* LIGAND DATABASE FILE (OPLS2005)
*
001      63    65    114    177     329
    1     0 S   NP   _N1_     1    28.75718    95.33808   -21.31615
    2     1 S   H    _HN1     2     1.02771    87.87858   -67.65425
    3     1 S   H    _H1_     3     1.02963    89.56194    40.71125
    4     1 S   H    _H2_     4     1.02832    33.08839   163.94546
    5     1 S   CT   _CA1     5     1.50105   143.80883   166.10626
    6     5 S   HC   _HA1     6     1.09573   105.27878    57.82372
    7     5 S   CO3  _C1_     7     1.53818   112.33680   -62.46140
    8     7 S   O2Z  _O11     8     1.26350   114.95223   -44.23814
    9     7 S   O2Z  _O12     9     1.26237   114.85120   134.96438
   10     5 S   CT   _CB1    10     1.53079   107.43336   175.77599
   11    10 S   HC   HB11    11     1.09820   109.41578   -50.81545
   12    10 S   HC   HB12    12     1.09830   110.35246    65.73680
   13    10 S   CT   _CG1    13     1.53003   112.67329  -171.97615
   14    13 S   HC   HG11    14     1.09607   110.29809   -61.03876
   15    13 S   HC   HG12    15     1.09627   110.17678    58.19335
   16    13 S   C    _CD1    16     1.51800   112.18948   178.52515
   17    16 S   O    _OE1    17     1.22727   123.23407   -10.03090
   18    16 S   N    _N2_    18     1.38601   111.63934   170.26330
   19    18 S   H    _HN2    19     1.01586   119.00188     1.95965
   20    18 S   CT1  _CA2    20     1.46264   123.43476  -176.39576
   21    20 S   HC   _HA2    21     1.09728   109.38742   -15.01273
   22    20 S   C    _C2_    22     1.53370   108.36542  -130.87943
   23    22 S   O    _O2_    23     1.23007   122.26680  -145.66534
   24    20 S   CT   _CB2    32     1.53477   111.08082   107.00705
   25    24 S   HC   HB21    33     1.09606   109.57589    54.83829
   26    24 S   HC   HB22    34     1.09500   110.87333   173.69839
   27    22 S   N    _N3_    24     1.38517   113.32098    41.70840
   28    27 S   H    _HN3    25     1.01535   118.89590    -0.61612
   29    24 S   S    _SG2    35     1.82701   111.70069   -66.48786
   30    27 S   CT   _CA3    26     1.45450   123.45000   175.08665
   31    30 S   HC   HA31    27     1.09523   109.23273    24.39174
   32    30 S   HC   HA32    28     1.09495   107.12132   141.39980
   33    29 S   CT   _C13    36     1.82185    99.04039   156.23065
   34    33 S   HC   _H8_    37     1.09561   108.32670   -54.13470
   35    33 S   HC   _H9_    38     1.09462   108.80623    63.84895
   36    30 S   CO3  _C3_    29     1.52930   113.12823   -99.08016
   37    36 S   O2Z  _O31    30     1.26402   115.41272   -44.13748
   38    36 S   O2Z  _O32    31     1.26357   114.97589   136.80091
   39    33 S   CT   _C12    39     1.52015   110.18556  -174.48203
   40    39 S   HC   _H5_    40     1.09543   113.89408   -54.55168
   41    39 S   CO4  _C11    41     1.50841   111.55778  -178.54492
   42    41 S   O    _O33    42     1.22441   124.44016    58.53904
   43    41 S   CT   _C10    43     1.49890   111.42900  -121.78056
   44    43 S   HC   _H4_    44     1.09472   108.89083   101.60407
   45    43 S   CO   _C9_    45     1.51917    98.95941   -16.98235
   46    45 S   HC   _H3_    46     1.09792   112.15238   -86.16603
   47    43 S   OH   _O35    62     1.40473   112.85444  -135.14577
   48    47 S   HO   _H10    63     0.97326   107.41898   -63.98062
   49    45 S   N*   _N6_    47     1.45046   113.39789   151.48289
   50    39 S   OS   _O34    61     1.43943   110.38622    68.66037
   51    49 S   CRAB _C8_    48     1.36995   125.08906   107.97727
   52    51 S   HA   _H7_    49     1.08184   122.56233     0.91107
   53    51 S   NNA  _N7_    50     1.31589   112.05106  -178.88900
   54    53 S   C56B _C6_    51     1.37606   105.00962     0.08156
   55    49 S   C56A _C7_    52     1.36931   127.61984   -70.61135
   56    55 S   NB   _N5_    53     1.34268   128.04046    -0.78534
   57    56 S   CQ   _C4_    54     1.34724   110.68296   179.76593
   58    57 S   HA   _H6_    55     1.08477   115.80650   179.39932
   59    57 S   NB   _N4_    56     1.35300   128.68470    -0.79549
   60    54 S   CA   _C5_    57     1.40368   131.67251   179.46808
   61    60 S   NND  _N8_    58     1.38141   122.23949     0.33455
   62    61 S   H    _H11    59     1.01053   120.38487     1.65906
   63    61 S   H    _H12    60     1.01011   119.16713   178.27365
  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   7   5   4   3
