* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    122    183     362
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02096    35.37296   137.18682
    3     1 S   H    _H1_     3     1.02125    81.33162   -82.07706
    4     1 S   H    _H2_     4     1.02064    97.80861    25.79752
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C12    36     1.80705    98.08808   -78.22159
   34    33 S   HC   _H3_    37     1.09471   107.62828   -60.02408
   35    33 S   HC   _H4_    38     1.09443   107.69907    56.16351
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C13    39     1.52607   111.12125   178.55544
   40    39 S   HC   _H31    40     1.09631   112.72220  -178.41403
   41    39 S   C    _C7_    41     1.51603   110.43326    59.59362
   42    41 S   O    _O34    42     1.22433   124.90760  -115.79866
   43    39 S   OS   _O20    45     1.42245   109.06884   -58.02485
   44    41 S   OH   _O15    43     1.35839   112.22235    65.15840
   45    44 S   HO   _H33    44     0.98075   115.16680   179.14225
   46    43 S   CT   _C10    46     1.42544   111.54078  -153.02402
   47    46 S   HC   _H27    47     1.09606   107.33003   -29.98288
   48    46 S   CT   _C8_    48     1.53852   109.91253  -147.88744
   49    48 S   HC   _H24    49     1.09741   109.15477   158.00942
   50    48 S   HC   _H25    50     1.09683   109.33092    40.41954
   51    48 S   CM   _C5_    51     1.50285   113.23627   -81.82568
   52    51 S   CM   _C4_    52     1.34126   124.30105   -10.74631
   53    52 S   HC   _H23    53     1.08741   120.67324   177.93797
   54    51 S   C    _C6_    67     1.46554   118.17168   168.30058
   55    54 S   O    _O33    68     1.21743   124.53630  -149.14181
   56    52 S   CT   _C9_    54     1.50206   122.23599    -0.80064
   57    56 S   HC   _H26    55     1.09517   107.49452   104.51757
   58    54 S   OH   _O14    69     1.34950   109.57520    30.88150
   59    58 S   HO   _H32    70     0.98040   111.93554   180.00000
   60    46 S   CT   _C11    56     1.53084   108.95064    89.33980
   61    60 S   HC   _H28    57     1.09673   110.72582   -56.38175
   62    56 S   OS   _O19    60     1.42446   109.16532  -139.40399
   63    60 S   OH   _O16    58     1.42717   108.38118  -173.67491
   64    63 S   HO   _H34    59     0.96931   106.36648    57.87244
   65    62 S   P1   _P22    61     1.61550   118.21830  -160.03018
   66    65 S   O2Z  _O13    62     1.50107   115.12428    39.99376
   67    65 S   OS   _O17    63     1.61709   103.83627   -86.98831
   68    67 S   HO   _H35    64     0.98057   118.97879  -173.16654
   69    65 S   OS   _O18    65     1.61647   102.66654   165.66246
   70    69 S   HO   _H36    66     0.98135   118.98020   174.20106
  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   5   3  11   1   1  14   8  12
   5   4  10  11   5   4   2  10   5   1   1   5   3   7   1   1
   5   4   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    43    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    44    45    43    46    47    48    60  
   41    42    44    43    46  
   42    44    45    43    46  
   44    45    43  
   46    47    48    49    50    51    56    60    61    63    44  
   45  
    0  
   47    48    49    50    51    52    56    57    60    61    63    64    62    54  
   48    49    50    51    56    60    61    63  
   49    50    51    52    53    56    60    61    63    54    55    58  
   50    51    52    60    54  
   51    52    60    54  
   52    53    56    57    60    62    54    55    58    59  
   53    56    57    60    61    63    62    65    54    55    58  
   56    57    60    62    54  
   55    58    59    56  
   58    59  
   57    60    61    63    64    62    65    66    67    69  
   60    61    63    62    65  
   59  
    0  
   61    63    64    62    65  
   63    64    62  
   65    66    67    68    69    70    63  
   64  
    0  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70  
   69  
   70  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   56   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   66   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   67   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   69   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.380000   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    43   320.000  1.410
   41    42   570.000  1.229
   41    44   450.000  1.364
