* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    132    196     379
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.80604    98.14668  -178.23764
   34    33 S   HC   _H4_    37     1.09626   109.40791   179.90109
   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   CM   _C13    38     1.51279   110.49380   -59.99259
   39    38 S   CM   _C14    39     1.34751   121.31507   111.96101
   40    38 S   CT   _C11    48     1.50980   115.16048   -71.09658
   41    40 S   HC   _H3_    49     1.08840   108.95527   -26.84229
   42    39 S   CM   _C15    40     1.44391   121.81566     0.26095
   43    42 S   HC   _H16    41     1.08630   117.87018  -175.91731
   44    39 S   OH   _O35    46     1.37589   125.28289  -178.94445
   45    44 S   HO   _H18    47     0.96392   110.01574   179.24775
   46    40 S   CM   _C10    50     1.47883   112.45394    97.70969
   47    46 S   HC   _H13    51     1.08113   125.12119   -62.06591
   48    42 S   CM   _C16    42     1.33689   122.96542     5.51654
   49    48 S   HC   _H17    43     1.08394   121.84974   178.38493
   50    46 S   CM   _C9_    52     1.33293   109.71580   119.23347
   51    33 S   CO4  _C17    44     1.52864   107.02091    64.72808
   52    51 S   O    _O34    45     1.23128   121.76148    67.69804
   53    50 S   CT   _C12    53     1.48460   109.70513    -0.80015
   54    53 S   HC   _H14    54     1.09446   112.01745   118.61421
   55    53 S   HC   _H15    55     1.09393   112.00234  -117.78645
   56    50 S   CT   _C8_    57     1.48249   127.99340   179.11640
   57    56 S   HC   _H11    58     1.09931   109.11673  -119.97682
   58    56 S   HC   _H12    59     1.09975   109.12607    -3.59494
   59    40 S   OS   _O33    56     1.43818   108.31169  -145.07596
   60    56 S   CT   _C7_    60     1.53161   112.15420   117.93988
   61    60 S   HC   _H9_    61     1.09418   110.19062    59.98473
   62    60 S   HC   _H10    62     1.09886   109.73828   175.82608
   63    60 S   CM   _C6_    63     1.50281   111.48361   -64.78018
   64    63 S   HC   _H8_    64     1.08955   114.19900   -57.20129
   65    63 S   CM   _C5_    65     1.34675   127.69662   123.83492
   66    65 S   CT   _C4_    66     1.50305   125.05359  -180.00000
   67    66 S   HC   _H5_    67     1.09503   110.06558    90.04526
   68    66 S   HC   _H6_    68     1.09231   113.47479   -31.11740
   69    66 S   HC   _H7_    69     1.09550   109.99278  -150.66309
   70    65 S   CT   _C19    70     1.50541   120.47872     0.65790
   71    70 S   HC   _H19    71     1.09524   110.23244    89.95365
   72    70 S   HC   _H20    72     1.09436   110.21846  -150.19958
   73    70 S   HC   _H21    73     1.09493   112.37996   -30.13017
  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   8   5   4   3
  13   6   2   1   1  15  11  12   5   7   4   2   1  10   4   3
   2  11   1   1   7   3   2   9   5   4   1   7   4   3  10   3
   8   7   3   2   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    51    52    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    48    49    51    52    44    40    41    46    59  
   38    39    48    51    52    40  
   36    37  
   37  
    0  
   39    42    43    48    51    52    44    45    40    41    46    47    50    53    59  
   42    43    48    49    51    44    45    40    41    46    59  
   41    46    47    50    53    54    55    59    56    42    44    51  
   46    47    50    53    59  
   43    48    49    51    52    44    45  
   48    49    51    44  
   45    48  
    0  
   47    50    53    54    55    59    56    57    58    60  
   50    53    59    56  
   49    51    52  
   51    52  
   53    54    55    59    56    57    58    60    61    62    63  
   52  
    0  
   54    55    59    56    57    58    60  
   55    59    56  
   59    56  
   57    58    60    61    62    63    64    65    59  
   58    60    61    62    63  
   60    61    62    63  
    0  
   61    62    63    64    65    66    70  
   62    63    64    65  
   63    64    65  
   64    65    66    67    68    69    70    71    72    73  
   65    66    70  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660   0.308000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    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  1.510
   33    51   317.000  1.522
   38    39   549.000  1.340
   38    40   317.000  1.510