   9   5   4   2   1   1  10   5   9   5   9   6  11   5   3   1
   9   2   6   3   6   8   6   4   4   2   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    50  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    50  
   35    39    40    41    50  
   39    40    41    50  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    47  
   41    42    43    45    50  
   42    43    44    45    46    49    50    47    48  
   43    44    45    50    47  
   44    45    46    49    51    55    50    47    48  
   45    46    49    50    47    48  
   46    49    51    52    53    54    55    56    50    47    48  
   49    51    55    50    47  
   48    49    50  
    0  
   51    52    53    54    55    56    57    60    50  
   51    55  
   52    53    54    55    56    60  
   53    54    55  
   54    55    56    59    60    61  
   55    56    57    59    60    61    62    63  
   56    57    58    59    60    61  
   57    58    59    60  
   58    59    60    61  
   59    60  
   60    61    62    63  
   61    62    63  
   62    63  
   63  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   50   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   53   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   54   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   57   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   59   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   60   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    50   320.000  1.410
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   250.000  1.527
   43    47   320.000  1.410
   45    46   340.000  1.090
   45    49   275.000  1.479
   45    50   320.000  1.380
   49    51   440.000  1.371
   49    55   436.000  1.374
   51    52   367.000  1.080
   51    53   529.000  1.304
   53    54   414.000  1.391
   54    55   447.000  1.419
   54    60   469.000  1.404
   55    56   461.000  1.354
   56    57   502.000  1.324
   57    58   367.000  1.080
   57    59   502.000  1.324
   59    60   483.000  1.339
   60    61   481.000  1.340
   61    62   434.000  1.010
   61    63   434.000  1.010
   47    48   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    50    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    70.00000  116.00000
   39    50    45    60.00000  109.50000
   41    39    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    63.00000  111.10000
   41    43    47    90.00000  109.61100
   43    41    42    80.00000  120.40000
   43    45    46    45.00000  112.01100
   43    45    49    75.00000  107.44000
   43    45    50    90.00000  108.56700
   43    47    48    55.00000  108.50000
   45    43    44    45.00000  108.72000
   45    49    51    70.00000  128.80000
   45    49    55    70.00000  125.80000
   49    45    46    55.00000  103.44000
   49    51    52    35.00000  123.05000
   49    51    53    70.00000  113.90000
   49    55    54    70.00000  106.20000
   49    55    56    70.00000  126.20000
   51    53    54    70.00000  103.80000
   53    51    52    35.00000  123.05000
   53    54    55    70.00000  110.40000
   53    54    60    70.00000  132.40000
   54    55    56    70.00000  127.70000
   54    60    59    70.00000  117.30000
   54    60    61    70.00000  123.50000
   55    49    51    70.00000  105.40000
   55    56    57    70.00000  111.00000
   56    57    58    35.00000  115.45000
   56    57    59    70.00000  129.10000
   57    59    60    70.00000  118.60000
   59    57    58    35.00000  115.45000
   59    60    61    70.00000  119.30000
   60    54    55    85.00000  116.20000
   60    61    62    35.00000  120.00000
   60    61    63    35.00000  120.00000
   63    61    62    35.00000  120.00000
   50    39    40    35.00000  109.50000
   50    39    41    90.00000  108.74100
   50    45    46    35.00000  109.50000
   50    45    49   105.00000  106.22000
   47    43    44    35.00000  109.50000
   47    43    45    90.00000  111.58700
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    50   0.56750  1.0 1.0
   29    33    39    50  -0.07550 -1.0 2.0
   29    33    39    50   0.20000  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.60050  1.0 1.0
   33    39    41    43   0.05600 -1.0 2.0
   33    39    41    43   0.26150  1.0 3.0
   33    39    50    45   0.06250  1.0 1.0
   33    39    50    45  -0.01100 -1.0 2.0
