* LIGAND DATABASE FILE (OPLS2005)
*
001      64    65    114    177     336
    1     0 S   NP   _N1_     1    29.61679    91.00860   -21.74443
    2     1 S   H    _HN1     2     1.03018   109.86840    34.09497
    3     1 S   H    _H1_     3     1.02816    12.98677   113.50618
    4     1 S   H    _H2_     4     1.02790    95.19024   -77.16736
    5     1 S   CT   _CA1     5     1.50243   119.62842   163.43537
    6     5 S   HC   _HA1     6     1.09567   105.31521    48.53247
    7     5 S   CO3  _C1_     7     1.53745   112.35638   -71.76317
    8     7 S   O2Z  _O11     8     1.26344   115.04896   -44.76061
    9     7 S   O2Z  _O12     9     1.26252   114.89355   134.42652
   10     5 S   CT   _CB1    10     1.52938   107.22708   166.32301
   11    10 S   HC   HB11    11     1.09771   108.99942   -52.29504
   12    10 S   HC   HB12    12     1.09741   110.09848    64.09908
   13    10 S   CT   _CG1    13     1.53086   113.45064  -173.77924
   14    13 S   HC   HG11    14     1.09558   110.20532   -61.50461
   15    13 S   HC   HG12    15     1.09581   110.46702    57.87776
   16    13 S   C    _CD1    16     1.51844   111.29828   177.58702
   17    16 S   O    _OE1    17     1.22805   122.79932   -24.05229
   18    16 S   N    _N2_    18     1.38583   112.47963   156.98959
   19    18 S   H    _HN2    19     1.01560   119.41588     3.44799
   20    18 S   CT1  _CA2    20     1.46116   122.80018  -175.67840
   21    20 S   HC   _HA2    21     1.09584   109.11324    -3.49474
   22    20 S   C    _C2_    22     1.53423   109.46136  -118.85190
   23    22 S   O    _O2_    23     1.23059   121.92683  -149.44781
   24    20 S   CT   _CB2    32     1.53636   111.89925   118.15753
   25    24 S   HC   HB21    33     1.09666   109.39243    69.97842
   26    24 S   HC   HB22    34     1.09580   110.73230  -172.98681
   27    22 S   N    _N3_    24     1.38417   113.68815    38.06917
   28    27 S   H    _HN3    25     1.01503   118.96511    -0.78260
   29    24 S   S    _SG2    35     1.82884   115.13358   -49.25313
   30    27 S   CT   _CA3    26     1.45446   123.46625   175.06946
   31    30 S   HC   HA31    27     1.09520   109.29313    23.85724
   32    30 S   HC   HA32    28     1.09497   107.12623   140.84656
   33    29 S   CT   _C12    36     1.82845   100.56096   -68.39227
   34    33 S   HC   _H11    37     1.09403   108.07856   -76.33970
   35    33 S   HC   _H12    38     1.09240   109.15490    42.56803
   36    30 S   CO3  _C3_    29     1.52907   113.00699   -99.65957
   37    36 S   O2Z  _O31    30     1.26405   115.34505   -46.94322
   38    36 S   O2Z  _O32    31     1.26345   115.03108   133.97498
   39    33 S   CT   _C11    39     1.52800   109.52137   162.86638
   40    39 S   HC   _H6_    40     1.09848   111.17371    46.23839
   41    39 S   CT   _C10    41     1.52611   114.78212   170.21797
   42    41 S   HC   _H5_    42     1.09514   111.31679   -82.30918
   43    41 S   CT   _C9_    43     1.52348   103.29014   154.96145
   44    43 S   HC   _H4_    44     1.09752   111.99099  -145.92364
   45    41 S   OH   _O35    63     1.42394   111.14232    37.46219
   46    45 S   HO   _H13    64     0.97281   107.53037  -179.61539
   47    43 S   CO   _C8_    45     1.53871   103.82090   -24.23803
   48    47 S   HC   _H3_    46     1.09605   110.54573   121.45696
   49    43 S   NZA  _N7_    60     1.47468   108.46436    92.42517
   50    47 S   N*   _N4_    47     1.47034   113.37877  -116.45969
   51    39 S   OS   _O34    59     1.43798   109.46152   -72.17433
   52    49 S   NZC  _N8_    61     1.24586   116.20100   156.54585
   53    52 S   NZT  _N9_    62     1.14019   179.79826  -157.27052
   54    50 S   CNA  _C5_    48     1.37800   119.90349    74.35781
   55    54 S   HC   _H8_    49     1.08342   117.50041     0.33455
   56    54 S   CM   _C4_    50     1.33125   122.04348   179.73020
   57    56 S   HC   _H7_    51     1.08141   123.04555  -179.53987
   58    56 S   CDX  _C7_    52     1.48202   116.31098    -0.72335
   59    58 S   NNC  _N5_    53     1.30462   121.89636     1.38692
   60    58 S   NND  _N6_    56     1.37252   118.49543  -178.39294
   61    60 S   H    _H9_    57     1.01405   122.25872    -1.06716
   62    60 S   H    _H10    58     1.01396   120.35517  -178.48651
   63    50 S   C    _C6_    54     1.40757   119.66199  -104.30975
   64    63 S   O    _O33    55     1.23173   121.60005     1.61277
