* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    131    199     387
    1     0 S   NP   _N1_     1    28.79944    96.23660   -24.78935
    2     1 S   H    _HN1     2     1.02949    71.90123    10.29971
    3     1 S   H    _H1_     3     1.02828    35.74266   179.92598
    4     1 S   H    _H2_     4     1.02792   113.80443   -92.29023
    5     1 S   CT   _CA1     5     1.50116   130.11486   112.12190
    6     5 S   HC   _HA1     6     1.09573   105.18629    94.63172
    7     5 S   CO3  _C1_     7     1.53777   112.42062   -25.62119
    8     7 S   O2Z  _O11     8     1.26375   115.01281   -43.75234
    9     7 S   O2Z  _O12     9     1.26232   114.94110   135.29791
   10     5 S   CT   _CB1    10     1.53065   107.41255  -147.39252
   11    10 S   HC   HB11    11     1.09840   109.37306   -49.43482
   12    10 S   HC   HB12    12     1.09812   110.46253    67.16442
   13    10 S   CT   _CG1    13     1.53016   112.62102  -170.36720
   14    13 S   HC   HG11    14     1.09575   110.71333   -66.20459
   15    13 S   HC   HG12    15     1.09669   109.72825    53.04770
   16    13 S   C    _CD1    16     1.51808   112.03508   173.54816
   17    16 S   O    _OE1    17     1.22754   123.19937    10.72523
   18    16 S   N    _N2_    18     1.38638   111.80653  -169.39791
   19    18 S   H    _HN2    19     1.01597   119.03709     1.38565
   20    18 S   CT1  _CA2    20     1.46237   123.37566   177.13194
   21    20 S   HC   _HA2    21     1.09739   109.27214     6.66789
   22    20 S   C    _C2_    22     1.53672   109.06711  -108.87313
   23    22 S   O    _O2_    23     1.23087   122.17736  -150.72601
   24    20 S   CT   _CB2    32     1.53426   111.46912   128.60593
   25    24 S   HC   HB21    33     1.09444   109.55954    57.03199
   26    24 S   HC   HB22    34     1.09444   109.84315   175.84433
   27    22 S   N    _N3_    24     1.38297   113.92102    36.84879
   28    27 S   H    _HN3    25     1.01547   119.59490    -3.51146
   29    24 S   S    _SG2    35     1.83107   111.13967   -64.83506
   30    27 S   CT   _CA3    26     1.45279   123.27853   177.13529
   31    30 S   HC   HA31    27     1.09548   107.52800   -64.43373
   32    30 S   HC   HA32    28     1.09556   107.98026    52.02193
   33    29 S   CT   _C13    36     1.87996   101.65749   165.86780
   34    30 S   CO3  _C3_    29     1.52973   114.04027   174.01388
   35    34 S   O2Z  _O31    30     1.26383   116.07144    -0.25793
   36    34 S   O2Z  _O32    31     1.26425   114.41889   179.79729
   37    33 S   CM   _C12    37     1.52982   104.48456   179.32016
   38    37 S   HC   _H10    38     1.09043   114.67870    61.44556
   39    33 S   CM   _C15    65     1.52492   107.52876   -65.86242
   40    39 S   HC   _H14    66     1.09262   115.27594   -52.04578
   41    33 S   CT   _C14    70     1.54117   108.14660    58.47486
   42    41 S   HC   _H11    71     1.09557   112.48857   -66.59312
   43    41 S   HC   _H12    72     1.09728   111.27760   174.25287
   44    41 S   HC   _H13    73     1.09708   111.92169    54.41633
   45    37 S   CM   _C11    39     1.34579   127.69957  -119.62915
   46    45 S   HC   _H9_    40     1.08736   118.69189     0.22381
   47    39 S   CMA  _C16    67     1.34902   128.18478   128.49179
   48    47 S   OM   _O34    68     1.25904   131.04777   179.97202
   49    47 S   HC   _H15    69     1.08885   113.97844     0.14537
   50    45 S   CT   _C10    41     1.52715   126.64265  -179.95577
   51    50 S   CM   _C5_    42     1.53343   111.58792  -125.00659
   52    50 S   OH   _O35    63     1.43878   109.62420    -8.60704
   53    52 S   HO   _H16    64     0.97225   108.37730   -61.96570
   54    51 S   CM   _C6_    43     1.34408   122.61049  -146.79987
   55    54 S   HC   _H6_    44     1.08486   122.08692  -179.57664
   56    51 S   CT   _C4_    59     1.50952   118.35021    35.87066
   57    56 S   HC   _H3_    60     1.09450   110.85407   -68.92726
   58    56 S   HC   _H4_    61     1.09573   112.03367   171.38457
   59    56 S   HC   _H5_    62     1.09465   110.69980    51.95630
   60    54 S   CO4  _C7_    45     1.48107   121.51251    -2.14776
   61    60 S   O    _O33    46     1.22970   119.57396  -179.72164
   62    60 S   CT   _C8_    47     1.51025   118.65089    -2.82106
   63    62 S   HC   _H7_    48     1.09712   108.00525   154.02266
   64    62 S   HC   _H8_    49     1.09676   107.48456   -90.31617
   65    50 S   CT   _C9_    50     1.57859   110.67514   109.75070
   66    65 S   CT   _C17    51     1.54830   111.50120   -67.17007
   67    66 S   HC   _H17    52     1.09502   111.70255    62.35804
   68    66 S   HC   _H18    53     1.09523   111.82502   -58.66968
   69    66 S   HC   _H19    54     1.09649   110.85017  -178.17265
