* LIGAND DATABASE FILE (OPLS2005)
*
001      67    70    122    201     357
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02026    83.44671    50.34612
    3     1 S   H    _H1_     3     1.02109    34.39615  -172.09624
    4     1 S   H    _H2_     4     1.02038    96.23666   -57.85271
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C16    36     1.81555    98.34886  -178.18501
   34    33 S   HC   _H3_    37     1.09435   109.76944   -40.21178
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   C    _C17    38     1.51484   107.71043  -160.01625
   39    38 S   O    _O34    39     1.21397   131.21193    67.33937
   40    38 S   N    _N4_    40     1.54463   108.54865  -109.56269
   41    40 S   CA   _C13    41     1.27296   126.58140   175.85707
   42    40 S   C    _C14    63     1.54154   106.79904    -3.79994
   43    42 S   O    _O33    64     1.21353   120.48650   177.72772
   44    41 S   CA   _C12    42     1.47975   120.78391  -179.52687
   45    44 S   HA   _H9_    43     1.08389   119.27541    -0.04423
   46    33 S   CT   _C15    65     1.56151   111.65965    82.70668
   47    46 S   HC   _H10    66     1.09362   113.54863   -18.14531
   48    46 S   HC   _H11    67     1.09522   109.36240  -139.97922
   49    44 S   CA   _C11    44     1.34029   119.70997   179.89532
   50    49 S   HA   _H8_    45     1.08288   117.03202  -179.98022
   51    49 S   CA   _C10    46     1.46609   122.23791     0.01978
   52    51 S   CA   _C8_    47     1.35705   123.76550  -179.90721
   53    51 S   CA   _C19    60     1.46000   117.62369     0.06256
   54    52 S   CA   _C9_    48     1.47533   123.16006     0.07913
   55    54 S   HA   _H7_    49     1.08254   121.13595    -0.11191
   56    41 S   CA   _C18    61     1.48124   120.79564     0.45500
   57    56 S   HA   _H12    62     1.08575   118.71532     0.12195
   58    54 S   CA   _C4_    50     1.34260   121.18161  -180.00000
   59    58 S   HA   _H4_    51     1.08531   120.64371   179.97202
   60    58 S   CA   _C5_    52     1.44349   121.73237    -0.08156
   61    60 S   HA   _H5_    53     1.08474   117.87434   180.00000
   62    60 S   CA   _C6_    54     1.34302   121.37235     0.07402
   63    62 S   HA   _H6_    55     1.08599   118.56055   180.00000
   64    52 S   CA   _C7_    56     1.49454   119.58864   180.00000
   65    64 S   CO4  _C20    57     1.36823   121.97381     0.06853
   66    65 S   O    _O36    58     1.26988   125.65035  -180.00000
   67    65 S   OS   _O35    59     1.41113   116.35625    -0.06256
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  10   7   2   1   1  10   4  12  12   6   3   8   4   2   1   1
   8   3  11  13   7   8   4   3   1   6   3   5   3   5   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48  
   38    39    40    42    46    47    48  
   36    37  
   37  
    0  
   39    40    41    44    56    42    43    46    47    48  
   40    41    42    46  
   41    44    45    49    53    56    57    42    43    46    47    48  
   44    45    49    50    51    67    53    56    57    42    43    46  
   43    46    47    48    44    56  
   46    47    48  
   45    49    50    51    52    53    56    57  
   49    50    51    56  
   47    48  
   48  
    0  
   50    51    52    54    64    67    53    56  
   51    52    53  
   52    54    55    58    62    64    65    67    53    56    57  
   54    55    58    59    60    62    63    64    65    66    67    53    56  
   56    57    54    64    65    66    67  
   55    58    59    60    61    62    64    65  
   58    59    60    64  
   57    65    67  
   67  
   59    60    61    62    63    64  
   60    61    62  
   61    62    63    64    65  
   62    63    64  
   63    64    65    66    67  
   64    65  
   65    66    67  
   66    67  
   67  
    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   3.5000   0.0660  -0.052500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.2500   0.1700  -0.206700   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   42   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    46   268.000  1.529