  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
  10   5   4   2   1   1  12   6  11   7  12   7   4   1  11   5
   4   9   2   1   1   8   4   7   3   6   5   3   1   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    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    51    45  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    50    51    49    45    46  
   41    42    43    47    51    45  
   42    43    44    47    48    50    51    49    52    45    46  
   43    44    47    51    49    45    46  
   44    47    48    50    54    63    51    49    52    53    45    46  
   47    48    50    51    49    52    45  
   46    47    49    51  
    0  
   48    50    54    55    56    59    63    64    51    49    52  
   50    54    63    51    49  
   52    53    50    51  
   54    55    56    57    58    59    63    64    51  
   54    63  
   53  
    0  
   55    56    57    58    59    63    64    60  
   56    57    58    63  
   57    58    59    63    60    61    62  
   58    59    60  
   59    63    64    60    61    62  
   63    64    60    61    62  
   61    62    63  
   62  
    0  
   64  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.187300   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.480000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   49   3.1800   0.2500  -0.547100   1.7990   1.5900   0.005000000   0.000000000
   50   3.2500   0.1700  -0.560000   1.8100   1.6000   0.054801302  -1.445846770
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.1800   0.2500   0.609100   2.2900   2.0360   0.003973653   1.685851020
   53   3.1800   0.2500  -0.309300   1.7990   1.5900   0.005000000   0.000000000
   54   3.5000   0.0800   0.100000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0800  -0.060000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0800   0.460000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.2500   0.1700  -0.540000   1.8375   1.6250   0.005000000   0.000000000
   60   3.2500   0.1700  -0.790000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7500   0.1050   0.550000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.480000   1.5250   1.4250   0.001000000  -1.480495490
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   268.000  1.529
   39    51   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   280.000  1.455
   47    48   340.000  1.090
   47    50   275.000  1.479
   47    51   320.000  1.380
   50    54   448.000  1.365
   50    63   418.000  1.388
   54    55   367.000  1.080
   54    56   549.000  1.340
   56    57   340.000  1.080
   56    58   427.000  1.433
   58    59   585.000  1.311
   58    60   481.000  1.340
   59    63   457.000  1.358
   63    64   570.000  1.229
   60    61   434.000  1.010
   60    62   434.000  1.010
   49    52   555.000  1.236
   52    53   920.000  1.138
   45    46   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    58.35000  112.70000
   33    39    51    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    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    51    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    75.00000  111.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    50    75.00000  107.44000
   43    47    51    90.00000  108.56700
   43    49    52    85.00000  115.26000
   47    43    44    45.00000  108.72000
   47    50    54    70.00000  121.20000
   47    50    63    70.00000  117.60000
   50    47    48    55.00000  103.44000
   50    54    55    35.00000  119.10000
   50    54    56    70.00000  121.20000
   50    63    59    70.00000  118.60000
   50    63    64    80.00000  120.60000
   54    56    57    35.00000  120.00000
   54    56    58    85.00000  117.00000
   56    54    55    35.00000  119.70000
   56    58    59    70.00000  121.02800
   56    58    60    70.00000  120.10000
   58    56    57    35.00000  123.30000
   58    59    63    70.00000  123.15400
   58    60    61    35.00000  120.00000
   58    60    62    35.00000  120.00000
   59    63    64    80.00000  122.50000
   63    50    54    70.00000  121.60000
   60    58    59    70.00000  119.30000
   62    60    61    35.00000  120.00000
   51    39    40    35.00000  109.50000
   51    39    41    50.00000  109.50000
   51    47    48    35.00000  109.50000
   51    47    50   105.00000  106.22000
   49    43    44    50.00000  111.08000
   49    43    47    75.00000  111.50000
   49    52    53    50.00000  173.69900
