* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    128    189     361
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.80873    98.44118   -79.97775
   34    33 S   F    F1__    37     1.35995   110.19565    58.45507
   35    33 S   F    F2__    38     1.36042   110.15760   -58.51162
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   CA   _C15    39     1.48486   109.36858  -180.00000
   40    39 S   CA   _C14    40     1.34871   122.55346    88.53123
   41    40 S   HA   _H12    41     1.08531   121.48129     0.04846
   42    40 S   CA   _C13    42     1.44567   121.44015  -179.96574
   43    42 S   HA   _H11    43     1.08137   121.04838  -179.98022
   44    42 S   C56A _C12    44     1.45583   117.33346     0.01978
   45    44 S   C56B _C17    45     1.48097   119.76036    -0.04846
   46    39 S   CA   _C16    46     1.46388   116.48017   -91.39270
   47    46 S   HA   _H13    47     1.08579   118.17360    -0.08393
   48    45 S   N5B  _N6_    48     1.38140   110.88603  -179.97202
   49    48 S   CRA  _C11    49     1.30468   104.10241     0.01978
   50    44 S   NA   _N5_    50     1.27656   131.13506   180.00000
   51    50 S   H    _H10    51     1.01674   129.70542     0.04846
   52    49 S   S    _S1_    52     1.72933   123.88363  -180.00000
   53    52 S   CT   _C10    53     1.80810    99.64175   120.00929
   54    53 S   HC   _H8_    54     1.09528   108.79019   177.70663
   55    53 S   HC   _H9_    55     1.09562   108.73433    61.97944
   56    53 S   CA   _C9_    56     1.50360   112.11408   -60.04340
   57    56 S   CA   _C5_    57     1.38532   120.31476   -76.50395
   58    57 S   CA   _C6_    58     1.39042   117.94920  -179.89913
   59    57 S   CT   _C4_    69     1.49225   121.38592     0.06853
   60    59 S   HC   _H3_    70     1.09622   110.39027   -89.98785
   61    59 S   HC   _H4_    71     1.09700   111.28324    30.56609
   62    59 S   HC   _H5_    72     1.09780   111.25323   149.54832
   63    58 S   CA   _C7_    59     1.39072   119.67870     0.04846
   64    63 S   HA   _H6_    60     1.08520   121.28537   180.00000
   65    58 S   OS   _O33    64     1.36129   120.96866   179.97202
   66    63 S   CA   _C8_    61     1.38450   117.93583    -0.05234
   67    66 S   HA   _H7_    62     1.08568   120.81210  -179.97202
   68    65 S   CT   _C19    65     1.42648   117.07846  -180.00000
   69    68 S   HC   _H14    66     1.09278   109.53679  -179.98022
   70    68 S   HC   _H15    67     1.09317   109.51199    59.24376
   71    68 S   HC   _H16    68     1.09222   108.98292   -60.36951
   72    56 S   NB   _N4_    63     1.35191   115.66312   103.63521
  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
   9   4   3   2   1   1   9   8   4   8   3   8   7   4   1   5
   7   3   1   6   8   4   3  11  11  14   6   2   1   1   6   4
   5   2   1   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    46    47  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48  
   41    42    43    44    45    46    47    50  
   42    43    44    46  
   43    44    45    46    48    49    50    51  
   44    45    50  
   45    46    47    48    49    50    51    52  
   46    47    48    49    50    51    52  
   47    48    49    50  
   48  
   49    50    51    52    53  
   50    51    52    53    54    55    56  
   51    52    53  
   52  
   53    54    55    56    57    72  
   54    55    56    57    58    66    72    59  
   55    56    57    72  
   56    57    72  
   57    58    63    66    67    72    65    59    60    61    62  
   58    63    64    66    72    65    68    59    60    61    62  
   63    64    66    67    72    65    68    69    70    71    59    60    61    62  
   60    61    62    63    65    72  
   61    62  
   62  
    0  
   64    66    67    72    65    68  
   66    67    72    65  
   68    69    70    71    66  
   67    72  
   72  
   69    70    71  
   70    71  
   71  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.2500   0.0620   0.362500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   0.0700  -0.112600   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.181700   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.160700   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.329000   2.5000   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.198400   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.229900   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.498200   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.369600   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.209100   1.3810   1.2100   0.030040813   0.268726247
   48   3.2800   0.1700  -0.678700   1.8000   1.6000   0.001000000  -0.511443539
   49   3.5500   0.0700   0.631300   2.5000   1.7750   0.001000000  -0.843144165
   50   3.2500   0.1700  -0.625700   1.8000   1.6000   0.001000000  -0.511443539
   51   0.5000   0.0300   0.407200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   53   3.5000   0.0660   0.162500   2.4950   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.455000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.392000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.017000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   65   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    46   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   447.000  1.419
   44    50   428.000  1.380
   45    46   469.000  1.404
   45    48   425.000  1.391
   46    47   367.000  1.080
   48    49   488.000  1.335
   49    50   477.000  1.343
   49    52   245.000  1.755
   50    51   434.000  1.010
   52    53   222.000  1.810
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   317.000  1.510
   56    57   469.000  1.400
   56    72   483.000  1.339
   57    58   469.000  1.400
   57    59   317.000  1.510
   58    63   469.000  1.400
   58    65   450.000  1.364
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    67   367.000  1.080
