* LIGAND DATABASE FILE (OPLS2005)
*
001      69    73    128    218     380
    1     0 S   NP   _N1_     1    28.55097    95.14148   -22.44316
    2     1 S   H    _HN1     2     1.02961    82.37012    29.45902
    3     1 S   H    _H1_     3     1.02834    31.39331   171.34935
    4     1 S   H    _H2_     4     1.02777    98.50375   -78.04963
    5     1 S   CT   _CA1     5     1.50116   139.51003   142.04886
    6     5 S   HC   _HA1     6     1.09575   105.23174    74.94982
    7     5 S   CO3  _C1_     7     1.53785   112.43083   -45.25418
    8     7 S   O2Z  _O11     8     1.26356   115.00309   -42.93696
    9     7 S   O2Z  _O12     9     1.26242   114.92621   136.28963
   10     5 S   CT   _CB1    10     1.53100   107.42793  -167.13359
   11    10 S   HC   HB11    11     1.09824   109.31499   -50.89901
   12    10 S   HC   HB12    12     1.09819   110.41192    65.64581
   13    10 S   CT   _CG1    13     1.53005   112.68736  -172.01965
   14    13 S   HC   HG11    14     1.09596   110.42829   -64.07738
   15    13 S   HC   HG12    15     1.09653   109.98789    55.14211
   16    13 S   C    _CD1    16     1.51815   112.35619   175.48369
   17    16 S   O    _OE1    17     1.22714   123.27589    -2.40363
   18    16 S   N    _N2_    18     1.38639   111.60750   177.85716
   19    18 S   H    _HN2    19     1.01579   118.99889     1.38409
   20    18 S   CT1  _CA2    20     1.46184   123.39557   179.86294
   21    20 S   HC   _HA2    21     1.09733   109.44139    -6.84014
   22    20 S   C    _C2_    22     1.53470   108.29917  -122.47597
   23    22 S   O    _O2_    23     1.23025   122.21888  -144.80849
   24    20 S   CT   _CB2    32     1.53410   111.56681   115.26945
   25    24 S   HC   HB21    33     1.09575   109.89232    55.94551
   26    24 S   HC   HB22    34     1.09410   109.77041   174.96752
   27    22 S   N    _N3_    24     1.38497   113.42252    42.41860
   28    27 S   H    _HN3    25     1.01515   118.95230    -0.56475
   29    24 S   S    _SG2    35     1.82663   111.74877   -65.30712
   30    27 S   CT   _CA3    26     1.45459   123.51610   175.22775
   31    30 S   HC   HA31    27     1.09516   109.35339    22.32982
   32    30 S   HC   HA32    28     1.09499   107.09910   139.34862
   33    29 S   CT   _C23    36     1.85588   100.25114   167.02307
   34    33 S   HC   _H3_    37     1.09670   107.05617   -43.57202
   35    30 S   CO3  _C3_    29     1.52913   113.00608  -101.22595
   36    35 S   O2Z  _O31    30     1.26410   115.35234   -45.70991
   37    35 S   O2Z  _O32    31     1.26347   115.01307   135.19149
   38    33 S   CA   _C21    38     1.51923   110.60553    77.42206
   39    33 S   CT   _C22    66     1.54334   110.43517  -160.38231
   40    39 S   HC   _H33    67     1.09908   108.56105   169.25063
   41    38 S   CA   _C13    39     1.39869   119.46504   -90.44226
   42    41 S   HA   _H32    40     1.08936   119.00852    -5.17676
   43    38 S   CR3  _C19    65     1.41129   119.93966    85.59282
   44    39 S   OH   _O21    68     1.42583   111.25982    52.72413
   45    44 S   HO   _H35    69     0.97206   107.74441    51.41800
   46    41 S   CA   _C15    41     1.39524   121.27941   173.29560
   47    46 S   CA   _C7_    42     1.40583   119.36189  -179.64337
   48    47 S   HA   _H26    43     1.08864   120.53051    -0.74939
   49    47 S   CA   _C4_    44     1.39107   121.06681   179.03592
   50    49 S   HA   _H23    45     1.08580   120.21100  -179.97202
   51    49 S   CA   _C5_    46     1.38554   119.47915    -0.11191
   52    51 S   HA   _H24    47     1.08626   120.12768  -179.96574
   53    51 S   CA   _C8_    48     1.39788   119.93667     0.05935
   54    53 S   HA   _H27    49     1.08677   116.54059   179.76761
   55    46 S   CA   _C16    50     1.41631   119.87286    -0.64952
   56    55 S   CA   _C17    51     1.44056   119.19721     1.24772
   57    56 S   CA   _C11    52     1.41243   123.27908  -178.05368
   58    57 S   HA   _H30    53     1.08683   121.23790     0.82353
   59    57 S   CA   _C10    54     1.39580   122.34771  -179.95577
   60    59 S   HA   _H29    55     1.08817   118.64542  -179.25954
   61    59 S   CA   _C14    56     1.39309   120.59644     2.26943
   62    61 S   CA   _C9_    57     1.40348   120.62421   177.85415
   63    62 S   HA   _H28    58     1.08811   120.59632     1.87294
   64    62 S   CA   _C6_    59     1.39179   120.68783  -177.16358
   65    64 S   HA   _H25    60     1.08615   120.05070   179.24515
   66    64 S   CA   _C12    61     1.39018   119.88152     0.83369
   67    66 S   HA   _H31    62     1.08682   118.88718   177.28913
