* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    240     432
    1     0 S   NP   _N1_     1    28.96138    93.02999   -21.19301
    2     1 S   H    _HN1     2     1.02777    95.48620   -67.81220
    3     1 S   H    _H1_     3     1.02969    95.83723    41.28972
    4     1 S   H    _H2_     4     1.02834    21.13584   164.75041
    5     1 S   CT   _CA1     5     1.50128   131.88309   165.49246
    6     5 S   HC   _HA1     6     1.09578   105.22870    58.83224
    7     5 S   CO3  _C1_     7     1.53774   112.40674   -61.31534
    8     7 S   O2Z  _O11     8     1.26349   115.00508   -43.48288
    9     7 S   O2Z  _O12     9     1.26242   114.91421   135.70853
   10     5 S   CT   _CB1    10     1.53095   107.40959   176.67092
   11    10 S   HC   HB11    11     1.09823   109.23291   -51.50948
   12    10 S   HC   HB12    12     1.09828   110.43902    64.97813
   13    10 S   CT   _CG1    13     1.53029   112.75220  -172.69819
   14    13 S   HC   HG11    14     1.09594   110.35658   -64.24717
   15    13 S   HC   HG12    15     1.09642   110.09174    55.01093
   16    13 S   C    _CD1    16     1.51782   112.24014   175.22303
   17    16 S   O    _OE1    17     1.22798   123.21461    -5.60200
   18    16 S   N    _N2_    18     1.38684   111.77559   174.60468
   19    18 S   H    _HN2    19     1.01606   119.11593    -0.77354
   20    18 S   CT1  _CA2    20     1.46130   123.10458  -179.80517
   21    20 S   HC   _HA2    21     1.09572   108.61833   -21.47737
   22    20 S   C    _C2_    22     1.53404   108.58857  -136.37260
   23    22 S   O    _O2_    23     1.23006   122.25062  -147.32985
   24    20 S   CT   _CB2    32     1.53625   112.16610   101.05969
   25    24 S   HC   HB21    33     1.09649   109.46988    60.54160
   26    24 S   HC   HB22    34     1.09561   111.08402   177.96799
   27    22 S   N    _N3_    24     1.38525   113.29984    40.33860
   28    27 S   H    _HN3    25     1.01528   118.92767    -0.74072
   29    24 S   S    _SG2    35     1.82774   114.36328   -59.01192
   30    27 S   CT   _CA3    26     1.45435   123.34365   174.34511
   31    30 S   HC   HA31    27     1.09528   109.10896    26.96136
   32    30 S   HC   HA32    28     1.09487   107.16569   144.01566
   33    29 S   CT   _C13    36     1.83084   100.17924   -73.28335
   34    33 S   HC   _H7_    37     1.09310   108.60995    29.46381
   35    30 S   CO3  _C3_    29     1.52959   113.17828   -96.36376
   36    35 S   O2Z  _O31    30     1.26401   115.47374   -41.72697
   37    35 S   O2Z  _O32    31     1.26359   114.92660   139.15320
   38    33 S   C3T  _C12    38     1.50273   109.99925   -90.63199
   39    38 S   HC   _H6_    39     1.07806   116.48470   107.42145
   40    38 S   C3T  _C11    40     1.50771   109.71601  -109.29069
   41    40 S   CT   _C10    41     1.51670   107.73823     5.78486
   42    41 S   HC   _H5_    42     1.10181   107.76743    88.71383
   43    40 S   CT   _C5_    60     1.51664   120.74732  -148.72813
   44    38 S   O3T  _O33    74     1.43027   117.45707   -45.15950
   45    41 S   CT   _C9_    43     1.52764   117.71535  -151.92042
   46    45 S   HC   _H4_    44     1.09411   111.39163    62.61827
   47    43 S   CT   _C4_    61     1.53122   112.41419    76.86816
   48    47 S   HC   _H8_    62     1.09653   110.55225   -58.85031
   49    47 S   HC   _H9_    63     1.09642   110.75722  -176.29334
   50    47 S   HC   _H10    64     1.08972   113.73141    62.19573
   51    43 S   OH   _O37    65     1.44783   107.86938   -38.19449
   52    51 S   HO   _H21    66     0.97233   108.37133   178.26494
   53    33 S   CT   _C14    67     1.56494   114.88505   152.21383
   54    45 S   CT   _C8_    45     1.52302   113.37135   -63.86465