   70    65 S   CT   _C18    55     1.55104   112.79384    53.49409
   71    70 S   HC   _H20    56     1.09548   111.60630   -68.32726
   72    70 S   HC   _H21    57     1.09651   110.85062   172.89897
   73    70 S   HC   _H22    58     1.09432   112.46817    52.72258
  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  11   5   4   3
  14   2   1   1  14   5   9   4   5   2   1   1  11   4   2   1
   1  22  14   7   1  11   4   5   2   1   1   7   4  11   4   3
   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    50    39    40    47    48    49    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    50    51    65    52    39    40    47    41    42    43    44  
   45    46    50    39    41  
   40    47    48    49    41    42    43    44    45  
   47    48    49    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    50    51    54    62    65    66    70    56    52    53  
   50    51    65    52  
   48    49  
   49  
    0  
   51    54    55    60    62    63    64    65    66    67    68    69    70    71    72    73    56    57    58    59    52    53  
   54    55    60    61    62    65    66    70    56    57    58    59    52    53  
   53    54    56    62    65    66    70  
   65  
   55    60    61    62    63    64    65    56    57    58    59  
   60    61    62    56  
   57    58    59    60    65  
   58    59  
   59  
    0  
   61    62    63    64    65    66    70  
   62    63    64    65  
   63    64    65    66    67    68    69    70    71    72    73  
   64    65    66    70  
   65    66    70  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    50   317.000  1.510
   50    51   317.000  1.510
   50    65   268.000  1.529
   50    52   320.000  1.410
   51    54   549.000  1.340
   51    56   317.000  1.510
   54    55   340.000  1.080
   54    60   320.000  1.462
   60    61   570.000  1.229
   60    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   268.000  1.529
   65    70   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    49   335.000  1.111
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    50    70.00000  124.00000
   45    37    38    35.00000  120.00000
   45    50    51    70.00000  110.12100
   45    50    65    70.00000  112.02700
   45    50    52    90.00000  110.39200
   50    45    46    35.00000  117.00000
   50    51    54    70.00000  124.00000
   50    51    56    65.00000  117.92700
   50    65    62    58.35000  112.70000
   50    65    66    58.35000  112.70000
   50    65    70    58.35000  112.70000
   50    52    53    55.00000  108.50000
   51    54    55    35.00000  120.00000
   51    54    60    65.00000  118.96000
   51    56    57    35.00000  109.50000
   51    56    58    35.00000  109.50000
   51    56    59    35.00000  109.50000
   54    60    61    80.00000  123.72100
   54    60    62    65.00000  118.62400
   60    54    55    40.00000  117.72500
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    63.00000  111.10000
   62    60    61    80.00000  120.40000
   62    65    66    58.35000  112.70000
   62    65    70    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    50    51    70.00000  112.02700
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    68    37.50000  110.70000
   65    66    69    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    65    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   56    51    54    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   52    50    51    90.00000  110.39200
   52    50    65    50.00000  109.50000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    49    45.00000  105.30000
   47    39    40    40.00000  120.50800
   49    47    48    50.00000  124.16400
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   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    37    38   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    50   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    50    51  -0.28300  1.0 1.0
   37    45    50    51   0.26700 -1.0 2.0
   37    45    50    51  -0.63300  1.0 3.0
   37    45    50    65   0.09850  1.0 1.0
   37    45    50    65   0.15250 -1.0 2.0
   37    45    50    65  -0.50650  1.0 3.0
   37    45    50    52   0.67800  1.0 1.0
   37    45    50    52   0.47050 -1.0 2.0
   37    45    50    52  -0.62500  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    50   7.00000 -1.0 2.0
   45    50    51    54  -0.28300  1.0 1.0
   45    50    51    54   0.26700 -1.0 2.0
   45    50    51    54  -0.63300  1.0 3.0
   45    50    51    56   0.09700  1.0 1.0
   45    50    51    56   0.15600 -1.0 2.0
   45    50    51    56  -0.50800  1.0 3.0
   45    50    65    62   0.34400  1.0 1.0
   45    50    65    62   0.09450 -1.0 2.0