   68    66 S   CA   _C20    63     1.40242   120.33331    -1.82285
   69    61 S   CR3  _C18    64     1.41202   119.16987    -1.13401
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  14  11   5  10   4  12   4   1  10   8   4
   6   3   5   3   4   2   5   7   6   3   7   3   7   7   4   5
   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    68    43    39    40    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    56    66    68    69    43    39    40    44    45  
   38    41    68    43    39    40    44  
   36    37  
   37  
    0  
   41    42    46    47    55    56    57    61    68    69    43    39    40    44  
   40    44    45    41    43    61    64    66    67    68    69  
   44    45    66    68    69  
   42    46    47    48    49    53    55    56    69    43  
   46    47    55    43  
   46    53    55    56    57    58    59    61    62    66    68    69  
   45    66    68    69  
   68  
   47    48    49    50    51    53    54    55    56    57  
   48    49    50    51    52    53    55    56  
   49    50    51    55  
   50    51    52    53    54    55  
   51    52    53  
   52    53    54    55    56  
   53    54    55  
   54    55    56    57  
   55    56  
   56    57    58    59    69  
   57    58    59    60    61    68    69  
   58    59    60    61    62    69  
   59    60    61  
   60    61    62    63    64    68    69  
   61    62    69  
   62    63    64    65    66    68    69  
   63    64    65    66    67    68    69  
   64    65    66    69  
   65    66    67    68    69  
   66    67    68  
   67    68    69  
   68    69  
   69  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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    39   268.000  1.529
   38    41   469.000  1.400
   38    43   490.000  1.398
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   469.000  1.400
   46    55   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   469.000  1.400
   56    57   469.000  1.400
   56    43   490.000  1.398
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   469.000  1.400
   61    69   490.000  1.398
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   490.000  1.398
   68    39   317.000  1.510
   69    43   490.000  1.398
   39    40   340.000  1.090
   39    44   320.000  1.410
   44    45   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    43    80.00000  105.07000
   33    39    68    70.00000  112.17500
   33    39    40    37.50000  110.70000
   33    39    44    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    43    56    60.00000  130.80000
   38    43    69    60.00000  130.80000
   41    46    47    63.00000  120.00000
   41    46    55    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    49    63.00000  120.00000
   46    55    53    63.00000  120.00000
   46    55    56    63.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    51    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    55    63.00000  120.00000
   53    51    52    35.00000  120.00000
   53    55    56    63.00000  120.00000
   55    46    47    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    56    57    63.00000  120.00000
   55    56    43    70.00000  112.88000
   56    57    58    35.00000  120.00000
   56    57    59    63.00000  120.00000
   56    43    69    60.00000  130.80000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    63.00000  120.00000
   59    61    69    70.00000  112.88000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    64    63.00000  120.00000
   61    69    68    60.00000  130.80000
   61    69    43    60.00000  130.80000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    70.00000  112.88000
   66    68    39    70.00000  120.00000
   68    66    67    35.00000  120.00000
   68    69    43    60.00000  130.80000
   68    39    40    35.00000  109.50000
   68    39    44    90.00000  112.51600
   69    61    62    70.00000  112.88000
   43    38    41    70.00000  112.88000
   43    56    57    70.00000  112.88000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    68    69    80.00000  105.07000
   39    44    45    55.00000  108.50000
   44    39    40    35.00000  109.50000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    43  -0.16000  1.0 1.0
   29    33    38    43  -0.03200 -1.0 2.0
   29    33    38    43   0.04500  1.0 3.0
   29    33    39    68   0.56750  1.0 1.0
   29    33    39    68  -0.07550 -1.0 2.0
   29    33    39    68   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    43    56   3.62500 -1.0 2.0