   33    39    50    45   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    50   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    50   0.23400  1.0 3.0
   39    41    43    44   0.00000  1.0 1.0
   39    41   -43    45   0.60050  1.0 1.0
   39    41   -43    45   0.05600 -1.0 2.0
   39    41   -43    45   0.26150  1.0 3.0
   39    41    43    47   0.55300  1.0 1.0
   39    41    43    47   1.25850 -1.0 2.0
   39    41    43    47  -0.23600  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    50    45   0.37050  1.0 3.0
   41    39   -50    45  -1.11000  1.0 1.0
   41    39   -50    45   0.50250 -1.0 2.0
   41    39   -50    45   0.47450  1.0 3.0
   41    43    45    46  -0.11250  1.0 3.0
   41    43    45    49  -2.10200  1.0 1.0
   41    43    45    49  -0.31600 -1.0 2.0
   41    43    45    49   0.13050  1.0 3.0
   41    43   -45    50  -0.09450  1.0 1.0
   41    43   -45    50  -1.12950 -1.0 2.0
   41    43   -45    50   0.54000  1.0 3.0
   41    43    47    48   0.91850  1.0 1.0
   41    43    47    48   0.57950  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.30150 -1.0 2.0
   42    41    43    47   0.30150 -1.0 2.0
   43    45    49    51   1.10250  1.0 1.0
   43    45    49    51   0.01650 -1.0 2.0
   43    45    49    51   0.39100  1.0 3.0
   43    45    49    55   1.10250  1.0 1.0
   43    45    49    55   0.01650 -1.0 2.0
   43    45    49    55   0.39100  1.0 3.0
   43    45   -50    39   0.06250  1.0 1.0
   43    45   -50    39  -0.01100 -1.0 2.0
   43    45   -50    39   0.28050  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    50   0.23400  1.0 3.0
   44    43    47    48   0.19450  1.0 3.0
   45    43    47    48  -0.11600  1.0 1.0
   45    43    47    48  -0.09450 -1.0 2.0
   45    43    47    48   0.21250  1.0 3.0
   45    49    51    52   3.62500 -1.0 2.0
   45    49    51    53   3.62500 -1.0 2.0
   45    49    55    54   0.81400  1.0 1.0
   45    49    55    54   1.55550 -1.0 2.0
   45    49    55    56   3.62500 -1.0 2.0
   46    45    49    51   0.00000  1.0 1.0
   46    45    49    55   0.00000  1.0 1.0
   46    45    50    39   0.37050  1.0 3.0
   49    45    50    39  -2.37750  1.0 1.0
   49    45    50    39  -0.08150 -1.0 2.0
   49    45    50    39   0.59000  1.0 3.0
   49    51   -53    54   3.62500 -1.0 2.0
   49    55    56    57   3.62500 -1.0 2.0
   51    49   -55    54   0.70250  1.0 1.0
   51    49   -55    54   1.56150 -1.0 2.0
   51    49    55    56   3.62500 -1.0 2.0
   51    53   -54    55   3.62500 -1.0 2.0
   51    53    54    60   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   53    54   -55    49   3.62500 -1.0 2.0
   53    54    55    56   3.62500 -1.0 2.0
   53    54    60    59   3.62500 -1.0 2.0
   53    54    60    61   3.62500 -1.0 2.0
   54    55    56    57   3.62500 -1.0 2.0
   54    60    61    62   0.70000 -1.0 2.0
   54    60    61    63   0.70000 -1.0 2.0
   55    49    51    52   3.62500 -1.0 2.0
   55    49   -51    53   3.62500 -1.0 2.0
   55    54    60    59   3.62500 -1.0 2.0
   55    54    60    61   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
   56    57    59    60   3.62500 -1.0 2.0
   57    59   -60    54   3.62500 -1.0 2.0
   57    59    60    61   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   59    60    61    62   0.70000 -1.0 2.0
   59    60    61    63   0.70000 -1.0 2.0
   60    54    55    49   3.00000 -1.0 2.0
   60    54   -55    56   3.62500 -1.0 2.0
   50    39    41    42   0.30150 -1.0 2.0
   50    39   -41    43   0.55300  1.0 1.0
   50    39   -41    43   1.25850 -1.0 2.0
   50    39   -41    43  -0.23600  1.0 3.0
   50    45    49    51   0.10350  1.0 1.0
   50    45    49    51  -0.15350 -1.0 2.0
   50    45    49    55   0.10350  1.0 1.0
   50    45    49    55  -0.15350 -1.0 2.0
   47    43    45    46   0.23400  1.0 3.0
   47    43    45    49   2.76900  1.0 1.0
   47    43    45    49  -0.24350 -1.0 2.0
   47    43    45    49  -0.78250  1.0 3.0
   47    43    45    50   3.69350  1.0 1.0
   47    43    45    50  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   51    55    49    45   4.00000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   55    60    54    53   4.00000 -1.0 2.0
   54    56    55    49   4.00000 -1.0 2.0
   59    58    57    56   1.10000 -1.0 2.0
   59    61    60    54   4.00000 -1.0 2.0
   63    60    61    62   1.00000 -1.0 2.0
END
