0.92200  1.0 1.0
   54    53    57    58   3.74100 -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
   38    30    36    37  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    43    40    39  15.00000 -1.0 2.0
   47    53    50    51   1.10000 -1.0 2.0
   55    52    51    50   1.10000 -1.0 2.0
   50    57    53    54  10.50000 -1.0 2.0
END