   55    54 S   HC   _H3_    46     1.09872   110.44347   -38.79146
   56    53 S   CT   _C15    68     1.53569   109.63344  -145.75177
   57    56 S   HC   _H15    69     1.09662   110.39292    59.78370
   58    56 S   HC   _H16    70     1.09316   112.29851   -60.76998
   59    56 S   HC   _H17    71     1.09498   111.46381   176.74761
   60    53 S   OH   _O34    72     1.42550   112.07323   -27.05207
   61    60 S   HO   _H18    73     0.97435   107.59380   -51.30181
   62    54 S   CM   _C17    47     1.49412    99.50682  -151.24961
   63    54 S   CT   _C7_    54     1.52514   113.48105    84.78753
   64    63 S   HC   _H13    55     1.09781   108.81409   171.48110
   65    63 S   HC   _H14    56     1.09669   110.85265    55.62280
   66    62 S   CO4  _C16    48     1.47796   108.06833    26.30386
   67    66 S   O    _O36    49     1.21712   127.25214   167.98043
   68    62 S   CM   _C18    51     1.33587   130.60997  -152.17003
   69    68 S   HC   _H19    52     1.08421   121.43375    -1.22093
   70    68 S   HC   _H20    53     1.08550   121.56350   179.11951
   71    63 S   CT   _C6_    57     1.52731   113.87698   -69.47241
   72    71 S   HC   _H11    58     1.09933   106.95890  -170.31105
   73    71 S   HC   _H12    59     1.09885   109.12655   -57.69006
   74    45 S   OS   _O35    50     1.44413   109.37193   179.77358
  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  10   5   4   3
  16   8   2   1   1  13   5  21  21   9  16   5  15   7   9   4
   3   2   5   1   8  14   8   5   3   2   1   1   1  10   8   4
   3   5   2   3   1   1   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    53    56    60    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    43    53    56    57    58    59    60    61    44  
   38    39    40    41    53    56    60    44  
   36    37  
   37  
    0  
   39    40    41    42    45    71    43    47    51    53    56    60    44  
   40    41    43    53    44  
   41    42    45    46    54    74    63    71    72    73    43    47    48    49    50    51    52    53    56    60    44  
   42    45    46    54    55    62    66    74    63    71    43    47    51    53    56    57    58    59    60    61    44  
   45    46    54    74    43    53    56    60    44  
   47    48    49    50    51    52    53    44    45    54    63    64    65    71    72    73  
   45    47    51    53    71  
   46    54    55    62    66    67    74    68    63    64    65    71    53    56    60  
   54    55    62    66    74    63    53  
   48    49    50    51    52    63    71    72    73  
   49    50    51    71  
   50    51    71  
   51    71  
   52    63    71    72    73  
   71  
   56    57    58    59    60    61    54    74  
   55    62    66    67    74    68    69    70    63    64    65    71    72    73  
   62    66    74    68    63    64    65    71  
   57    58    59    60    61  
   58    59    60  
   59    60  
   60  
   61  
    0  
   66    67    74    68    69    70    63    64    65    71  
   64    65    71    72    73    66    68    74  
   65    71    72    73  
   71    72    73  
   67    74    68    69    70  
   74    68  
   69    70    74  
   70  
    0  
   72    73  
   73  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   2.5000   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   74   3.0000   0.1700  -0.330000   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   275.000  1.510
   33    53   268.000  1.529
   38    39   340.000  1.088
   38    40   260.000  1.509
   38    44   335.000  1.432
   40    41   275.000  1.510
   40    43   275.000  1.510
   40    44   335.000  1.432
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    53   268.000  1.529
   45    46   340.000  1.090
   45    54   268.000  1.529