   66    72   483.000  1.339
   65    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    46    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    46    45    63.00000  120.00000
   39    46    47    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    85.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    85.00000  122.70000
   42    44    50    70.00000  132.80000
   44    42    43    35.00000  120.00000
   44    45    46    85.00000  116.20000
   44    45    48    80.00000  112.17400
   44    50    49    90.00000  105.79800
   44    50    51    35.00000  123.10000
   45    46    47    35.00000  120.00000
   45    48    49    95.00000  105.97700
   46    39    40    63.00000  120.00000
   48    45    46    60.00000  127.02500
   48    49    50    70.00000  120.00000
   48    49    52    70.00000  126.12900
   49    50    51    35.00000  120.00000
   49    52    53    85.00000   97.05500
   50    44    45    70.00000  104.40000
   52    49    50    70.00000  123.45500
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    56    80.00000  109.48900
   53    56    57    70.00000  120.00000
   53    56    72    75.00000  115.74700
   55    53    54    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    35.00000  109.50000
   56    57    58    63.00000  120.00000
   56    57    59    70.00000  120.00000
   56    72    66    70.00000  117.00000
   57    58    63    63.00000  120.00000
   57    58    65    70.00000  120.00000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    35.00000  109.50000
   58    63    64    35.00000  120.00000
   58    63    66    63.00000  120.00000
   58    65    68    75.00000  111.00000
   63    66    67    35.00000  120.00000
   63    66    72    70.00000  124.00000
   66    63    64    35.00000  120.00000
   72    56    57    70.00000  124.00000
   72    66    67    35.00000  116.00000
   65    58    63    70.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   59    57    58    70.00000  120.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    46  -0.16000  1.0 1.0
   29    33    39    46  -0.03200 -1.0 2.0
   29    33    39    46   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    46    45   3.62500 -1.0 2.0
   33    39    46    47   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    46    45   3.62500 -1.0 2.0
   40    39    46    47   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    50   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.00000 -1.0 2.0
   42    44    45    48   3.62500 -1.0 2.0
   42    44    50    49   3.62500 -1.0 2.0
   42    44    50    51   1.52500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    50   3.62500 -1.0 2.0
   44    45   -46    39   3.50000 -1.0 2.0
   44    45    46    47   3.50000 -1.0 2.0
   44    45   -48    49   3.62500 -1.0 2.0
   45    44   -50    49   3.62500 -1.0 2.0
   45    44    50    51   1.52500 -1.0 2.0
   45    48   -49    50   3.62500 -1.0 2.0
   45    48    49    52   3.62500 -1.0 2.0
   46    39    40    41   3.62500 -1.0 2.0
   46    39   -40    42   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   48    45    46    39   3.62500 -1.0 2.0
   48    45    46    47   3.62500 -1.0 2.0
   48    49   -50    44   3.62500 -1.0 2.0
   48    49    50    51   2.32500 -1.0 2.0
   48    49    52    53   0.63150 -1.0 2.0
   49    52    53    54   0.24000  1.0 3.0
   49    52    53    55   0.24000  1.0 3.0
   49    52    53    56   0.00000  1.0 1.0
   50    44    45    46   3.00000 -1.0 2.0
   50    44   -45    48   3.62500 -1.0 2.0
   50    49    52    53   0.63150 -1.0 2.0
   52    49    50    44   3.62500 -1.0 2.0
   52    49    50    51   2.00000 -1.0 2.0
   52    53    56    57  -0.16000  1.0 1.0
   52    53    56    57  -0.03200 -1.0 2.0
   52    53    56    57   0.04500  1.0 3.0
   52    53    56    72   0.04300 -1.0 2.0
   53    56    57    58   3.62500 -1.0 2.0
   53    56    57    59   3.62500 -1.0 2.0
   53    56    72    66   3.62500 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    72   0.00000  1.0 1.0
   55    53    56    57   0.00000  1.0 1.0
   55    53    56    72   0.00000  1.0 1.0
   56    57    58    63   3.62500 -1.0 2.0
   56    57    58    65   3.62500 -1.0 2.0
   56    57    59    60   0.00000  1.0 1.0
   56    57    59    61   0.00000  1.0 1.0
   56    57    59    62   0.00000  1.0 1.0
   57    56    72    66   3.62500 -1.0 2.0
   57    58    63    64   3.62500 -1.0 2.0
   57    58   -63    66   3.62500 -1.0 2.0
   57    58    65    68   1.63200 -1.0 2.0
   58    57    59    60   0.00000  1.0 1.0
   58    57    59    61   0.00000  1.0 1.0
   58    57    59    62   0.00000  1.0 1.0
   58    63    66    67   3.62500 -1.0 2.0
   58    63    66    72   3.62500 -1.0 2.0
   58    65    68    69   0.08050  1.0 3.0
   58    65    68    70   0.08050  1.0 3.0
   58    65    68    71   0.08050  1.0 3.0
   63    58    65    68   1.63200 -1.0 2.0
   63    66   -72    56   3.62500 -1.0 2.0
   64    63    66    67   3.62500 -1.0 2.0
   64    63    66    72   3.62500 -1.0 2.0
   67    66    72    56   3.62500 -1.0 2.0
   72    56   -57    58   3.62500 -1.0 2.0
   72    56    57    59   3.62500 -1.0 2.0
   65    58    63    64   3.62500 -1.0 2.0
   65    58    63    66   3.62500 -1.0 2.0
   59    57    58    63   3.62500 -1.0 2.0
   59    57    58    65   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
   37    30    36    38  10.50000 -1.0 2.0
   40    46    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    50    44    42   4.00000 -1.0 2.0
   46    48    45    44   4.00000 -1.0 2.0
   45    47    46    39   1.10000 -1.0 2.0
   50    52    49    48   4.00000 -1.0 2.0
   51    44    50    49   1.00000 -1.0 2.0
   57    72    56    53   4.00000 -1.0 2.0
   58    59    57    56   4.00000 -1.0 2.0
   63    65    58    57   4.00000 -1.0 2.0
   66    64    63    58   1.10000 -1.0 2.0
   72    67    66    63   1.10000 -1.0 2.0
END