   44    45   553.000  0.945
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    60   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   317.000  1.510
   51    52   549.000  1.340
   51    54   410.000  1.444
   52    53   340.000  1.080
   52    56   317.000  1.510
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    62   320.000  1.410
   60    61   340.000  1.090
   60    63   320.000  1.410
   63    64   553.000  0.945
   62    65   405.000  1.623
   65    66   675.000  1.490
   65    67   405.000  1.623
   65    69   405.000  1.623
   67    68   553.000  0.945
   69    70   553.000  0.945
   54    55   570.000  1.229
   54    58   450.000  1.364
   58    59   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    43    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    44    70.00000  108.00000
   39    43    46    60.00000  109.50000
   41    39    40    35.00000  109.50000
   41    44    45    35.00000  113.00000
   44    41    42   100.00000  123.32000
   43    39    40    35.00000  109.50000
   43    39    41    90.00000  108.55600
   43    46    47    35.00000  109.50000
   43    46    48    50.00000  109.50000
   43    46    60    50.00000  109.50000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    70.00000  112.02700
   46    60    56    58.35000  112.70000
   46    60    61    37.50000  110.70000
   46    60    63    50.00000  109.50000
   48    46    47    37.50000  110.70000
   48    51    52    70.00000  124.00000
   48    51    54    70.00000  119.70000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    56    70.00000  124.00000
   51    54    55    80.00000  125.30000
   51    54    58    90.00000  111.55000
   52    56    57    35.00000  109.50000
   52    56    60    70.00000  112.02700
   52    56    62    85.00000  110.90400
   56    52    53    35.00000  117.00000
   56    60    61    37.50000  110.70000
   56    60    63    50.00000  109.50000
   56    62    65    75.00000  119.24600
   60    46    47    37.50000  110.70000
   60    46    48    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    63    64    55.00000  108.50000
   63    60    61    35.00000  109.50000
   62    56    57    35.00000  109.50000
   62    56    60    50.00000  109.50000
   62    65    66   100.00000  115.86100
   62    65    67   120.00000  102.38000
   62    65    69   120.00000  102.38000
   65    67    68    50.00000  113.86100
   65    69    70    50.00000  113.86100
   67    65    66   100.00000  115.86100
   69    65    66   100.00000  115.86100
   69    65    67   120.00000  102.38000
   54    51    52    70.00000  118.70000
   54    58    59    35.00000  113.00000
   58    54    55   100.00000  123.32000
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    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    44   0.50000  1.0 1.0
   33    39    41    44   0.27300 -1.0 2.0
   33    39    41    44   0.22500  1.0 3.0
   33    39    43    46   0.06250  1.0 1.0
   33    39    43    46  -0.01100 -1.0 2.0
   33    39    43    46   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    43   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    43   0.23400  1.0 3.0
   39    41    44    45   1.50000  1.0 1.0
   39    41    44    45   2.45000 -1.0 2.0
   39    43    46    47   0.37050  1.0 3.0
   39    43    46    48   0.06250  1.0 1.0
   39    43    46    48  -0.01100 -1.0 2.0
   39    43    46    48   0.28050  1.0 3.0
   39    43    46    60   0.06250  1.0 1.0
   39    43    46    60  -0.01100 -1.0 2.0
   39    43    46    60   0.28050  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    44   0.00000  1.0 1.0
   40    39    43    46   0.37050  1.0 3.0
   41    39    43    46  -1.11000  1.0 1.0
   41    39    43    46   0.50250 -1.0 2.0
   41    39    43    46   0.47450  1.0 3.0
   42    41    44    45   0.92200  1.0 1.0
   42    41    44    45   3.74100 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    44   0.40000  1.0 3.0
   43    46    48    49   0.23400  1.0 3.0
   43    46    48    50   0.23400  1.0 3.0
   43    46    48    51   0.61850  1.0 1.0
   43    46    48    51  -0.22750 -1.0 2.0
   43    46    48    51   0.15300  1.0 3.0
   43    46    60    56   0.62750  1.0 1.0
   43    46    60    56  -0.30950 -1.0 2.0
   43    46    60    56   0.27300  1.0 3.0
   43    46    60    61   0.23400  1.0 3.0
   43    46    60    63   3.69350  1.0 1.0
   43    46    60    63  -1.82950 -1.0 2.0