   45    74   320.000  1.410
   54    55   340.000  1.090
   54    62   317.000  1.510
   54    63   268.000  1.529
   62    66   320.000  1.462
   62    68   549.000  1.340
   66    67   570.000  1.229
   66    74   214.000  1.327
   68    69   340.000  1.080
   68    70   340.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    43   268.000  1.529
   43    47   268.000  1.529
   43    51   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   553.000  0.945
   53    56   268.000  1.529
   53    60   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   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    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  111.63000
   29    33    53    75.00000  111.63000
   33    38    39    40.00000  115.04500
   33    38    40    60.00000  120.94000
   33    38    44    80.00000  116.47100
   33    53    41    58.35000  112.70000
   33    53    56    58.35000  112.70000
   33    53    60    50.00000  109.50000
   38    33    34    45.00000  109.38400
   38    40    41    60.00000  120.94000
   38    40    43    60.00000  120.94000
   38    40    44    15.00000   60.43100
   38    44    40    15.00000   59.14900
   40    38    39    37.50000  117.20000
   40    41    42    45.00000  109.38400
   40    41    45    70.00000  112.37300
   40    41    53    70.00000  112.37300
   40    43    71    70.00000  112.37300
   40    43    47    70.00000  112.37300
   40    43    51    50.00000  109.50000
   41    45    46    37.50000  110.70000
   41    45    54    58.35000  112.70000
   41    45    74    50.00000  109.50000
   41    53    56    58.35000  112.70000
   41    53    60    50.00000  109.50000
   45    41    42    37.50000  110.70000
   45    54    55    37.50000  110.70000
   45    54    62    70.00000  112.02700
   45    54    63    58.35000  112.70000
   45    74    66    83.00000  116.90000
   54    45    46    37.50000  110.70000
   54    62    66    65.00000  116.34900
   54    62    68    70.00000  124.00000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    71    58.35000  112.70000
   62    54    55    35.00000  109.50000
   62    66    67    80.00000  123.72100
   62    66    74    90.00000  111.29400
   62    68    69    35.00000  120.00000
   62    68    70    35.00000  120.00000
   74    45    46    35.00000  109.50000
   74    45    54    50.00000  109.50000
   74    66    67    83.00000  123.40000
   68    62    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   63    54    55    37.50000  110.70000
   63    54    62    70.00000  112.02700
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    43    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    43    47    58.35000  112.70000
   71    43    51    50.00000  109.50000
   73    71    72    33.00000  107.80000
   43    40    41    58.35000  112.70000
   43    71    72    37.50000  110.70000
   43    71    73    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   43    51    52    55.00000  108.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    47    50.00000  109.50000
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.37300
   53    41    42    37.50000  110.70000
   53    41    45    58.35000  112.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    37.50000  110.70000
   53    60    61    55.00000  108.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    53    56    50.00000  109.50000
   44    38    39    50.00000  114.27700
   44    38    40    15.00000   60.43100
   44    40    41    80.00000  116.47100
   44    40    43    80.00000  116.47100
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    53    41   0.44750  1.0 1.0
   29    33    53    41  -0.17800 -1.0 2.0
   29    33    53    41   0.20200  1.0 3.0
