* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    133    207     390
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02088   103.62445   -38.09327
    3     1 S   H    _H1_     3     1.02038    70.78171    67.28369
    4     1 S   H    _H2_     4     1.02125    42.61805  -141.00639
    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   _C14    36     1.80850    98.55846   161.82874
   34    33 S   HC   _H14    37     1.09470   109.17394   -59.07300
   35    33 S   HC   _H15    38     1.09435   109.29840    58.78104
   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   CM   _C12    39     1.48389   110.12298  -179.97202
   40    39 S   CM   _C13    40     1.33966   128.82134   -89.68730
   41    40 S   OS   _O33    41     1.39911   114.24493  -177.25198
   42    40 S   OH   _O34    70     1.36580   124.88549     0.60941
   43    42 S   HO   _H13    71     0.96668   110.57672   179.96044
   44    41 S   CT   _C8_    42     1.44249   102.27647   -20.21182
   45    44 S   HC   _H4_    43     1.10317   106.34307   -84.20742
   46    44 S   CT   _C7_    44     1.53747   113.35957   155.53662
   47    46 S   HC   _H3_    45     1.09831   110.64940   -74.33418
   48    39 S   CT   _C9_    54     1.49668   123.89942    95.96168
   49    48 S   HC   _H5_    55     1.10037   106.50617    82.20869
   50    46 S   CM   _C6_    46     1.52123   110.71680   163.78996
   51    50 S   CM   _C5_    47     1.34786   128.42016    57.07688
   52    50 S   CO4  _C17    60     1.49797   105.77862  -120.68957
   53    52 S   O    _O35    61     1.21611   128.17082   176.30265
   54    51 S   CT   _C11    48     1.51842   122.38589    -0.57743
   55    54 S   HC   _H11    49     1.09773   109.07653    68.89265
   56    54 S   HC   _H12    50     1.09842   108.97118  -176.71681
   57    51 S   CT   _C4_    56     1.50924   125.07706   178.19311
   58    57 S   HC   _H6_    57     1.08472   109.04063    90.04605
   59    57 S   HC   _H7_    58     1.08493   109.07721   -30.23171
   60    57 S   HC   _H8_    59     1.08534   109.02941  -149.83647
   61    52 S   CM   _C16    62     1.46886   108.79684    -2.85135
   62    61 S   HC   _H16    63     1.07797   124.06183  -176.62780
   63    54 S   CT   _C10    51     1.53330   115.80495   -56.70483
   64    63 S   HC   _H9_    52     1.09661   107.57791  -164.85875
   65    63 S   HC   _H10    53     1.09731   110.54242   -48.99690
   66    46 S   CM   _C15    64     1.51120   114.75297    47.41056
   67    66 S   CT   _C18    65     1.49193   122.36946   -65.62810
   68    67 S   HC   _H17    66     1.09156   110.47553  -174.93875
   69    67 S   HC   _H18    67     1.09157   109.80029    64.77624
   70    67 S   OH   _O36    68     1.41851   110.01301   -54.62965
   71    70 S   HO   _H19    69     0.97151   106.89171   179.95154
  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
  10   4   3   2   1   1  13   9  11   3   1  15   7  17   7  10
   4  15  14   7   3   9   5   4   4   2   1   1   6   2   2   1
   1   5   4   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    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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    63    48    49    42  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    44    45    46    54    63    64    65    48    49    42    43  
   41    44    45    46    63    48    49    42    43  
   44    45    46    47    50    63    48    49    66    42    43  
   43    44    48  
    0  
   45    46    47    50    51    54    63    64    65    48    49    52    61    66    67  
   46    47    50    63    48    49    66  
   47    50    51    54    63    48    49    57    52    53    61    62    66    67    68    69    70  
   50    51    48    52    61    66    67  
   49    66    50    51    54    55    56    63    64    65  
   54    63    64    65  
   51    54    55    56    63    57    58    59    60    52    53    61    62    66    67  
   54    55    56    63    64    65    57    58    59    60    52    53    61    66  
   53    61    62    66    67    54    57  
   61    62    66  
   55    56    63    64    65    57    58    59    60  
   56    63    64    65    57  
   63    64    65    57  
   58    59    60    63  
   59    60  
   60  
    0  
   62    66    67    68    69    70  
   66    67  
   64    65  
   65  
    0  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   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   549.000  1.340
   39    48   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    66   317.000  1.510
