* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    215     390
    1     0 S   NP   _N1_     1    29.79378    89.63767   -19.69114
    2     1 S   H    _HN1     2     1.02857   103.97301   102.17616
    3     1 S   H    _H1_     3     1.02749    13.32738    -5.08377
    4     1 S   H    _H2_     4     1.03417   120.23658   -18.86312
    5     1 S   CT   _CA1     5     1.49851   101.58267  -142.25768
    6     5 S   HC   _HA1     6     1.09575   105.17868    71.33937
    7     5 S   CO3  _C1_     7     1.53785   112.52800   -48.95828
    8     7 S   O2Z  _O11     8     1.26371   115.15388   -46.93667
    9     7 S   O2Z  _O12     9     1.26270   114.94036   132.28814
   10     5 S   CT   _CB1    10     1.53081   107.51733  -170.61165
   11    10 S   HC   HB11    11     1.09775   109.91898   -47.85652
   12    10 S   HC   HB12    12     1.09802   110.41871    68.62615
   13    10 S   CT   _CG1    13     1.52902   112.33520  -168.67631
   14    13 S   HC   HG11    14     1.09567   111.28107   -62.84106
   15    13 S   HC   HG12    15     1.09606   110.65078    56.35744
   16    13 S   C    _CD1    16     1.51301   110.28859   175.98917
   17    16 S   O    _OE1    17     1.22818   121.83470   -98.44824
   18    16 S   N    _N2_    18     1.38344   112.85853    80.53756
   19    18 S   H    _HN2    19     1.01570   119.16055     5.52811
   20    18 S   CT1  _CA2    20     1.45660   122.65757  -179.59506
   21    20 S   HC   _HA2    21     1.09634   108.34034    29.57292
   22    20 S   C    _C2_    22     1.52856   107.53723   -87.43123
   23    22 S   O    _O2_    23     1.22940   123.09502   -28.71765
   24    20 S   CT   _CB2    32     1.53158   112.22441   152.81397
   25    24 S   HC   HB21    33     1.09640   110.11160    53.11045
   26    24 S   HC   HB22    34     1.09489   110.84023   170.68232
   27    22 S   N    _N3_    24     1.38522   112.39687   154.12811
   28    27 S   H    _HN3    25     1.01624   120.38353    -2.51598
   29    24 S   S    _SG2    35     1.82861   112.02691   -65.95113
   30    27 S   CT   _CA3    26     1.45332   122.53321   178.47684
   31    30 S   HC   HA31    27     1.09564   107.74266   -56.88413
   32    30 S   HC   HA32    28     1.09557   107.69821    59.48120
   33    29 S   CT   _C8_    36     1.85390   100.10763  -112.80727
   34    33 S   HC   _H4_    37     1.09655   105.63885   -43.56772
   35    30 S   CO3  _C3_    29     1.52890   114.23051  -178.81502
   36    35 S   O2Z  _O31    30     1.26339   116.02473    -3.21857
   37    35 S   O2Z  _O32    31     1.26423   114.43681   176.80298
   38    33 S   CT   _C9_    38     1.53887   108.17295  -159.59830
   39    38 S   HC   _H10    39     1.09793   110.72037   -53.91992
   40    38 S   HC   _H11    40     1.09671   109.71517  -170.75276
   41    33 S   CT   _C7_    44     1.55496   111.37222    74.44586
   42    41 S   HC   _H3_    45     1.09828   108.95381   -33.39945
   43    38 S   CO3  _C10    41     1.53532   116.37756    70.43380
   44    43 S   O2Z  _O34    42     1.26481   114.29517  -154.06610
   45    43 S   O2Z  _O33    43     1.26174   116.39591    26.91133
   46    41 S   C5B  _C5_    46     1.51107   111.95016  -149.08354
   47    41 S   C    _C11    55     1.53439   114.39190    84.53017
   48    47 S   O    _O35    56     1.22972   123.37876   115.92595
   49    46 S   C5A  _C4_    47     1.38233   125.89397   132.90290
   50    49 S   HA   _H7_    48     1.08085   128.53503     0.16193
   51    47 S   N    _N6_    57     1.38788   113.09264   -65.63287
   52    51 S   H    _H12    58     1.01791   117.97730     1.66107
   53    49 S   SA   _S1_    49     1.70974   110.17494  -179.82306
   54    51 S   C4T  _C12    59     1.47741   122.65156  -178.20900
   55    54 S   HC   _H5_    60     1.09681   112.11081   -27.89431
   56    53 S   CRA  _C6_    50     1.72284    89.89206    -0.04423
   57    54 S   C4   _C14    61     1.56121   114.31694  -156.29708
   58    57 S   O    _O36    62     1.20861   136.53180    64.05551
   59    54 S   C4T  _C13    71     1.55272   117.17794   106.13738
   60    59 S   HC   _H6_    72     1.09698   113.06517  -137.31427
   61    46 S   N5B  _N4_    51     1.38626   119.70207   -47.04311
   62    56 S   NE   _N5_    52     1.34652   120.39253   179.93439