   29    33    53    56   0.44750  1.0 1.0
   29    33    53    56  -0.17800 -1.0 2.0
   29    33    53    56   0.20200  1.0 3.0
   29    33    53    60   0.56750  1.0 1.0
   29    33    53    60  -0.07550 -1.0 2.0
   29    33    53    60   0.20000  1.0 3.0
   33    38   -40    41   0.56750  1.0 1.0
   33    38   -40    41  -0.07550 -1.0 2.0
   33    38   -40    41   0.20000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38   -40    44   0.02550  1.0 1.0
   33    38   -40    44  -0.02600 -1.0 2.0
   33    38   -40    44   1.20400  1.0 3.0
   33    38   -44    40   0.06250  1.0 1.0
   33    38   -44    40  -0.01100 -1.0 2.0
   33    38   -44    40   0.28050  1.0 3.0
   33    53    56    57   0.15000  1.0 3.0
   33    53    56    58   0.15000  1.0 3.0
   33    53    56    59   0.15000  1.0 3.0
   33    53    60    61  -0.11600  1.0 1.0
   33    53    60    61  -0.09450 -1.0 2.0
   33    53    60    61   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    44   0.23400  1.0 3.0
   34    33    53    41   0.15000  1.0 3.0
   34    33    53    56   0.15000  1.0 3.0
   34    33    53    60   0.23400  1.0 3.0
   38    33   -53    41   0.47050  1.0 1.0
   38    33   -53    41   0.03900 -1.0 2.0
   38    33   -53    41   0.20100  1.0 3.0
   38    33    53    56   0.47050  1.0 1.0
   38    33    53    56   0.03900 -1.0 2.0
   38    33    53    56   0.20100  1.0 3.0
   38    33    53    60   0.86500  1.0 1.0
   38    33    53    60  -0.17500 -1.0 2.0
   38    33    53    60   0.20800  1.0 3.0
   38    40    41    42   0.15000  1.0 3.0
   38    40    41    45   0.07850  1.0 1.0
   38    40    41    45  -0.03950 -1.0 2.0
   38    40    41    45   0.67350  1.0 3.0
   38    40   -41    53   0.07850  1.0 1.0
   38    40   -41    53  -0.03950 -1.0 2.0
   38    40   -41    53   0.67350  1.0 3.0
   38    40    43    71   0.07850  1.0 1.0
   38    40    43    71  -0.03950 -1.0 2.0
   38    40    43    71   0.67350  1.0 3.0
   38    40    43    47   0.07850  1.0 1.0
   38    40    43    47  -0.03950 -1.0 2.0
   38    40    43    47   0.67350  1.0 3.0
   38    40    43    51   0.86500  1.0 1.0
   38    40    43    51  -0.17500 -1.0 2.0
   38    40    43    51   0.20800  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38   -40    44   0.23400  1.0 3.0
   39    38   -44    40   0.36800  1.0 3.0
   40    41    45    46   0.15000  1.0 3.0
   40    41    45    54   0.47050  1.0 1.0
   40    41    45    54   0.03900 -1.0 2.0
   40    41    45    54   0.20100  1.0 3.0
   40    41    45    74  -0.26800  1.0 1.0
   40    41    45    74   0.69150 -1.0 2.0
   40    41    45    74  -0.48750  1.0 3.0
   40    41   -53    33   0.47050  1.0 1.0
   40    41   -53    33   0.03900 -1.0 2.0
   40    41   -53    33   0.20100  1.0 3.0
   40    41    53    56   0.47050  1.0 1.0
   40    41    53    56   0.03900 -1.0 2.0
   40    41    53    56   0.20100  1.0 3.0
   40    41    53    60   0.86500  1.0 1.0
   40    41    53    60  -0.17500 -1.0 2.0
   40    41    53    60   0.20800  1.0 3.0
   40    43    47    48   0.15000  1.0 3.0
   40    43    47    49   0.15000  1.0 3.0
   40    43    47    50   0.15000  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   41    40    43    71   0.56750  1.0 1.0
   41    40    43    71  -0.07550 -1.0 2.0
   41    40    43    71   0.20000  1.0 3.0
   41    40    43    47   0.56750  1.0 1.0
   41    40    43    47  -0.07550 -1.0 2.0
   41    40    43    47   0.20000  1.0 3.0
   41    40    43    51   0.86500  1.0 1.0
   41    40    43    51  -0.17500 -1.0 2.0
   41    40    43    51   0.20800  1.0 3.0
   41    40   -44    38   0.06250  1.0 1.0
   41    40   -44    38  -0.01100 -1.0 2.0
   41    40   -44    38   0.28050  1.0 3.0
   41    45    54    55   0.15000  1.0 3.0
   41    45    54    62   0.34400  1.0 1.0