   39    42   380.000  1.444
   39    44   510.000  1.338
   42    43   340.000  1.080
   42    48   549.000  1.340
   48    49   340.000  1.080
   48    51   320.000  1.462
   51    52   570.000  1.229
   44    45   553.000  0.945
   40    41   340.000  1.090
   40    46   317.000  1.510
   40    59   320.000  1.410
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    53   317.000  1.510
   50    56   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   317.000  1.510
   65    70   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    75.00000  112.20000
   29    33    51    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    51    48    65.00000  118.62400
   33    51    52    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    42    70.00000  123.01800
   38    39    44    80.00000  121.38400
   38    40    41    35.00000  109.50000
   38    40    46    70.00000  110.12100
   38    40    59    85.00000  110.90400
   39    42    43    35.00000  120.00000
   39    42    48    70.00000  123.01800
   39    44    45    70.00000  107.45700
   42    48    49    35.00000  120.00000
   42    48    51    65.00000  118.96000
   48    42    43    35.00000  120.00000
   48    51    52    80.00000  123.72100
   51    33    34    35.00000  109.50000
   51    33    38    70.00000  109.06800
   51    48    49    40.00000  117.72500
   44    39    42    80.00000  121.38400
   40    38    39    70.00000  124.00000
   40    46    47    35.00000  117.00000
   40    46    50    70.00000  124.00000
   40    59    53    60.00000  109.50000
   46    40    41    35.00000  109.50000
   46    50    53    70.00000  124.00000
   46    50    56    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    59    85.00000  110.90400
   50    56    57    35.00000  109.50000
   50    56    58    35.00000  109.50000
   50    56    60    70.00000  112.02700
   55    53    54    33.00000  107.80000
   59    40    41    35.00000  109.50000
   59    40    46    85.00000  110.90400
   59    53    54    35.00000  109.50000
   59    53    55    35.00000  109.50000
   56    50    53    65.00000  117.92700
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    70.00000  112.02700
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    63    64    35.00000  117.00000
   60    63    65    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    70.00000  124.00000
   63    65    70    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    69    35.00000  109.50000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    65    66    65.00000  117.92700
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    51    48   0.65300  1.0 1.0
   29    33    51    48  -0.03850 -1.0 2.0
   29    33    51    48   0.33900  1.0 3.0
   29    33    51    52   0.30150 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    46   0.09700  1.0 1.0
   33    38    40    46   0.15600 -1.0 2.0
   33    38    40    46  -0.50800  1.0 3.0
   33    38    40    59   0.09700  1.0 1.0
   33    38    40    59   0.15600 -1.0 2.0
   33    38    40    59  -0.50800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    51    48   0.00000  1.0 1.0
   34    33    51    52   0.00000  1.0 1.0
   38    33    51    48   0.65300  1.0 1.0
   38    33    51    48  -0.03850 -1.0 2.0
   38    33    51    48   0.33900  1.0 3.0
   38    33    51    52   0.30150 -1.0 2.0
   38    39    42    43  -0.18600  1.0 3.0
   38    39   -42    48   0.28850  1.0 1.0
   38    39   -42    48   2.61350 -1.0 2.0
   38    39   -42    48   0.78400  1.0 3.0
   38    39    44    45  -0.66100  1.0 1.0
   38    39    44    45   1.20850 -1.0 2.0
   38    39    44    45  -0.36000  1.0 3.0
   38    40    46    47   0.00000  1.0 1.0
   38    40    46    50  -0.28300  1.0 1.0
   38    40    46    50   0.26700 -1.0 2.0
   38    40    46    50  -0.63300  1.0 3.0
   38    40    59    53  -0.77900  1.0 1.0
   38    40    59    53  -0.36900 -1.0 2.0
   38    40    59    53   0.40400  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    46  -0.28300  1.0 1.0
   39    38    40    46   0.26700 -1.0 2.0
   39    38    40    46  -0.63300  1.0 3.0
   39    38    40    59   0.39000  1.0 1.0
   39    38    40    59  -0.05800 -1.0 2.0
   39    38    40    59  -0.55150  1.0 3.0
   39    42    48    49   7.00000 -1.0 2.0
   39    42    48    51   7.00000 -1.0 2.0
   42    39    44    45  -0.66100  1.0 1.0