   46    48    51    52   0.09850  1.0 1.0
   46    48    51    52   0.15250 -1.0 2.0
   46    48    51    52  -0.50650  1.0 3.0
   46    48    51    54   0.09700  1.0 1.0
   46    48    51    54   0.15600 -1.0 2.0
   46    48    51    54  -0.50800  1.0 3.0
   46    60    63    64  -0.11600  1.0 1.0
   46    60    63    64  -0.09450 -1.0 2.0
   46    60    63    64   0.21250  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    60    56   0.15000  1.0 3.0
   47    46    60    61   0.15000  1.0 3.0
   47    46    60    63   0.23400  1.0 3.0
   48    46    60    56   0.56750  1.0 1.0
   48    46    60    56  -0.07550 -1.0 2.0
   48    46    60    56   0.20000  1.0 3.0
   48    46    60    61   0.15000  1.0 3.0
   48    46    60    63   0.86500  1.0 1.0
   48    46    60    63  -0.17500 -1.0 2.0
   48    46    60    63   0.20800  1.0 3.0
   48    51    52    53   7.00000 -1.0 2.0
   48    51   -52    56   7.00000 -1.0 2.0
   48    51    54    55  -0.64400  1.0 1.0
   48    51    54    55   0.26850 -1.0 2.0
   48    51    54    58  -0.23000  1.0 1.0
   48    51    54    58   0.83800 -1.0 2.0
   48    51    54    58   0.07650  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    54   0.15000  1.0 3.0
   51    52    56    57   0.00000  1.0 1.0
   51    52    56    60   0.09850  1.0 1.0
   51    52    56    60   0.15250 -1.0 2.0
   51    52    56    60  -0.50650  1.0 3.0
   51    52    56    62   0.39000  1.0 1.0
   51    52    56    62  -0.05800 -1.0 2.0
   51    52    56    62  -0.55150  1.0 3.0
   51    54    58    59   1.22000  1.0 1.0
   51    54    58    59   0.17300 -1.0 2.0
   52    51    54    55   1.00000 -1.0 2.0
   52    51    54    58  -0.01000  1.0 1.0
   52    51    54    58   1.29850 -1.0 2.0
   52    51    54    58  -0.09550  1.0 3.0
   52    56   -60    46   0.34400  1.0 1.0
   52    56   -60    46   0.09450 -1.0 2.0
   52    56   -60    46   0.11100  1.0 3.0
   52    56    60    61   0.15000  1.0 3.0
   52    56    60    63   1.05650  1.0 1.0
   52    56    60    63   0.15600 -1.0 2.0
   52    56    60    63   0.53150  1.0 3.0
   52    56    62    65   0.37500  1.0 3.0
   53    52    56    57   0.33100  1.0 3.0
   53    52    56    60   0.00000  1.0 1.0
   53    52    56    62   0.00000  1.0 1.0
   56    60    63    64  -0.11600  1.0 1.0
   56    60    63    64  -0.09450 -1.0 2.0
   56    60    63    64   0.21250  1.0 3.0
   56    62    65    66   0.00000  1.0 1.0
   56    62    65    67   0.91800  1.0 1.0
   56    62    65    67   0.22900 -1.0 2.0
   56    62    65    67   0.32050  1.0 3.0
   56    62    65    69   0.91800  1.0 1.0
   56    62    65    69   0.22900 -1.0 2.0
   56    62    65    69   0.32050  1.0 3.0
   57    56    60    46   0.15000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    63   0.23400  1.0 3.0
   57    56    62    65   0.03000  1.0 3.0
   60    46    48    49   0.15000  1.0 3.0
   60    46    48    50   0.15000  1.0 3.0
   60    46   -48    51   0.34400  1.0 1.0
   60    46   -48    51   0.09450 -1.0 2.0
   60    46   -48    51   0.11100  1.0 3.0
   60    56    62    65  -2.65550  1.0 1.0
   60    56    62    65  -0.22350 -1.0 2.0
   60    56    62    65   0.24150  1.0 3.0
   61    60    63    64   0.19450  1.0 3.0
   62    56    60    46   0.62750  1.0 1.0
   62    56    60    46  -0.30950 -1.0 2.0
   62    56    60    46   0.27300  1.0 3.0
   62    56    60    61   0.23400  1.0 3.0
   62    56    60    63   3.69350  1.0 1.0
   62    56    60    63  -1.82950 -1.0 2.0
   62    65    67    68  -0.22900  1.0 1.0
   62    65    67    68   0.09450 -1.0 2.0
   62    65    67    68  -0.07800  1.0 3.0
   62    65    69    70  -0.22900  1.0 1.0
   62    65    69    70   0.09450 -1.0 2.0
   62    65    69    70  -0.07800  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    69    70   0.00000  1.0 1.0
   67    65    69    70  -0.22900  1.0 1.0
   67    65    69    70   0.09450 -1.0 2.0
   67    65    69    70  -0.07800  1.0 3.0
   69    65    67    68  -0.22900  1.0 1.0
   69    65    67    68   0.09450 -1.0 2.0
   69    65    67    68  -0.07800  1.0 3.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    56   7.00000 -1.0 2.0
   55    54    58    59   0.92200  1.0 1.0
   55    54    58    59   3.74100 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    44    41    42  10.50000 -1.0 2.0
   48    54    51    52   1.10000 -1.0 2.0
   56    53    52    51   1.10000 -1.0 2.0
   51    58    54    55  10.50000 -1.0 2.0
END