   50    51   549.000  1.340
   50    52   320.000  1.462
   51    54   317.000  1.510
   51    57   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    48   268.000  1.529
   48    49   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   52    53   570.000  1.229
   52    61   320.000  1.462
   61    62   340.000  1.080
   61    66   549.000  1.340
   66    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   320.000  1.410
   70    71   553.000  0.945
   42    43   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    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    48    44    70.00000  112.02700
   39    48    63    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    66    70.00000  112.02700
   44    48    63    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    70.00000  124.00000
   46    50    52    65.00000  116.34900
   46    66    61    70.00000  124.00000
   46    66    67    65.00000  117.92700
   50    46    47    35.00000  109.50000
   50    51    54    70.00000  124.00000
   50    51    57    70.00000  124.00000
   50    52    53    80.00000  123.72100
   50    52    61    65.00000  118.65900
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    63    70.00000  112.02700
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    35.00000  109.50000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    48    58.35000  112.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    48    49    37.50000  110.70000
   65    63    64    33.00000  107.80000
   48    39    40    70.00000  124.00000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    63    64    37.50000  110.70000
   48    63    65    37.50000  110.70000
   57    51    54    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   52    50    51    65.00000  118.96000
   52    61    62    40.00000  117.72500
   52    61    66    65.00000  118.96000
   61    52    53    80.00000  123.72100
   61    66    67    70.00000  124.00000
   66    46    47    35.00000  109.50000
   66    46    50    70.00000  110.12100
   66    61    62    35.00000  120.00000
   66    67    68    35.00000  109.50000
   66    67    69    35.00000  109.50000
   66    67    70    90.00000  110.39200
   67    70    71    55.00000  108.50000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   42    40    41   115.00000  116.36000
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    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    44   0.46850  1.0 1.0
   33    39    48    44   0.08550 -1.0 2.0
   33    39    48    44   0.09800  1.0 3.0
   33    39    48    63   0.46850  1.0 1.0
   33    39    48    63   0.08550 -1.0 2.0
   33    39    48    63   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39   -48    44   0.09850  1.0 1.0
   40    39   -48    44   0.15250 -1.0 2.0
   40    39   -48    44  -0.50650  1.0 3.0
   40    39    48    63   0.09850  1.0 1.0
   40    39    48    63   0.15250 -1.0 2.0
   40    39    48    63  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.46850  1.0 1.0
   40    41    44    46   0.09300 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41   -44    48  -0.46850  1.0 1.0
   40    41   -44    48   0.09300 -1.0 2.0
   40    41   -44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    50   0.61850  1.0 1.0
   41    44    46    50  -0.22750 -1.0 2.0
   41    44    46    50   0.15300  1.0 3.0
   41    44    46    66   0.61850  1.0 1.0
   41    44    46    66  -0.22750 -1.0 2.0
   41    44    46    66   0.15300  1.0 3.0
   41    44   -48    39   0.61850  1.0 1.0
   41    44   -48    39  -0.22750 -1.0 2.0
   41    44   -48    39   0.15300  1.0 3.0
   41    44    48    63   0.62750  1.0 1.0
   41    44    48    63  -0.30950 -1.0 2.0
   41    44    48    63   0.27300  1.0 3.0
   41    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.09850  1.0 1.0
   44    46    50    51   0.15250 -1.0 2.0
   44    46    50    51  -0.50650  1.0 3.0
   44    46    50    52   0.09700  1.0 1.0
   44    46    50    52   0.15600 -1.0 2.0
   44    46    50    52  -0.50800  1.0 3.0
   44    46    66    61   0.09850  1.0 1.0
   44    46    66    61   0.15250 -1.0 2.0
   44    46    66    61  -0.50650  1.0 3.0
   44    46    66    67   0.46850  1.0 1.0
   44    46    66    67   0.08550 -1.0 2.0
   44    46    66    67   0.09800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    66   0.15000  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    63   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    63   0.56750  1.0 1.0