   38    39   570.000  1.229
   38    40   490.000  1.335
   40    41   360.000  1.404
   40    42   490.000  1.335
   41    44   469.000  1.400
   41    56   469.000  1.400
   44    45   367.000  1.080
   44    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   375.000  1.464
   51    53   469.000  1.400
   52    54   469.000  1.400
   52    64   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   310.000  1.470
   65    66   570.000  1.229
   65    67   214.000  1.327
   67    53   450.000  1.364
   53    56   469.000  1.400
   56    57   367.000  1.080
   42    43   570.000  1.229
   42    46   317.000  1.522
   46    47   340.000  1.090
   46    48   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    70.00000  112.33000
   29    33    46    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    70.00000  116.60000
   33    46    42    63.00000  111.10000
   33    46    47    37.50000  110.70000
   33    46    48    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  121.96500
   38    40    42    70.00000  121.37400
   40    38    39    80.00000  122.90000
   40    41    44    70.00000  119.01900
   40    41    56    70.00000  119.01900
   40    42    43    80.00000  122.90000
   40    42    46    70.00000  116.60000
   41    44    45    35.00000  120.00000
   41    44    49    63.00000  120.00000
   41    56    53    63.00000  120.00000
   41    56    57    35.00000  120.00000
   44    49    50    35.00000  120.00000
   44    49    51    63.00000  120.00000
   49    44    45    35.00000  120.00000
   49    51    52    60.00000  122.76000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    52    54    60.00000  122.76000
   51    52    64    60.00000  122.76000
   51    53    67    70.00000  120.00000
   51    53    56    63.00000  120.00000
   52    54    55    35.00000  120.00000
   52    54    58    63.00000  120.00000
   52    64    62    63.00000  120.00000
   52    64    65    60.00000  119.52600
   54    58    59    35.00000  120.00000
   54    58    60    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    60.00000  119.52600
   64    52    54    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    65    66    75.00000  123.78400
   64    65    67    81.00000  111.40000
   65    67    53    85.00000  115.98000
   67    65    66    83.00000  123.40000
   67    53    56    70.00000  120.00000
   53    51    52    60.00000  122.76000
   53    56    57    35.00000  120.00000
   56    41    44    63.00000  120.00000
   42    40    41    65.00000  121.96500
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    63.00000  111.10000
   46    42    43    80.00000  120.40000
   48    46    47    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    46    42   0.56750  1.0 1.0
   29    33    46    42  -0.07550 -1.0 2.0
   29    33    46    42   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.15000  1.0 3.0
   33    38    40    41   0.76000  1.0 1.0
   33    38    40    41   4.11600 -1.0 2.0
   33    38   -40    42   2.45000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    42  -0.11250  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    42   0.11950  1.0 1.0
   38    33   -46    42   0.20300 -1.0 2.0
   38    33   -46    42  -0.70800  1.0 3.0
   38    33    46    47  -0.11250  1.0 3.0
   38    33    46    48  -0.11250  1.0 3.0
   38    40    41    44   1.00100  1.0 1.0
   38    40    41    44   0.85050 -1.0 2.0
   38    40    41    56   1.00100  1.0 1.0
   38    40    41    56   0.85050 -1.0 2.0
   38    40    42    43   2.22250 -1.0 2.0
   38    40   -42    46   2.45000 -1.0 2.0
   39    38    40    41   0.04000 -1.0 2.0
   39    38    40    42   2.22250 -1.0 2.0
   40    41    44    45   3.62500 -1.0 2.0
   40    41    44    49   3.62500 -1.0 2.0
   40    41    56    53   3.62500 -1.0 2.0
   40    41    56    57   3.62500 -1.0 2.0
   40    42   -46    33   1.39750  1.0 1.0
   40    42   -46    33  -0.07950 -1.0 2.0
