* LIGAND DATABASE FILE (OPLS2005)
*
001      63    62    109    163     323
    1     0 S   NP   _N1_     1    28.94475    93.84761   -22.62453
    2     1 S   H    _HN1     2     1.02812    89.28431  -114.59533
    3     1 S   H    _H1_     3     1.02834    95.18900    -6.37744
    4     1 S   H    _H2_     4     1.02992    27.28681   111.91119
    5     1 S   CT   _CA1     5     1.50523   136.82172   123.03076
    6     5 S   HC   _HA1     6     1.09661   104.64884    58.84871
    7     5 S   CO3  _C1_     7     1.54546   111.16535   -57.14401
    8     7 S   O2Z  _O11     8     1.26160   116.92432  -127.57508
    9     7 S   O2Z  _O12     9     1.26537   113.94114    51.26384
   10     5 S   CT   _CB1    10     1.53087   107.05407   175.35810
   11    10 S   HC   HB11    11     1.09823   110.41785   -39.25470
   12    10 S   HC   HB12    12     1.09783   109.81839    77.38738
   13    10 S   CT   _CG1    13     1.53071   112.23289  -159.82744
   14    13 S   HC   HG11    14     1.09517   110.92903   -48.47174
   15    13 S   HC   HG12    15     1.09638   109.93552    70.33245
   16    13 S   C    _CD1    16     1.51672   112.04580  -169.36609
   17    16 S   O    _OE1    17     1.22720   123.19088   -12.11771
   18    16 S   N    _N2_    18     1.38541   111.66372   168.07271
   19    18 S   H    _HN2    19     1.01565   119.16206     4.15393
   20    18 S   CT1  _CA2    20     1.46044   123.35074  -175.18167
   21    20 S   HC   _HA2    21     1.09605   109.37146    -2.48396
   22    20 S   C    _C2_    22     1.53389   108.95845  -118.15912
   23    22 S   O    _O2_    23     1.23036   122.11686  -146.13873
   24    20 S   CT   _CB2    32     1.53374   111.12499   119.40560
   25    24 S   HC   HB21    33     1.09658   109.65500    62.38093
   26    24 S   HC   HB22    34     1.09563   111.04239   179.82196
   27    22 S   N    _N3_    24     1.38476   113.54193    41.29868
   28    27 S   H    _HN3    25     1.01498   118.98754    -0.46309
   29    24 S   S    _SG2    35     1.82949   114.21705   -57.14203
   30    27 S   CT   _CA3    26     1.45442   123.39781   175.03679
   31    30 S   HC   HA31    27     1.09524   109.24899    25.01102
   32    30 S   HC   HA32    28     1.09497   107.14520   142.00579
   33    29 S   CT   _C7_    36     1.83093    99.71225   -69.27881
   34    33 S   HC   _H7_    37     1.09650   107.32371   -47.20548
   35    33 S   HC   _H8_    38     1.09494   108.15671    67.73340
   36    30 S   CO3  _C3_    29     1.52909   112.99650   -98.46314
   37    36 S   O2Z  _O31    30     1.26407   115.33833   -47.00403
   38    36 S   O2Z  _O32    31     1.26344   115.03329   133.89899
   39    33 S   CT   _C6_    39     1.54448   113.47318  -169.75013
   40    39 S   CO3  _C8_    40     1.56939   109.74183    65.79956
   41    40 S   O2Z  _O34    41     1.26682   115.35225    49.19558
   42    40 S   O2Z  _O33    42     1.26417   116.02861  -131.91699
   43    39 S   CT   _C5_    43     1.54873   114.36134   -61.47044
   44    43 S   HC   _H5_    44     1.09964   108.80379  -177.61928
   45    43 S   HC   _H6_    45     1.09747   110.05946    67.68568
   46    39 S   NT   _N4_    61     1.48163   107.53761   178.45288
   47    46 S   H    _H9_    62     1.02119   109.12482   -60.70940
   48    46 S   H    _H10    63     1.02002   109.46471  -176.36358
   49    43 S   CT   _C4_    46     1.53755   115.31263   -55.86496
   50    49 S   HC   _H3_    47     1.09471   110.01288    68.83582
   51    49 S   HC   _H4_    48     1.09539   110.09369   -49.54350
   52    49 S   CT   _C9_    49     1.52896   111.63602  -169.53251
   53    52 S   HC   _H11    50     1.09380   109.32739    51.97905
   54    52 S   HC   _H12    51     1.09455   109.52247   171.56744
   55    52 S   NG   _N5_    52     1.47071   111.64909   -69.90876
   56    55 S   H    _H13    53     1.02079   119.32189   -25.94663