   42    39    44    45   1.20850 -1.0 2.0
   42    39    44    45  -0.36000  1.0 3.0
   42    48   -51    33  -0.33500  1.0 1.0
   42    48   -51    33   1.06600 -1.0 2.0
   42    48   -51    33  -0.14000  1.0 3.0
   42    48    51    52   1.00000 -1.0 2.0
   43    42    48    49   7.00000 -1.0 2.0
   43    42    48    51   7.00000 -1.0 2.0
   49    48    51    33   0.04550  1.0 1.0
   49    48    51    33   0.83000 -1.0 2.0
   49    48    51    33  -0.04000  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   51    33   -38    39  -0.51250  1.0 1.0
   51    33   -38    39  -0.88800 -1.0 2.0
   51    33   -38    39   0.08850  1.0 3.0
   51    33    38    40   0.17250  1.0 1.0
   51    33    38    40  -0.04100 -1.0 2.0
   51    33    38    40  -0.33850  1.0 3.0
   44    39    42    43   0.00000  1.0 1.0
   44    39    42    48   0.50950  1.0 1.0
   44    39    42    48   0.56650 -1.0 2.0
   44    39    42    48   0.34050  1.0 3.0
   40    38    39    42   7.00000 -1.0 2.0
   40    38    39    44   7.00000 -1.0 2.0
   40    46   -50    53   7.00000 -1.0 2.0
   40    46    50    56   7.00000 -1.0 2.0
   41    40    46    47   0.33100  1.0 3.0
   41    40    46    50   0.00000  1.0 1.0
   41    40    59    53   0.37050  1.0 3.0
   46    40   -59    53  -0.77900  1.0 1.0
   46    40   -59    53  -0.36900 -1.0 2.0
   46    40   -59    53   0.40400  1.0 3.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50   -53    59   0.39000  1.0 1.0
   46    50   -53    59  -0.05800 -1.0 2.0
   46    50   -53    59  -0.55150  1.0 3.0
   46    50    56    57   0.00000  1.0 1.0
   46    50    56    58   0.00000  1.0 1.0
   46    50    56    60   0.09850  1.0 1.0
   46    50    56    60   0.15250 -1.0 2.0
   46    50    56    60  -0.50650  1.0 3.0
   47    46    50    53   7.00000 -1.0 2.0
   47    46    50    56   7.00000 -1.0 2.0
   50    53   -59    40  -0.77900  1.0 1.0
   50    53   -59    40  -0.36900 -1.0 2.0
   50    53   -59    40   0.40400  1.0 3.0
   50    56    60    61   0.15000  1.0 3.0
   50    56    60    62   0.15000  1.0 3.0
   50    56    60    63   0.31000  1.0 1.0
   50    56    60    63   0.14700 -1.0 2.0
   50    56    60    63   0.07550  1.0 3.0
   53    50    56    57   0.34800  1.0 3.0
   53    50    56    58   0.34800  1.0 3.0
   53    50    56    60   0.46850  1.0 1.0
   53    50    56    60   0.08550 -1.0 2.0
   53    50    56    60   0.09800  1.0 3.0
   54    53    59    40   0.37050  1.0 3.0
   55    53    59    40   0.37050  1.0 3.0
   59    40    46    47   0.00000  1.0 1.0
   59    40   -46    50   0.39000  1.0 1.0
   59    40   -46    50  -0.05800 -1.0 2.0
   59    40   -46    50  -0.55150  1.0 3.0
   56    50    53    54   0.34800  1.0 3.0
   56    50    53    55   0.34800  1.0 3.0
   56    50    53    59   0.09700  1.0 1.0
   56    50    53    59   0.15600 -1.0 2.0
   56    50    53    59  -0.50800  1.0 3.0
   56    60    63    64   0.00000  1.0 1.0
   56    60    63    65   0.09850  1.0 1.0
   56    60    63    65   0.15250 -1.0 2.0
   56    60    63    65  -0.50650  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    63   0.15000  1.0 3.0
   60    63    65    66   7.00000 -1.0 2.0
   60    63    65    70   7.00000 -1.0 2.0
   61    60    63    64   0.33100  1.0 3.0
   61    60    63    65   0.00000  1.0 1.0
   62    60    63    64   0.33100  1.0 3.0
   62    60    63    65   0.00000  1.0 1.0
   63    65    66    67   0.00000  1.0 1.0
   63    65    66    68   0.00000  1.0 1.0
   63    65    66    69   0.00000  1.0 1.0
   63    65    70    71   0.00000  1.0 1.0
   63    65    70    72   0.00000  1.0 1.0
   63    65    70    73   0.00000  1.0 1.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    70   7.00000 -1.0 2.0
   66    65    70    71   0.34800  1.0 3.0
   66    65    70    72   0.34800  1.0 3.0
   66    65    70    73   0.34800  1.0 3.0
   70    65    66    67   0.34800  1.0 3.0
   70    65    66    68   0.34800  1.0 3.0
   70    65    66    69   0.34800  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   1.10000 -1.0 2.0
   42    44    39    38   1.10000 -1.0 2.0
   39    43    42    48   1.10000 -1.0 2.0
   51    49    48    42   1.10000 -1.0 2.0
   33    48    51    52  10.50000 -1.0 2.0
   40    47    46    50   1.10000 -1.0 2.0
   53    56    50    46   1.10000 -1.0 2.0
   60    64    63    65  15.00000 -1.0 2.0
   66    70    65    63  15.00000 -1.0 2.0
END