   40    42   -46    33  -0.18750  1.0 3.0
   40    42    46    47   0.00000  1.0 1.0
   40    42    46    48   0.00000  1.0 1.0
   41    40    42    43   0.04000 -1.0 2.0
   41    40    42    46   0.76000  1.0 1.0
   41    40    42    46   4.11600 -1.0 2.0
   41    44    49    50   3.62500 -1.0 2.0
   41    44    49    51   3.62500 -1.0 2.0
   44    41    56    53   3.62500 -1.0 2.0
   44    41    56    57   3.62500 -1.0 2.0
   44    49    51    52   3.62500 -1.0 2.0
   44    49   -51    53   3.62500 -1.0 2.0
   45    44    49    50   3.62500 -1.0 2.0
   45    44    49    51   3.62500 -1.0 2.0
   49    51    52    54  -0.19450  1.0 1.0
   49    51    52    54   0.63300 -1.0 2.0
   49    51    52    54   0.07450  1.0 3.0
   49    51    52    64  -0.19450  1.0 1.0
   49    51    52    64   0.63300 -1.0 2.0
   49    51    52    64   0.07450  1.0 3.0
   49    51    53    67   3.62500 -1.0 2.0
   49    51    53    56   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    52    54    55   3.62500 -1.0 2.0
   51    52    54    58   3.62500 -1.0 2.0
   51    52    64    62   3.62500 -1.0 2.0
   51    52    64    65   3.62500 -1.0 2.0
   51    53   -56    41   3.62500 -1.0 2.0
   51    53    56    57   3.62500 -1.0 2.0
   52    51    53    67   3.62500 -1.0 2.0
   52    51    53    56   3.62500 -1.0 2.0
   52    54    58    59   3.62500 -1.0 2.0
   52    54    58    60   3.62500 -1.0 2.0
   52    64    65    66   1.05000 -1.0 2.0
   52    64   -65    67   0.98750 -1.0 2.0
   54    52    64    62   3.62500 -1.0 2.0
   54    52    64    65   3.62500 -1.0 2.0
   54    58    60    61   3.62500 -1.0 2.0
   54    58   -60    62   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    60   3.62500 -1.0 2.0
   58    60    62    63   3.62500 -1.0 2.0
   58    60    62    64   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    62   -64    52   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64    65    66   1.05000 -1.0 2.0
   62    64    65    67   0.98750 -1.0 2.0
   63    62    64    52   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    52    54    55   3.62500 -1.0 2.0
   64    52   -54    58   3.62500 -1.0 2.0
   64    65    67    53   2.00000 -1.0 2.0
   65    67   -53    51   0.01300  1.0 1.0
   65    67   -53    51   0.97950 -1.0 2.0
   65    67   -53    51  -0.55700  1.0 3.0
   65    67    53    56   0.01300  1.0 1.0
   65    67    53    56   0.97950 -1.0 2.0
   65    67    53    56  -0.55700  1.0 3.0
   66    65    67    53   3.00000 -1.0 2.0
   67    53    56    41   3.62500 -1.0 2.0
   67    53    56    57   3.62500 -1.0 2.0
   53    51    52    54  -0.19450  1.0 1.0
   53    51    52    54   0.63300 -1.0 2.0
   53    51    52    54   0.07450  1.0 3.0
   53    51   -52    64  -0.19450  1.0 1.0
   53    51   -52    64   0.63300 -1.0 2.0
   53    51   -52    64   0.07450  1.0 3.0
   56    41    44    45   3.62500 -1.0 2.0
   56    41   -44    49   3.62500 -1.0 2.0
   42    40    41    44   1.00100  1.0 1.0
   42    40    41    44   0.85050 -1.0 2.0
   42    40    41    56   1.00100  1.0 1.0
   42    40    41    56   0.85050 -1.0 2.0
   43    42    46    33   0.30150 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   46    33    38    39   0.30150 -1.0 2.0
   46    33   -38    40   1.39750  1.0 1.0
   46    33   -38    40  -0.07950 -1.0 2.0
   46    33   -38    40  -0.18750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   42    38    40    41   1.00000 -1.0 2.0
   44    56    41    40   4.00000 -1.0 2.0
   49    45    44    41   1.10000 -1.0 2.0
   51    50    49    44   1.10000 -1.0 2.0
   52    53    51    49   4.00000 -1.0 2.0
   54    64    52    51   4.00000 -1.0 2.0
   58    55    54    52   1.10000 -1.0 2.0
   60    59    58    54   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   62    65    64    52   4.00000 -1.0 2.0
   64    67    65    66  10.50000 -1.0 2.0
   67    56    53    51   4.00000 -1.0 2.0
   53    57    56    41   1.10000 -1.0 2.0
   40    46    42    43  10.50000 -1.0 2.0
END
