* LIGAND DATABASE FILE (OPLS2005)
*
001      66    67    117    185     347
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02063   100.22954   -48.59770
    3     1 S   H    _H1_     3     1.02033    77.55174    58.47711
    4     1 S   H    _H2_     4     1.02133    37.61244  -155.93940
    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   CM   _C13    36     1.74067    98.78779   161.79113
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C11    37     1.34501   120.62767  -120.02377
   38    37 S   HC   _H27    38     1.08832   121.95919    -4.06419
   39    37 S   CM   _C10    39     1.44601   121.64857   177.02007
   40    39 S   HC   _H26    40     1.08517   116.81991  -162.03795
   41    39 S   CM   _C12    41     1.34404   121.67853    14.95069
   42    41 S   CT   _C14    42     1.51024   120.32992    -1.44401
   43    42 S   HC   _H28    43     1.08259   107.25981  -146.06883
   44    41 S   CT   _C16    50     1.49864   122.38418   177.33700
   45    44 S   HC   _H30    51     1.10275   104.62602   -30.01981
   46    33 S   CT   _C15    44     1.51843   119.41148    57.46495
   47    46 S   HC   _H29    45     1.12354   110.57557   -83.13079
   48    42 S   OH   _O15    48     1.42930   106.96393    98.62820
   49    48 S   HO   _H31    49     0.97015   106.54897   -60.02681
   50    44 S   CA   _C8_    52     1.53087   111.52344  -144.08698
   51    44 S   CT   _C17    63     1.56398   113.05543    84.96770
   52    51 S   Cl   CL19    64     1.80351   111.40737    35.87385
   53    51 S   Cl   CL20    65     1.79479   113.43675   157.75033
   54    51 S   Cl   CL21    66     1.80790   109.98380   -81.85380
   55    46 S   OH   _O16    46     1.42694   112.40766    34.83964
   56    55 S   HO   _H32    47     0.96810   106.18494   179.94405
   57    50 S   CA   _C4_    53     1.39533   119.96425    90.04453
   58    57 S   HA   _H22    54     1.08689   120.45550    -0.11364
   59    57 S   CA   _C6_    55     1.39439   119.97914   179.90721
   60    59 S   HA   _H24    56     1.08734   119.11967   179.98022
   61    59 S   CA   _C9_    57     1.39462   120.02256    -0.01978
   62    61 S   Cl   CL18    58     1.72076   120.01294  -180.00000
   63    61 S   CA   _C7_    59     1.39483   120.02072    -0.01978
   64    63 S   HA   _H25    60     1.08677   120.88130  -179.96574
   65    50 S   CA   _C5_    61     1.39462   120.03734   -90.07723
   66    65 S   HA   _H23    62     1.08683   120.43064     0.07402
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  12   2   1   1   9   4  10   3  16  11   6  14   7   5   3   2
   1  13   5   2   1   1   1   1   8   4   6   3   5   3   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    46    47    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    46    47    55    56    48  
   35    36  
   36  
    0  
   38    39    40    41    42    46    47    55    44  
   39    40    41    46  
   40    41    42    43    46    48    44    45    50    51  
   41    42    44  
   42    43    46    47    55    48    49    44    45    50    57    65    51    52    53    54  
   43    46    47    55    56    48    49    44    45    50    51  
   46    47    55    48    49    44  
   45    50    57    58    59    63    65    66    51    52    53    54    46    48  
   50    57    65    51    52    53    54  
   47    55    56    48    49  
   55    56    48  
   49    55  
    0  
   57    58    59    60    61    63    64    65    66    51    52    53    54  
   52    53    54    57    65  
   53    54  
   54  
    0  
   56  
    0  
   58    59    60    61    62    63    65    66  
   59    60    61    65  
   60    61    62    63    64    65  
   61    62    63  
   62    63    64    65    66  
   63    64    65  
   64    65    66  
   65    66  
   66  
    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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.313400   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.294400   1.9750   1.7500   0.005000000  -0.741685710
   52   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   53   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   54   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   549.000  1.340
   33    46   317.000  1.510
   37    38   340.000  1.080
   37    39   380.000  1.444
   39    40   340.000  1.080
   39    41   549.000  1.340