   41    45    54    62   0.09450 -1.0 2.0
   41    45    54    62   0.11100  1.0 3.0
   41    45    54    63   0.56750  1.0 1.0
   41    45    54    63  -0.07550 -1.0 2.0
   41    45    54    63   0.20000  1.0 3.0
   41    45    74    66  -0.25900  1.0 1.0
   41    45    74    66  -0.47000 -1.0 2.0
   41    45    74    66   0.11750  1.0 3.0
   41    53    56    57   0.15000  1.0 3.0
   41    53    56    58   0.15000  1.0 3.0
   41    53    56    59   0.15000  1.0 3.0
   41    53    60    61  -0.11600  1.0 1.0
   41    53    60    61  -0.09450 -1.0 2.0
   41    53    60    61   0.21250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    54   0.15000  1.0 3.0
   42    41    45    74   0.23400  1.0 3.0
   42    41    53    33   0.15000  1.0 3.0
   42    41    53    56   0.15000  1.0 3.0
   42    41    53    60   0.23400  1.0 3.0
   45    41    53    33   0.56750  1.0 1.0
   45    41    53    33  -0.07550 -1.0 2.0
   45    41    53    33   0.20000  1.0 3.0
   45    41    53    56   0.56750  1.0 1.0
   45    41    53    56  -0.07550 -1.0 2.0
   45    41    53    56   0.20000  1.0 3.0
   45    41    53    60   0.86500  1.0 1.0
   45    41    53    60  -0.17500 -1.0 2.0
   45    41    53    60   0.20800  1.0 3.0
   45    54   -62    66   0.09700  1.0 1.0
   45    54   -62    66   0.15600 -1.0 2.0
   45    54   -62    66  -0.50800  1.0 3.0
   45    54    62    68   0.09850  1.0 1.0
   45    54    62    68   0.15250 -1.0 2.0
   45    54    62    68  -0.50650  1.0 3.0
   45    54    63    64   0.15000  1.0 3.0
   45    54    63    65   0.15000  1.0 3.0
   45    54    63    71   0.56750  1.0 1.0
   45    54    63    71  -0.07550 -1.0 2.0
   45    54    63    71   0.20000  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    62   0.15000  1.0 3.0
   46    45    54    63   0.15000  1.0 3.0
   46    45    74    66   0.08050  1.0 3.0
   54    45   -74    66  -0.25900  1.0 1.0
   54    45   -74    66  -0.47000 -1.0 2.0
   54    45   -74    66   0.11750  1.0 3.0
   54    62    66    67  -0.64400  1.0 1.0
   54    62    66    67   0.26850 -1.0 2.0
   54    62   -66    74  -0.15000  1.0 1.0
   54    62   -66    74   0.89550 -1.0 2.0
   54    62   -66    74  -0.06900  1.0 3.0
   54    62    68    69   7.00000 -1.0 2.0
   54    62    68    70   7.00000 -1.0 2.0
   54    63    71    72   0.15000  1.0 3.0
   54    63    71    73   0.15000  1.0 3.0
   54    63    71    43   0.56750  1.0 1.0
   54    63    71    43  -0.07550 -1.0 2.0
   54    63    71    43   0.20000  1.0 3.0
   55    54    62    66   0.15000  1.0 3.0
   55    54    62    68   0.00000  1.0 1.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    65   0.15000  1.0 3.0
   55    54    63    71   0.15000  1.0 3.0
   62    54    63    64   0.15000  1.0 3.0
   62    54    63    65   0.15000  1.0 3.0
   62    54    63    71   0.34400  1.0 1.0
   62    54    63    71   0.09450 -1.0 2.0
   62    54    63    71   0.11100  1.0 3.0
   62    66   -74    45   2.00000 -1.0 2.0
   66    62    68    69   7.00000 -1.0 2.0
   66    62    68    70   7.00000 -1.0 2.0
   67    66    74    45   3.00000 -1.0 2.0
   74    45    54    55   0.23400  1.0 3.0
   74    45   -54    62   0.61850  1.0 1.0
   74    45   -54    62  -0.22750 -1.0 2.0
   74    45   -54    62   0.15300  1.0 3.0
   74    45    54    63   0.62750  1.0 1.0
   74    45    54    63  -0.30950 -1.0 2.0
   74    45    54    63   0.27300  1.0 3.0
   68    62    66    67   1.00000 -1.0 2.0
   68    62    66    74  -0.56150  1.0 1.0
   68    62    66    74   2.19150 -1.0 2.0
   63    54    62    66   0.09700  1.0 1.0
   63    54    62    66   0.15600 -1.0 2.0
   63    54    62    66  -0.50800  1.0 3.0
   63    54    62    68   0.09850  1.0 1.0
   63    54    62    68   0.15250 -1.0 2.0