   57    55 S   CG   _C10    54     1.38428   124.11541   152.63478
   58    57 S   NG   _N7_    55     1.37963   118.90581  -179.35898
   59    58 S   H    _H16    56     1.01985   120.32004    -3.26872
   60    58 S   H    _H17    57     1.01495   121.84959   179.81443
   61    57 S   NG   _N6_    58     1.38024   122.27665     1.13194
   62    61 S   H    _H14    59     1.01589   120.80019  -179.69162
   63    61 S   H    _H15    60     1.01454   122.11380     0.79795
  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
  13   5   4   2   1   1  13   9   3   2  12   6   5   3   1   1
   8   5   4   7   4   3   8   3   6   5   2   1   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    43    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45    49    46    47    48  
   35    39    40    43    46  
   39    40    43    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    49    50    51    52    46    47    48  
   41    42    43    44    45    49    46    47    48  
   42    43    46  
   43    46  
   44    45    49    50    51    52    53    54    55    46    47    48  
   45    49    50    51    52    46  
   49    50    51    52    46  
   47    48    49  
   48  
    0  
   50    51    52    53    54    55    56    57  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    61  
   54    55    56    57  
   55    56    57  
   56    57    58    59    60    61    62    63  
   57    58    61  
   58    59    60    61    62    63  
   59    60    61    62    63  
   60    61  
   61  
   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  -0.063800   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   0.523200   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.231300   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.3000   0.1700  -1.020600   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   48   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   57   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   58   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   62   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.460000   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   317.000  1.522
   39    43   268.000  1.529
   39    46   382.000  1.448
   40    41   656.000  1.250
   40    42   656.000  1.250
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   337.000  1.463
   55    56   434.000  1.010
   55    57   481.000  1.340
   57    58   481.000  1.340
   57    61   481.000  1.340
   58    59   434.000  1.010
   58    60   434.000  1.010
   61    62   434.000  1.010
   61    63   434.000  1.010
   46    47   434.000  1.010
   46    48   434.000  1.010
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    70.00000  109.69300
   33    39    43    58.35000  112.70000
   33    39    46    56.20000  109.47000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    70.00000  117.00000
   39    40    42    70.00000  117.00000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    58.35000  112.70000
   39    46    47    35.00000  109.50000
   39    46    48    35.00000  109.50000
   42    40    41    80.00000  126.00000
   43    39    40    70.00000  109.69300
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    58.35000  112.70000
   45    43    44    33.00000  107.80000
   49    43    44    37.50000  110.70000
   49    43    45    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    80.00000  111.20000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    35.00000  118.40000
   52    55    57    50.00000  123.20000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    57    58    70.00000  120.00000
   55    57    61    70.00000  120.00000
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  120.00000
   57    58    60    35.00000  120.00000
   57    61    62    35.00000  120.00000
   57    61    63    35.00000  120.00000