   41    42   317.000  1.510
   41    44   317.000  1.510
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    48   320.000  1.410
   46    47   340.000  1.090
   46    55   320.000  1.410
   55    56   553.000  0.945
   48    49   553.000  0.945
   44    45   340.000  1.090
   44    50   317.000  1.510
   44    51   268.000  1.529
   50    57   469.000  1.400
   50    65   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   300.000  1.725
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   51    52   245.000  1.781
   51    53   245.000  1.781
   51    54   245.000  1.781
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    46    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  123.01800
   33    46    42    70.00000  112.02700
   33    46    47    35.00000  109.50000
   33    46    55    90.00000  110.39200
   37    39    40    35.00000  120.00000
   37    39    41    70.00000  123.01800
   39    37    38    35.00000  120.00000
   39    41    42    70.00000  124.00000
   39    41    44    70.00000  124.00000
   41    39    40    35.00000  120.00000
   41    42    43    35.00000  109.50000
   41    42    46    70.00000  112.02700
   41    42    48    90.00000  110.39200
   41    44    45    35.00000  109.50000
   41    44    50    70.00000  112.99600
   41    44    51    70.00000  112.02700
   42    46    47    37.50000  110.70000
   42    46    55    50.00000  109.50000
   42    48    49    55.00000  108.50000
   46    33    37    70.00000  124.00000
   46    42    43    37.50000  110.70000
   46    55    56    55.00000  108.50000
   55    46    47    35.00000  109.50000
   48    42    43    35.00000  109.50000
   48    42    46    50.00000  109.50000
   44    41    42    65.00000  117.92700
   44    50    57    70.00000  120.00000
   44    50    65    70.00000  120.00000
   44    51    52    69.00000  109.80000
   44    51    53    69.00000  109.80000
   44    51    54    69.00000  109.80000
   50    44    45    35.00000  109.50000
   50    57    58    35.00000  120.00000
   50    57    59    63.00000  120.00000
   50    65    63    63.00000  120.00000
   50    65    66    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    75.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    75.00000  120.00000
   63    65    66    35.00000  120.00000
   65    50    57    63.00000  120.00000
   65    63    64    35.00000  120.00000
   51    44    45    37.50000  110.70000
   51    44    50    70.00000  112.17500
   53    51    52    80.00000  110.42200
   54    51    52    80.00000  110.42200
   54    51    53    80.00000  110.42200
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   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   1.00000 -1.0 2.0
   24    29    33    46   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    46    42   0.09700  1.0 1.0
   29    33    46    42   0.15600 -1.0 2.0
   29    33    46    42  -0.50800  1.0 3.0
   29    33    46    47   0.00000  1.0 1.0
   29    33    46    55   0.09700  1.0 1.0
   29    33    46    55   0.15600 -1.0 2.0
   29    33    46    55  -0.50800  1.0 3.0
   33    37    39    40  -0.18600  1.0 3.0
   33    37    39    41   0.28850  1.0 1.0
   33    37    39    41   2.61350 -1.0 2.0
   33    37    39    41   0.78400  1.0 3.0
   33    46    55    56  -0.07800  1.0 1.0
   33    46    55    56  -0.21500 -1.0 2.0
   33    46    55    56  -0.03150  1.0 3.0
   37    33    46    42   0.09850  1.0 1.0
   37    33    46    42   0.15250 -1.0 2.0
   37    33    46    42  -0.50650  1.0 3.0
   37    33    46    47   0.00000  1.0 1.0
   37    33    46    55   0.67800  1.0 1.0
   37    33    46    55   0.47050 -1.0 2.0
   37    33    46    55  -0.62500  1.0 3.0
   37    39   -41    42   7.00000 -1.0 2.0
   37    39    41    44   7.00000 -1.0 2.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    41  -0.18600  1.0 3.0
   39    41    42    43   0.00000  1.0 1.0
   39    41    42    46   0.09850  1.0 1.0
   39    41    42    46   0.15250 -1.0 2.0
   39    41    42    46  -0.50650  1.0 3.0
   39    41    42    48   0.67800  1.0 1.0
   39    41    42    48   0.47050 -1.0 2.0
   39    41    42    48  -0.62500  1.0 3.0
   39    41    44    45   0.00000  1.0 1.0
   39    41    44    50   1.44450  1.0 1.0
   39    41    44    50   0.06600 -1.0 2.0
   39    41    44    50   0.29250  1.0 3.0