   63    62 S   H    _H8_    53     1.01410   121.33495  -179.80021
   64    62 S   H    _H9_    54     1.01369   122.01546    -0.03956
   65    57 S   N4   _N7_    63     1.34729    89.75074  -112.00957
   66    65 S   CM   _C15    64     1.35424   138.11160   172.54102
   67    66 S   CM   _C16    65     1.34577   120.66333  -162.01596
   68    67 S   HC   _H13    66     1.08845   119.16936  -179.31729
   69    66 S   CO3  _C18    73     1.53430   121.40299    15.99325
   70    69 S   O2Z  _O38    74     1.26525   115.61962  -120.63735
   71    69 S   O2Z  _O37    75     1.26432   115.03558    58.96845
   72    67 S   CT   _C17    67     1.50858   125.63834     3.40444
   73    72 S   HC   _H14    68     1.09463   109.05341   137.59574
   74    72 S   HC   _H15    69     1.09468   109.57860  -104.59993
   75    72 S   S    _S2_    70     1.82772   113.76800    18.12217
  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
  15   8   2   1   1   9   5   4  13   6   2   1   1   9   9   3
   5   3   9   4   5   9   6   4   8   3   9   4   3   2   1   1
   8   9   8   5   3   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    41    42    46    49    61    47    48    51  
   38    39    40    43    41    42    46    47  
   36    37  
   37  
    0  
   39    40    43    44    45    41    42    46    47  
   40    43    44    45    41  
   43    44    45    41  
   42    46    49    50    53    56    61    47    48    51    52    54    43  
   46    49    61    47    48    51  
   44    45  
   45  
    0  
   49    50    53    56    61    62    47    48    51  
   48    51    52    54    55    57    59    49    61  
   51    52    54  
   50    53    56    61    62  
   53    56    61  
   52    54    55    57    58    65    75    59    60  
   54    55    57    59  
   56    61    62    63    64  
   55    57    58    65    66    72    75    59    60  
   57    58    65    75    59    60  
   61    62    63    64  
   58    65    66    67    75    59    60    69  
   65    66    59  
   60    69    65    66    67    72    73    74    75  
   65    66    72    75  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    72    75    69    70    71  
   67    68    72    73    74    75    69    70    71  
   68    72    73    74    75    69    70    71  
   72    73    74    75    69  
   70    71    72  
   71  
    0  
   73    74    75  
   74    75  
   75  
    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   1.3810   1.2100   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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660   0.055000   2.4950   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0700   0.169300   2.0020   1.7750   0.001000000  -0.843144165
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   51   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   52   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   59   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   62   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   66   3.5500   0.0760  -0.259000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   317.000  1.522
   43    44   656.000  1.250
   43    45   656.000  1.250
   41    42   340.000  1.090
   41    46   295.000  1.494
   41    47   317.000  1.522
   46    49   520.000  1.370
   46    61   410.000  1.394
   49    50   367.000  1.080
   49    53   265.000  1.745
   53    56   250.000  1.765
   56    61   488.000  1.335
   56    62   420.000  1.385
   62    63   434.000  1.010
   62    64   434.000  1.010
   47    48   570.000  1.229
   47    51   490.000  1.335
   51    52   434.000  1.010
   51    54   337.000  1.449
   54    55   340.000  1.090
   54    57   250.000  1.540
   54    59   268.000  1.529
   57    58   930.000  1.212
   57    65   440.000  1.369
   65    66   400.000  1.384
   65    59   305.000  1.456
   66    67   549.000  1.340
   66    69   230.000  1.545
   67    68   340.000  1.080
   67    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   222.000  1.810
   75    59   200.000  1.824
   59    60   340.000  1.090
   69    70   656.000  1.250
   69    71   656.000  1.250
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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  109.69300
   33    41    42    37.50000  110.70000