   46    44    48    63  -0.07550 -1.0 2.0
   46    44    48    63   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    54   7.00000 -1.0 2.0
   46    50    51    57   7.00000 -1.0 2.0
   46    50    52    53  -0.64400  1.0 1.0
   46    50    52    53   0.26850 -1.0 2.0
   46    50   -52    61   1.50000 -1.0 2.0
   46    66    67    68   0.34800  1.0 3.0
   46    66    67    69   0.34800  1.0 3.0
   46    66    67    70   0.18000  1.0 1.0
   46    66    67    70   0.16450 -1.0 2.0
   46    66    67    70   0.04450  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    66    61   0.00000  1.0 1.0
   47    46    66    67   0.34800  1.0 3.0
   50    46   -66    61  -0.28300  1.0 1.0
   50    46   -66    61   0.26700 -1.0 2.0
   50    46   -66    61  -0.63300  1.0 3.0
   50    46    66    67   0.09700  1.0 1.0
   50    46    66    67   0.15600 -1.0 2.0
   50    46    66    67  -0.50800  1.0 3.0
   50    51    54    55   0.00000  1.0 1.0
   50    51    54    56   0.00000  1.0 1.0
   50    51    54    63   0.09850  1.0 1.0
   50    51    54    63   0.15250 -1.0 2.0
   50    51    54    63  -0.50650  1.0 3.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    59   0.00000  1.0 1.0
   50    51    57    60   0.00000  1.0 1.0
   50    52    61    62   0.93700 -1.0 2.0
   50    52   -61    66  -1.18350  1.0 1.0
   50    52   -61    66   1.45950 -1.0 2.0
   51    50    52    53   1.00000 -1.0 2.0
   51    50    52    61  -1.18350  1.0 1.0
   51    50    52    61   1.45950 -1.0 2.0
   51    54    63    64   0.15000  1.0 3.0
   51    54    63    65   0.15000  1.0 3.0
   51    54    63    48   0.34400  1.0 1.0
   51    54    63    48   0.09450 -1.0 2.0
   51    54    63    48   0.11100  1.0 3.0
   54    51    57    58   0.34800  1.0 3.0
   54    51    57    59   0.34800  1.0 3.0
   54    51    57    60   0.34800  1.0 3.0
   54    63    48    39   0.34400  1.0 1.0
   54    63    48    39   0.09450 -1.0 2.0
   54    63    48    39   0.11100  1.0 3.0
   54    63    48    44   0.56750  1.0 1.0
   54    63    48    44  -0.07550 -1.0 2.0
   54    63    48    44   0.20000  1.0 3.0
   54    63    48    49   0.15000  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    65   0.15000  1.0 3.0
   55    54    63    48   0.15000  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    65   0.15000  1.0 3.0
   56    54    63    48   0.15000  1.0 3.0
   64    63    48    39   0.15000  1.0 3.0
   64    63    48    44   0.15000  1.0 3.0
   64    63    48    49   0.15000  1.0 3.0
   65    63    48    39   0.15000  1.0 3.0
   65    63    48    44   0.15000  1.0 3.0
   65    63    48    49   0.15000  1.0 3.0
   48    39   -40    41   7.00000 -1.0 2.0
   48    39    40    42   7.00000 -1.0 2.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44    46    66   0.34400  1.0 1.0
   48    44    46    66   0.09450 -1.0 2.0
   48    44    46    66   0.11100  1.0 3.0
   57    51    54    55   0.34800  1.0 3.0
   57    51    54    56   0.34800  1.0 3.0
   57    51    54    63   0.46850  1.0 1.0
   57    51    54    63   0.08550 -1.0 2.0
   57    51    54    63   0.09800  1.0 3.0
   52    50    51    54   7.00000 -1.0 2.0
   52    50    51    57   7.00000 -1.0 2.0
   52    61   -66    46   7.00000 -1.0 2.0
   52    61    66    67   7.00000 -1.0 2.0
   53    52    61    62   0.00000  1.0 1.0
   53    52    61    66   1.00000 -1.0 2.0
   61    66    67    68   0.00000  1.0 1.0
   61    66    67    69   0.00000  1.0 1.0
   61    66    67    70   0.67800  1.0 1.0
   61    66    67    70   0.47050 -1.0 2.0
   61    66    67    70  -0.62500  1.0 3.0
   62    61    66    46   7.00000 -1.0 2.0
   62    61    66    67   7.00000 -1.0 2.0
   66    46    50    51  -0.28300  1.0 1.0
   66    46    50    51   0.26700 -1.0 2.0
   66    46    50    51  -0.63300  1.0 3.0
   66    46   -50    52   0.09700  1.0 1.0
   66    46   -50    52   0.15600 -1.0 2.0
   66    46   -50    52  -0.50800  1.0 3.0
   66    67    70    71  -0.07800  1.0 1.0
   66    67    70    71  -0.21500 -1.0 2.0
   66    67    70    71  -0.03150  1.0 3.0
   68    67    70    71   0.19450  1.0 3.0
   69    67    70    71   0.19450  1.0 3.0
   42    40    41    44   2.00000 -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
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   46    52    50    51   1.10000 -1.0 2.0
   54    57    51    50   1.10000 -1.0 2.0
   50    61    52    53  10.50000 -1.0 2.0
   52    62    61    66   1.10000 -1.0 2.0
   46    67    66    61   1.10000 -1.0 2.0
END