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    51   0.56750  1.0 1.0
   29    33    39    51  -0.07550 -1.0 2.0
   29    33    39    51   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    51    47   0.06250  1.0 1.0
   33    39    51    47  -0.01100 -1.0 2.0
   33    39    51    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    51   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    51   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.56750  1.0 1.0
   39    41    43    49  -0.07550 -1.0 2.0
   39    41    43    49   0.20000  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    51    47   0.37050  1.0 3.0
   41    39   -51    47   0.06250  1.0 1.0
   41    39   -51    47  -0.01100 -1.0 2.0
   41    39   -51    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    50  -0.27100  1.0 1.0
   41    43    47    50  -0.01700 -1.0 2.0
   41    43    47    50  -0.48600  1.0 3.0
   41    43   -47    51   0.62750  1.0 1.0
   41    43   -47    51  -0.30950 -1.0 2.0
   41    43   -47    51   0.27300  1.0 3.0
   41    43    49    52   0.00000  1.0 1.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.15000  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    50    54   2.08450  1.0 1.0
   43    47    50    54  -0.39300 -1.0 2.0
   43    47    50    54   0.23400  1.0 3.0
   43    47    50    63  -0.43950  1.0 1.0
   43    47    50    63  -0.08100 -1.0 2.0
   43    47    50    63   0.03350  1.0 3.0
   43    47   -51    39   0.06250  1.0 1.0
   43    47   -51    39  -0.01100 -1.0 2.0
   43    47   -51    39   0.28050  1.0 3.0
   43    49    52    53   0.00000  1.0 1.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    47    51   0.23400  1.0 3.0
   44    43    49    52   0.15100  1.0 3.0
   47    43    49    52   0.00000  1.0 1.0
   47    50    54    55   1.88100 -1.0 2.0
   47    50    54    56  -0.88150  1.0 1.0
   47    50    54    56   2.95600 -1.0 2.0
   47    50    63    59   3.62500 -1.0 2.0
   47    50    63    64   3.04450 -1.0 2.0
   48    47    50    54   0.00000  1.0 1.0
   48    47    50    63   0.00000  1.0 1.0
   48    47    51    39   0.37050  1.0 3.0
   50    47    51    39  -2.37750  1.0 1.0
   50    47    51    39  -0.08150 -1.0 2.0
   50    47    51    39   0.59000  1.0 3.0
   50    54    56    57   0.97550 -1.0 2.0
   50    54    56    58   7.00000 -1.0 2.0
   54    50    63    59   3.62500 -1.0 2.0
   54    50    63    64   2.67200 -1.0 2.0
   54    56   -58    59   7.00000 -1.0 2.0
   54    56    58    60   7.00000 -1.0 2.0
   55    54    56    57   7.00000 -1.0 2.0
   55    54    56    58   7.00000 -1.0 2.0
   56    58    59    63   3.62500 -1.0 2.0
   56    58    60    61   0.70000 -1.0 2.0
   56    58    60    62   0.70000 -1.0 2.0
   57    56    58    59   7.00000 -1.0 2.0
   57    56    58    60   7.00000 -1.0 2.0
   58    59   -63    50   3.62500 -1.0 2.0
   58    59    63    64   3.04450 -1.0 2.0
   59    58    60    61   0.70000 -1.0 2.0
   59    58    60    62   0.70000 -1.0 2.0
   63    50    54    55   1.44600  1.0 1.0
   63    50   -54    56  -0.18900  1.0 1.0
   63    50   -54    56   1.70900 -1.0 2.0
   60    58    59    63   3.62500 -1.0 2.0
   51    39    41    42   0.23400  1.0 3.0
   51    39   -41    43   0.62750  1.0 1.0
   51    39   -41    43  -0.30950 -1.0 2.0
   51    39   -41    43   0.27300  1.0 3.0
   51    39    41    45   3.69350  1.0 1.0
   51    39    41    45  -1.82950 -1.0 2.0
   51    47    50    54  -0.28000  1.0 1.0
   51    47    50    54  -1.16550 -1.0 2.0
   51    47    50    63  -2.75650  1.0 1.0
   51    47    50    63  -1.18150 -1.0 2.0
   51    47    50    63   0.81900  1.0 3.0
   49    43    47    48   0.15000  1.0 3.0
   49    43    47    50   0.56750  1.0 1.0
   49    43    47    50  -0.07550 -1.0 2.0
   49    43    47    50   0.20000  1.0 3.0
   49    43    47    51   0.56750  1.0 1.0
   49    43    47    51  -0.07550 -1.0 2.0
   49    43    47    51   0.20000  1.0 3.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   0.56750  1.0 1.0
   45    41    43    49  -0.07550 -1.0 2.0
   45    41    43    49   0.20000  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
   37    30    36    38  10.50000 -1.0 2.0
   54    63    50    47   1.00000 -1.0 2.0
   50    55    54    56   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   60    56    58    59  10.50000 -1.0 2.0
   50    59    63    64  10.50000 -1.0 2.0
   62    58    60    61   1.00000 -1.0 2.0
END