   33    41    46    70.00000  112.62400
   33    41    47    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    70.00000  117.00000
   38    43    45    70.00000  117.00000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   45    43    44    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    49    55.00000  127.77900
   41    46    61    65.00000  120.63000
   41    47    48    80.00000  120.40000
   41    47    51    70.00000  116.60000
   46    41    42    45.00000  111.11700
   46    49    50    35.00000  130.70000
   46    49    53    80.00000  111.29200
   46    61    56    70.00000  110.00000
   49    53    56   120.00000   89.04400
   53    49    50    40.00000  122.38200
   53    56    61    80.00000  114.57700
   53    56    62    70.00000  122.29500
   56    62    63    35.00000  113.50000
   56    62    64    35.00000  113.50000
   61    46    49    70.00000  111.00000
   62    56    61    75.00000  125.31200
   64    62    63    35.00000  109.00000
   47    41    42    35.00000  109.50000
   47    41    46    70.00000  109.44300
   47    51    52    35.00000  119.80000
   47    51    54    50.00000  121.90000
   51    47    48    80.00000  122.90000
   51    54    55    50.00000  112.01000
   51    54    57    75.00000  110.24000
   51    54    59    80.00000  110.05700
   54    51    52    38.00000  118.40000
   54    57    58    60.00000  136.58000
   54    57    65    95.00000   92.72400
   54    59    65   105.00000   87.49700
   54    59    75    65.00000  119.05700
   54    59    60    37.50000  110.70000
   57    54    55    40.00000  113.37500
   57    65    66    50.00000  132.10000
   57    65    59   100.00000   93.00000
   65    57    58    75.00000  131.60000
   65    66    67    75.00000  120.83300
   65    66    69    80.00000  114.48000
   65    59    75    80.00000  108.62000
   65    59    60    50.00000  112.01000
   66    67    68    35.00000  120.00000
   66    67    72    70.00000  124.00000
   66    69    70    85.00000  113.83300
   66    69    71    85.00000  113.83300
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    75.00000  112.20000
   72    67    68    35.00000  117.00000
   72    75    59    85.00000   99.86700
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    59    60    45.00000  109.41400
   59    54    55    37.50000  110.70000
   59    54    57   100.00000   86.36000
   59    65    66    50.00000  132.70000
   69    66    67    55.00000  124.75400
   71    69    70    80.00000  126.00000
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   33    38    43    44   0.41150 -1.0 2.0
   33    38    43    45   0.41150 -1.0 2.0
   33    41    46    49   0.04150 -1.0 2.0
   33    41    46    61   0.29300  1.0 1.0
   33    41    46    61  -1.19700 -1.0 2.0
   33    41    46    61   0.60900  1.0 3.0
   33    41    47    48   0.30150 -1.0 2.0
   33    41    47    51   1.39750  1.0 1.0
   33    41    47    51  -0.07950 -1.0 2.0
   33    41    47    51  -0.18750  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    43  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    46   0.43200  1.0 3.0
   34    33    41    47  -0.11250  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46  -0.03700  1.0 1.0
   38    33    41    46   0.37200 -1.0 2.0
   38    33    41    46  -0.47300  1.0 3.0
   38    33    41    47  -0.95700  1.0 1.0
   38    33    41    47  -0.18200 -1.0 2.0
   38    33    41    47   0.29450  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   40    38    43    44   0.00000  1.0 1.0
   40    38    43    45   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43  -1.63150  1.0 1.0
   41    33    38    43  -0.43550 -1.0 2.0
   41    33    38    43   0.24500  1.0 3.0
   41    46    49    50   3.62500 -1.0 2.0
   41    46    49    53   3.62500 -1.0 2.0
   41    46    61    56   3.62500 -1.0 2.0
   41    47    51    52   2.45000 -1.0 2.0
   41    47    51    54   1.49850  1.0 1.0
   41    47    51    54   1.53950 -1.0 2.0
   42    41    46    49   0.00000  1.0 1.0
   42    41    46    61   0.00000  1.0 1.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    51   0.00000  1.0 1.0
   46    41    47    48   0.30150 -1.0 2.0
   46    41    47    51   0.00000  1.0 1.0
   46    49   -53    56   3.62500 -1.0 2.0
   49    46   -61    56   2.40000 -1.0 2.0