   45    50    65    62   0.11100  1.0 3.0
   45    50    65    66   0.34400  1.0 1.0
   45    50    65    66   0.09450 -1.0 2.0
   45    50    65    66   0.11100  1.0 3.0
   45    50    65    70   0.34400  1.0 1.0
   45    50    65    70   0.09450 -1.0 2.0
   45    50    65    70   0.11100  1.0 3.0
   45    50    52    53  -0.07800  1.0 1.0
   45    50    52    53  -0.21500 -1.0 2.0
   45    50    52    53  -0.03150  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    65   0.00000  1.0 1.0
   46    45    50    52   0.00000  1.0 1.0
   50    51    54    55   7.00000 -1.0 2.0
   50    51    54    60   7.00000 -1.0 2.0
   50    51    56    57   0.34800  1.0 3.0
   50    51    56    58   0.34800  1.0 3.0
   50    51    56    59   0.34800  1.0 3.0
   50    65    66    67   0.15000  1.0 3.0
   50    65    66    68   0.15000  1.0 3.0
   50    65    66    69   0.15000  1.0 3.0
   50    65    70    71   0.15000  1.0 3.0
   50    65    70    72   0.15000  1.0 3.0
   50    65    70    73   0.15000  1.0 3.0
   51    50    65    62   0.34400  1.0 1.0
   51    50    65    62   0.09450 -1.0 2.0
   51    50    65    62   0.11100  1.0 3.0
   51    50    65    66   0.34400  1.0 1.0
   51    50    65    66   0.09450 -1.0 2.0
   51    50    65    66   0.11100  1.0 3.0
   51    50    65    70   0.34400  1.0 1.0
   51    50    65    70   0.09450 -1.0 2.0
   51    50    65    70   0.11100  1.0 3.0
   51    50    52    53  -0.07800  1.0 1.0
   51    50    52    53  -0.21500 -1.0 2.0
   51    50    52    53  -0.03150  1.0 3.0
   51    54    60    61   1.00000 -1.0 2.0
   51    54   -60    62  -0.33500  1.0 1.0
   51    54   -60    62   1.06600 -1.0 2.0
   51    54   -60    62  -0.14000  1.0 3.0
   54    51    56    57   0.00000  1.0 1.0
   54    51    56    58   0.00000  1.0 1.0
   54    51    56    59   0.00000  1.0 1.0
   54    60    62    63   0.00000  1.0 1.0
   54    60    62    64   0.00000  1.0 1.0
   54    60    62    65   0.65300  1.0 1.0
   54    60    62    65  -0.03850 -1.0 2.0
   54    60    62    65   0.33900  1.0 3.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    62   0.04550  1.0 1.0
   55    54    60    62   0.83000 -1.0 2.0
   55    54    60    62  -0.04000  1.0 3.0
   60    62   -65    50  -0.95700  1.0 1.0
   60    62   -65    50  -0.18200 -1.0 2.0
   60    62   -65    50   0.29450  1.0 3.0
   60    62    65    66  -0.95700  1.0 1.0
   60    62    65    66  -0.18200 -1.0 2.0
   60    62    65    66   0.29450  1.0 3.0
   60    62    65    70  -0.95700  1.0 1.0
   60    62    65    70  -0.18200 -1.0 2.0
   60    62    65    70   0.29450  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    65   0.30150 -1.0 2.0
   62    65    66    67   0.15000  1.0 3.0
   62    65    66    68   0.15000  1.0 3.0
   62    65    66    69   0.15000  1.0 3.0
   62    65    70    71   0.15000  1.0 3.0
   62    65    70    72   0.15000  1.0 3.0
   62    65    70    73   0.15000  1.0 3.0
   63    62    65    50   0.15000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    70   0.15000  1.0 3.0
   64    62    65    50   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    70   0.15000  1.0 3.0
   65    50   -51    54   0.09850  1.0 1.0
   65    50   -51    54   0.15250 -1.0 2.0
   65    50   -51    54  -0.50650  1.0 3.0
   65    50    51    56   0.46850  1.0 1.0
   65    50    51    56   0.08550 -1.0 2.0
   65    50    51    56   0.09800  1.0 3.0
   65    50    52    53  -0.11600  1.0 1.0
   65    50    52    53  -0.09450 -1.0 2.0
   65    50    52    53   0.21250  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   70    65    66    67   0.15000  1.0 3.0
   70    65    66    68   0.15000  1.0 3.0
   70    65    66    69   0.15000  1.0 3.0
   56    51    54    55   7.00000 -1.0 2.0
   56    51    54    60   7.00000 -1.0 2.0
   52    50    51    54   0.67800  1.0 1.0
   52    50    51    54   0.47050 -1.0 2.0
   52    50    51    54  -0.62500  1.0 3.0
   52    50    51    56   0.18000  1.0 1.0
   52    50    51    56   0.16450 -1.0 2.0
   52    50    51    56   0.04450  1.0 3.0
   52    50    65    62   0.86500  1.0 1.0
   52    50    65    62  -0.17500 -1.0 2.0
   52    50    65    62   0.20800  1.0 3.0
   52    50    65    66   0.86500  1.0 1.0
   52    50    65    66  -0.17500 -1.0 2.0
   52    50    65    66   0.20800  1.0 3.0
   52    50    65    70   0.86500  1.0 1.0
   52    50    65    70  -0.17500 -1.0 2.0
   52    50    65    70   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    49   7.00000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   50    46    45    37  15.00000 -1.0 2.0
   50    56    51    54   1.10000 -1.0 2.0
   60    55    54    51   1.10000 -1.0 2.0
   54    62    60    61  10.50000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    49    47    39  15.00000 -1.0 2.0
END