   60    58    59    35.00000  120.00000
   61    57    58    70.00000  120.00000
   63    61    62    35.00000  120.00000
   46    39    40    80.00000  109.96600
   46    39    43    56.20000  109.47000
   48    46    47    43.60000  106.40000
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   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    39    40    41   0.41150 -1.0 2.0
   33    39    40    42   0.41150 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    49   0.56750  1.0 1.0
   33    39    43    49  -0.07550 -1.0 2.0
   33    39    43    49   0.20000  1.0 3.0
   33    39    46    47  -0.05950  1.0 1.0
   33    39    46    47   0.08850 -1.0 2.0
   33    39    46    47   0.11750  1.0 3.0
   33    39    46    48  -0.05950  1.0 1.0
   33    39    46    48   0.08850 -1.0 2.0
   33    39    46    48   0.11750  1.0 3.0
   34    33    39    40  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    51   0.15000  1.0 3.0
   39    43    49    52   0.56750  1.0 1.0
   39    43    49    52  -0.07550 -1.0 2.0
   39    43    49    52   0.20000  1.0 3.0
   40    39    43    44  -0.11250  1.0 3.0
   40    39    43    45  -0.11250  1.0 3.0
   40    39    43    49  -1.63150  1.0 1.0
   40    39    43    49  -0.43550 -1.0 2.0
   40    39    43    49   0.24500  1.0 3.0
   40    39    46    47   0.21900  1.0 1.0
   40    39    46    47  -0.24900 -1.0 2.0
   40    39    46    47   0.15200  1.0 3.0
   40    39    46    48   0.21900  1.0 1.0
   40    39    46    48  -0.24900 -1.0 2.0
   40    39    46    48   0.15200  1.0 3.0
   43    39    40    41   0.41150 -1.0 2.0
   43    39    40    42   0.41150 -1.0 2.0
   43    39    46    47  -0.05950  1.0 1.0
   43    39    46    47   0.08850 -1.0 2.0
   43    39    46    47   0.11750  1.0 3.0
   43    39    46    48  -0.05950  1.0 1.0
   43    39    46    48   0.08850 -1.0 2.0
   43    39    46    48   0.11750  1.0 3.0
   43    49    52    53   0.15000  1.0 3.0
   43    49    52    54   0.15000  1.0 3.0
   43    49    52    55   1.34550  1.0 1.0
   43    49    52    55  -0.31050 -1.0 2.0
   43    49    52    55   0.95500  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    52   0.15000  1.0 3.0
   45    43    49    50   0.15000  1.0 3.0
   45    43    49    51   0.15000  1.0 3.0
   45    43    49    52   0.15000  1.0 3.0
   49    52    55    56  -0.09500  1.0 1.0
   49    52    55    56  -0.20850 -1.0 2.0
   49    52    55    56   0.20900  1.0 3.0
   49    52    55    57   0.25550 -1.0 2.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55  -0.29100  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55  -0.29100  1.0 3.0
   52    55    57    58   3.96800 -1.0 2.0
   52    55    57    61   3.96800 -1.0 2.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.08850  1.0 3.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    57   0.08850  1.0 3.0
   55    57    58    59   1.50000 -1.0 2.0
   55    57    58    60   1.50000 -1.0 2.0
   55    57    61    62   1.50000 -1.0 2.0
   55    57    61    63   1.50000 -1.0 2.0
   56    55    57    58   1.50000 -1.0 2.0
   56    55    57    61   1.50000 -1.0 2.0
   58    57    61    62   1.50000 -1.0 2.0
   58    57    61    63   1.50000 -1.0 2.0
   61    57    58    59   1.50000 -1.0 2.0
   61    57    58    60   1.50000 -1.0 2.0
   46    39    40    41   0.30150 -1.0 2.0
   46    39    40    42   0.30150 -1.0 2.0
   46    39    43    44   0.15000  1.0 3.0
   46    39    43    45   0.15000  1.0 3.0
   46    39    43    49   1.53400  1.0 1.0
   46    39    43    49  -0.09950 -1.0 2.0
   46    39    43    49   0.05700  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
   41    39    40    42  10.50000 -1.0 2.0
   56    57    55    52   1.00000 -1.0 2.0
   55    58    57    61  10.50000 -1.0 2.0
   60    57    58    59   1.00000 -1.0 2.0
   62    63    61    57   1.00000 -1.0 2.0
END