   49    53   -56    61   3.62500 -1.0 2.0
   49    53    56    62   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   53    56   -61    46   3.62500 -1.0 2.0
   53    56    62    63   0.47600 -1.0 2.0
   53    56    62    64   0.47600 -1.0 2.0
   61    46    49    50   3.62500 -1.0 2.0
   61    46   -49    53   3.62500 -1.0 2.0
   61    56    62    63   1.75000 -1.0 2.0
   61    56    62    64   1.75000 -1.0 2.0
   62    56    61    46   3.62500 -1.0 2.0
   47    41    46    49   0.04300 -1.0 2.0
   47    41    46    61   0.04300 -1.0 2.0
   47    51    54    55   0.00000  1.0 1.0
   47    51    54    57  -0.42300  1.0 1.0
   47    51    54    57  -0.07000 -1.0 2.0
   47    51    54    57   0.04150  1.0 3.0
   47    51    54    59  -0.43950  1.0 1.0
   47    51    54    59  -0.08100 -1.0 2.0
   47    51    54    59   0.03350  1.0 3.0
   48    47    51    52   2.45000 -1.0 2.0
   48    47    51    54   3.04450 -1.0 2.0
   51    54    57    58   0.30150 -1.0 2.0
   51    54    57    65   0.00000  1.0 1.0
   51    54   -59    65   2.20050  1.0 1.0
   51    54   -59    65   0.63450 -1.0 2.0
   51    54   -59    65  -0.91300  1.0 3.0
   51    54    59    75   0.00000  1.0 1.0
   51    54    59    60   0.15000  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    51    54    59   0.00000  1.0 1.0
   54    57    65    66   3.00000 -1.0 2.0
   54    57   -65    59   3.00000 -1.0 2.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    65   0.00000  1.0 1.0
   55    54   -59    65   0.15000  1.0 3.0
   55    54    59    75   0.00000  1.0 1.0
   55    54    59    60   0.15000  1.0 3.0
   57    54   -59    65   3.00000 -1.0 2.0
   57    54    59    75   0.00000  1.0 1.0
   57    54    59    60   0.15000  1.0 3.0
   57    65    66    67   0.00000  1.0 1.0
   57    65    66    69   0.00000  1.0 1.0
   57    65   -59    54   0.00000  1.0 1.0
   57    65   -59    75   0.00000  1.0 1.0
   57    65   -59    60   0.00000  1.0 1.0
   58    57    65    66   3.00000 -1.0 2.0
   58    57    65    59   3.00000 -1.0 2.0
   65    66    67    68   7.00000 -1.0 2.0
   65    66    67    72   7.00000 -1.0 2.0
   65    66    69    70   1.91650 -1.0 2.0
   65    66    69    71   1.91650 -1.0 2.0
   66    65   -59    54   0.00000  1.0 1.0
   66    65    59    75   0.00000  1.0 1.0
   66    65    59    60   0.00000  1.0 1.0
   66    67    72    73   0.00000  1.0 1.0
   66    67    72    74   0.00000  1.0 1.0
   66    67   -72    75   0.42700  1.0 1.0
   66    67   -72    75  -0.70350 -1.0 2.0
   66    67   -72    75  -0.43150  1.0 3.0
   67    66    69    70  -0.04000 -1.0 2.0
   67    66    69    70  -0.29050  1.0 3.0
   67    66    69    71  -0.04000 -1.0 2.0
   67    66    69    71  -0.29050  1.0 3.0
   67    72    75    59  -0.70200  1.0 1.0
   67    72    75    59  -0.14350 -1.0 2.0
   67    72    75    59   0.55200  1.0 3.0
   68    67    72    73   0.33100  1.0 3.0
   68    67    72    74   0.33100  1.0 3.0
   68    67    72    75   0.00000  1.0 1.0
   72    75    59    54   0.25150  1.0 1.0
   72    75    59    54  -1.17200 -1.0 2.0
   72    75    59    54   0.53050  1.0 3.0
   72    75   -59    65   0.01700  1.0 1.0
   72    75   -59    65  -0.23550 -1.0 2.0
   72    75   -59    65   0.21350  1.0 3.0
   72    75    59    60   0.00000  1.0 1.0
   73    72    75    59   0.32350  1.0 3.0
   74    72    75    59   0.32350  1.0 3.0
   59    54   -57    58  -0.11250  1.0 1.0
   59    54   -57    58   0.11400 -1.0 2.0
   59    54   -57    58  -0.28950  1.0 3.0
   59    54   -57    65   3.00000 -1.0 2.0
   59    65   -66    67   0.00000  1.0 1.0
   59    65    66    69   0.00000  1.0 1.0
   69    66    67    68   7.00000 -1.0 2.0
   69    66    67    72   7.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   44    38    43    45  10.50000 -1.0 2.0
   49    61    46    41   4.00000 -1.0 2.0
   53    50    49    46   1.10000 -1.0 2.0
   61    62    56    53   4.00000 -1.0 2.0
   64    56    62    63   1.00000 -1.0 2.0
   41    51    47    48  10.50000 -1.0 2.0
   52    47    51    54   1.00000 -1.0 2.0
   54    65    57    58  10.50000 -1.0 2.0
   59    57    65    66   1.00000 -1.0 2.0
   65    69    66    67   1.10000 -1.0 2.0
   72    68    67    66   1.10000 -1.0 2.0
   70    66    69    71  10.50000 -1.0 2.0
END