   63    54    62    68  -0.50650  1.0 3.0
   63    71    43    40   0.47050  1.0 1.0
   63    71    43    40   0.03900 -1.0 2.0
   63    71    43    40   0.20100  1.0 3.0
   63    71    43    47   0.56750  1.0 1.0
   63    71    43    47  -0.07550 -1.0 2.0
   63    71    43    47   0.20000  1.0 3.0
   63    71    43    51   0.86500  1.0 1.0
   63    71    43    51  -0.17500 -1.0 2.0
   63    71    43    51   0.20800  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    43   0.15000  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    73   0.15000  1.0 3.0
   65    63    71    43   0.15000  1.0 3.0
   71    43    47    48   0.15000  1.0 3.0
   71    43    47    49   0.15000  1.0 3.0
   71    43    47    50   0.15000  1.0 3.0
   71    43    51    52  -0.11600  1.0 1.0
   71    43    51    52  -0.09450 -1.0 2.0
   71    43    51    52   0.21250  1.0 3.0
   72    71    43    40   0.15000  1.0 3.0
   72    71    43    47   0.15000  1.0 3.0
   72    71    43    51   0.23400  1.0 3.0
   73    71    43    40   0.15000  1.0 3.0
   73    71    43    47   0.15000  1.0 3.0
   73    71    43    51   0.23400  1.0 3.0
   43    40    41    42   0.15000  1.0 3.0
   43    40    41    45   0.56750  1.0 1.0
   43    40    41    45  -0.07550 -1.0 2.0
   43    40    41    45   0.20000  1.0 3.0
   43    40    41    53   0.56750  1.0 1.0
   43    40    41    53  -0.07550 -1.0 2.0
   43    40    41    53   0.20000  1.0 3.0
   43    40   -44    38   0.06250  1.0 1.0
   43    40   -44    38  -0.01100 -1.0 2.0
   43    40   -44    38   0.28050  1.0 3.0
   47    43    51    52  -0.11600  1.0 1.0
   47    43    51    52  -0.09450 -1.0 2.0
   47    43    51    52   0.21250  1.0 3.0
   51    43    47    48   0.23400  1.0 3.0
   51    43    47    49   0.23400  1.0 3.0
   51    43    47    50   0.23400  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40   0.07850  1.0 1.0
   53    33   -38    40  -0.03950 -1.0 2.0
   53    33   -38    40   0.67350  1.0 3.0
   53    33    38    44   0.02550  1.0 1.0
   53    33    38    44  -0.02600 -1.0 2.0
   53    33    38    44   1.20400  1.0 3.0
   53    41    45    46   0.15000  1.0 3.0
   53    41    45    54   0.56750  1.0 1.0
   53    41    45    54  -0.07550 -1.0 2.0
   53    41    45    54   0.20000  1.0 3.0
   53    41    45    74   0.62750  1.0 1.0
   53    41    45    74  -0.30950 -1.0 2.0
   53    41    45    74   0.27300  1.0 3.0
   56    53    60    61  -0.11600  1.0 1.0
   56    53    60    61  -0.09450 -1.0 2.0
   56    53    60    61   0.21250  1.0 3.0
   60    53    56    57   0.23400  1.0 3.0
   60    53    56    58   0.23400  1.0 3.0
   60    53    56    59   0.23400  1.0 3.0
   44    38   -40    41   0.02550  1.0 1.0
   44    38   -40    41  -0.02600 -1.0 2.0
   44    38   -40    41   1.20400  1.0 3.0
   44    38   -40    43   0.02550  1.0 1.0
   44    38   -40    43  -0.02600 -1.0 2.0
   44    38   -40    43   1.20400  1.0 3.0
   44    40    41    42   0.23400  1.0 3.0
   44    40    41    45   0.02550  1.0 1.0
   44    40    41    45  -0.02600 -1.0 2.0
   44    40    41    45   1.20400  1.0 3.0
   44    40   -41    53   0.02550  1.0 1.0
   44    40   -41    53  -0.02600 -1.0 2.0
   44    40   -41    53   1.20400  1.0 3.0
   44    40    43    71   0.02550  1.0 1.0
   44    40    43    71  -0.02600 -1.0 2.0
   44    40    43    71   1.20400  1.0 3.0
   44    40    43    47   0.02550  1.0 1.0
   44    40    43    47  -0.02600 -1.0 2.0
   44    40    43    47   1.20400  1.0 3.0
   44    40    43    51   3.69350  1.0 1.0
   44    40    43    51  -1.82950 -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
   36    30    35    37  10.50000 -1.0 2.0
   54    66    62    68   1.10000 -1.0 2.0
   62    74    66    67  10.50000 -1.0 2.0
   69    70    68    62   1.10000 -1.0 2.0
END