   39    41    44    51   0.09850  1.0 1.0
   39    41    44    51   0.15250 -1.0 2.0
   39    41    44    51  -0.50650  1.0 3.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    44   7.00000 -1.0 2.0
   41    42   -46    33   0.31000  1.0 1.0
   41    42   -46    33   0.14700 -1.0 2.0
   41    42   -46    33   0.07550  1.0 3.0
   41    42    46    47   0.15000  1.0 3.0
   41    42    46    55   1.05650  1.0 1.0
   41    42    46    55   0.15600 -1.0 2.0
   41    42    46    55   0.53150  1.0 3.0
   41    42    48    49  -0.07800  1.0 1.0
   41    42    48    49  -0.21500 -1.0 2.0
   41    42    48    49  -0.03150  1.0 3.0
   41    44    50    57   0.18050 -1.0 2.0
   41    44    50    65   0.18050 -1.0 2.0
   41    44    51    52   0.56750  1.0 1.0
   41    44    51    52  -0.07550 -1.0 2.0
   41    44    51    52   0.20000  1.0 3.0
   41    44    51    53   0.56750  1.0 1.0
   41    44    51    53  -0.07550 -1.0 2.0
   41    44    51    53   0.20000  1.0 3.0
   41    44    51    54   0.56750  1.0 1.0
   41    44    51    54  -0.07550 -1.0 2.0
   41    44    51    54   0.20000  1.0 3.0
   42    41    44    45   0.34800  1.0 3.0
   42    41    44    50   0.09700  1.0 1.0
   42    41    44    50   0.15600 -1.0 2.0
   42    41    44    50  -0.50800  1.0 3.0
   42    41    44    51   0.46850  1.0 1.0
   42    41    44    51   0.08550 -1.0 2.0
   42    41    44    51   0.09800  1.0 3.0
   42    46    55    56  -0.11600  1.0 1.0
   42    46    55    56  -0.09450 -1.0 2.0
   42    46    55    56   0.21250  1.0 3.0
   43    42    46    33   0.15000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    55   0.23400  1.0 3.0
   43    42    48    49   0.19450  1.0 3.0
   46    33    37    38   7.00000 -1.0 2.0
   46    33   -37    39   7.00000 -1.0 2.0
   46    42    48    49  -0.11600  1.0 1.0
   46    42    48    49  -0.09450 -1.0 2.0
   46    42    48    49   0.21250  1.0 3.0
   47    46    55    56   0.19450  1.0 3.0
   48    42    46    33   1.05650  1.0 1.0
   48    42    46    33   0.15600 -1.0 2.0
   48    42    46    33   0.53150  1.0 3.0
   48    42    46    47   0.23400  1.0 3.0
   48    42    46    55   3.75450  1.0 1.0
   44    41    42    43   0.34800  1.0 3.0
   44    41    42    46   0.46850  1.0 1.0
   44    41    42    46   0.08550 -1.0 2.0
   44    41    42    46   0.09800  1.0 3.0
   44    41    42    48   0.18000  1.0 1.0
   44    41    42    48   0.16450 -1.0 2.0
   44    41    42    48   0.04450  1.0 3.0
   44    50    57    58   3.62500 -1.0 2.0
   44    50    57    59   3.62500 -1.0 2.0
   44    50    65    63   3.62500 -1.0 2.0
   44    50    65    66   3.62500 -1.0 2.0
   45    44    50    57   0.00000  1.0 1.0
   45    44    50    65   0.00000  1.0 1.0
   45    44    51    52   0.27000  1.0 3.0
   45    44    51    53   0.27000  1.0 3.0
   45    44    51    54   0.27000  1.0 3.0
   50    44    51    52   0.56750  1.0 1.0
   50    44    51    52  -0.07550 -1.0 2.0
   50    44    51    52   0.20000  1.0 3.0
   50    44    51    53   0.56750  1.0 1.0
   50    44    51    53  -0.07550 -1.0 2.0
   50    44    51    53   0.20000  1.0 3.0
   50    44    51    54   0.56750  1.0 1.0
   50    44    51    54  -0.07550 -1.0 2.0
   50    44    51    54   0.20000  1.0 3.0
   50    57    59    60   3.62500 -1.0 2.0
   50    57    59    61   3.62500 -1.0 2.0
   57    50    65    63   3.62500 -1.0 2.0
   57    50    65    66   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59   -61    63   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   59    61    63    65   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63   -65    50   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   64    63    65    50   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   65    50    57    58   3.62500 -1.0 2.0
   65    50   -57    59   3.62500 -1.0 2.0
   51    44    50    57   0.04150 -1.0 2.0
   51    44    50    65   0.04150 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   29    46    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   37    40    39    41   1.10000 -1.0 2.0
   42    44    41    39   1.10000 -1.0 2.0
   57    65    50    44   4.00000 -1.0 2.0
   59    58    57    50   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   63    62    61    59   4.00000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   63    66    65    50   1.10000 -1.0 2.0
END