   33    38    43    69   3.62500 -1.0 2.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    39    68   0.43200  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   38    33    39    68  -0.94300  1.0 1.0
   38    33    39    68   1.32550 -1.0 2.0
   38    33    39    68  -0.07100  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    44   1.13150  1.0 1.0
   38    33    39    44  -1.01400 -1.0 2.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    55   3.62500 -1.0 2.0
   41    38    43    56   3.62500 -1.0 2.0
   41    38    43    69   3.62500 -1.0 2.0
   41    46    47    48   3.62500 -1.0 2.0
   41    46    47    49   3.62500 -1.0 2.0
   41    46    55    53   3.62500 -1.0 2.0
   41    46   -55    56   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    55   3.62500 -1.0 2.0
   46    47    49    50   3.62500 -1.0 2.0
   46    47    49    51   3.62500 -1.0 2.0
   46    55    56    57   3.62500 -1.0 2.0
   46    55    56    43   3.62500 -1.0 2.0
   47    46    55    53   3.62500 -1.0 2.0
   47    46    55    56   3.62500 -1.0 2.0
   47    49    51    52   3.62500 -1.0 2.0
   47    49   -51    53   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    51    53    54   3.62500 -1.0 2.0
   49    51    53    55   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    53   -55    46   3.62500 -1.0 2.0
   51    53    55    56   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    55   3.62500 -1.0 2.0
   53    55    56    57   3.62500 -1.0 2.0
   53    55    56    43   3.62500 -1.0 2.0
   54    53    55    46   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   55    46    47    48   3.62500 -1.0 2.0
   55    46   -47    49   3.62500 -1.0 2.0
   55    56    57    58   3.62500 -1.0 2.0
   55    56    57    59   3.62500 -1.0 2.0
   55    56   -43    38   3.62500 -1.0 2.0
   55    56    43    69   3.62500 -1.0 2.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    61   3.62500 -1.0 2.0
   57    56    43    38   3.62500 -1.0 2.0
   57    56    43    69   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59   -61    69   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61    62    64   3.62500 -1.0 2.0
   59    61    69    68   3.62500 -1.0 2.0
   59    61    69    43   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    69   3.62500 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    66   3.62500 -1.0 2.0
   61    69    43    38   3.62500 -1.0 2.0
   61    69   -43    56   3.62500 -1.0 2.0
   62    61    69    68   3.62500 -1.0 2.0
   62    61    69    43   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64   -66    68   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66    68    39   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68   -69    61   3.62500 -1.0 2.0
   66    68    69    43   3.62500 -1.0 2.0
   66    68    39    33   0.04150 -1.0 2.0
   66    68    39    40   0.00000  1.0 1.0
   66    68    39    44   0.14300 -1.0 2.0
   66    68    39    44   0.00300  1.0 3.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    39   3.62500 -1.0 2.0
   68    69   -43    38   3.62500 -1.0 2.0
   68    69    43    56   3.62500 -1.0 2.0
   68    39    44    45   0.31900  1.0 1.0
   68    39    44    45  -0.11800 -1.0 2.0
   68    39    44    45   0.38750  1.0 3.0
   69    61    62    63   3.62500 -1.0 2.0
   69    61   -62    64   3.62500 -1.0 2.0
   69    68   -39    33   0.04150 -1.0 2.0
   69    68    39    40   0.00000  1.0 1.0
   69    68    39    44   0.14300 -1.0 2.0
   69    68    39    44   0.00300  1.0 3.0
   43    38    41    42   3.62500 -1.0 2.0
   43    38   -41    46   3.62500 -1.0 2.0
   43    56    57    58   3.62500 -1.0 2.0
   43    56   -57    59   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    43   0.04150 -1.0 2.0
   39    68    69    61   3.62500 -1.0 2.0
   39    68   -69    43   3.62500 -1.0 2.0
   40    39    44    45   0.19450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   41    43    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   47    55    46    41   4.00000 -1.0 2.0
   49    48    47    46   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   55    54    53    51   1.10000 -1.0 2.0
   53    56    55    46   4.00000 -1.0 2.0
   57    43    56    55   4.00000 -1.0 2.0
   59    58    57    56   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   62    69    61    59   4.00000 -1.0 2.0
   64    63    62    61   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   69    39    68    66   4.00000 -1.0 2.0
   68    43    69    61   4.00000 -1.0 2.0
   56    69    43    38   4.00000 -1.0 2.0
END
