* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    129    206     385
    1     0 S   NP   _N1_     1    28.89005    95.97247   -23.29341
    2     1 S   H    _HN1     2     1.02949    75.27461    11.84982
    3     1 S   H    _H1_     3     1.02832    35.35469   165.40560
    4     1 S   H    _H2_     4     1.02786   104.29575   -93.76038
    5     1 S   CT   _CA1     5     1.50101   138.05007   116.18162
    6     5 S   HC   _HA1     6     1.09572   105.21676    87.17715
    7     5 S   CO3  _C1_     7     1.53792   112.40533   -33.11460
    8     7 S   O2Z  _O11     8     1.26374   115.00159   -44.09075
    9     7 S   O2Z  _O12     9     1.26235   114.94047   135.06655
   10     5 S   CT   _CB1    10     1.53082   107.44011  -154.82486
   11    10 S   HC   HB11    11     1.09832   109.42436   -49.69216
   12    10 S   HC   HB12    12     1.09813   110.44390    66.92900
   13    10 S   CT   _CG1    13     1.52997   112.56432  -170.65145
   14    13 S   HC   HG11    14     1.09583   110.63307   -64.74469
   15    13 S   HC   HG12    15     1.09668   109.78981    54.48112
   16    13 S   C    _CD1    16     1.51800   112.21708   174.98819
   17    16 S   O    _OE1    17     1.22715   123.21345     6.94280
   18    16 S   N    _N2_    18     1.38612   111.64419  -173.33838
   19    18 S   H    _HN2    19     1.01573   118.97583     1.31015
   20    18 S   CT1  _CA2    20     1.46213   123.45234   177.91569
   21    20 S   HC   _HA2    21     1.09576   109.38950    -1.98347
   22    20 S   C    _C2_    22     1.53508   108.16900  -117.11865
   23    22 S   O    _O2_    23     1.23034   122.44231  -145.97306
   24    20 S   CT   _CB2    32     1.53280   111.57001   120.66992
   25    24 S   HC   HB21    33     1.09650   109.69219    59.60817
   26    24 S   HC   HB22    34     1.09559   111.12832   177.20138
   27    22 S   N    _N3_    24     1.38403   113.50644    41.19917
   28    27 S   H    _HN3    25     1.01601   119.47834    -2.91558
   29    24 S   S    _SG2    35     1.82817   113.93440   -60.00453
   30    27 S   CT   _CA3    26     1.45265   123.19432   177.16835
   31    30 S   HC   HA31    27     1.09551   107.45351   -65.69181
   32    30 S   HC   HA32    28     1.09558   108.04164    50.73578
   33    29 S   CT   _C4_    36     1.82992    99.47485   -72.44273
   34    33 S   HC   _H7_    37     1.09445   107.57449   -57.14365
   35    33 S   HC   _H8_    38     1.09286   108.34660    61.47721
   36    30 S   CO3  _C3_    29     1.52952   114.11963   172.75600
   37    36 S   O2Z  _O31    30     1.26370   116.09833    -1.65623
   38    36 S   O2Z  _O32    31     1.26436   114.40361   178.44657
   39    33 S   CT   _C5_    39     1.53511   110.65348  -178.21031
   40    39 S   HC   _H3_    40     1.09881   109.15790   -49.84116
   41    39 S   CT   _C6_    41     1.55600   111.59495  -169.99795
   42    41 S   HC   _H4_    42     1.09997   107.84007    64.88567
   43    41 S   CT   _C7_    43     1.55551   110.38024  -175.39296
   44    41 S   OS   _O37    68     1.43431   108.08687   -55.60426
   45    43 S   CT   _C8_    44     1.53341   108.58376    52.33375
   46    45 S   HC   _H5_    45     1.09955   108.47608    64.25978
   47    43 S   OH   _O35    64     1.42512   111.79366   172.06298
   48    47 S   HO   _H14    65     0.97227   107.95614    21.36380
   49    43 S   OH   _O36    66     1.42880   109.54570   -67.08082
   50    49 S   HO   _H15    67     0.97169   107.75602   -44.59306
   51    44 S   PR   _P1_    69     1.62197   118.11679   135.75629
   52    51 S   OM   _O39    70     1.63981    97.63203  -176.66153
   53    51 S   OM   _O38    71     1.64064    98.08550   -77.42097
   54    45 S   CO   _C9_    46     1.54005   109.64890   -55.43084
   55    54 S   HC   _H6_    47     1.09851   111.24635   -58.39015
   56    54 S   NE   _N4_    48     1.45617   108.65387  -175.71984
   57    56 S   H    _H9_    49     1.01300   119.11728  -155.72877
   58    39 S   OS   _O33    63     1.44256   108.24078    68.12828
   59    56 S   CM   _C10    50     1.39923   122.14387    42.28543
   60    59 S   CM   _C11    51     1.36008   116.49865   -14.65509
   61    60 S   C    _C12    52     1.48402   119.09158   178.32182
   62    61 S   O    _O34    53     1.22720   122.20477  -179.59170
   63    45 S   NE   _N8_    61     1.46135   113.80280  -176.83715
   64    63 S   H    _H13    62     1.01512   119.53228   -36.27754
   65    61 S   N    _N5_    54     1.37560   113.84306     0.59017
   66    65 S   H    _H10    55     1.01349   117.75290   179.89532
   67    65 S   CDX  _C13    56     1.38017   123.40112     0.19483
   68    59 S   NI   _N6_    57     1.38075   120.85260   164.88936
   69    67 S   NE   _N7_    58     1.36623   115.86060   179.58316
   70    69 S   H    _H11    59     1.01374   120.38434  -180.00000
   71    69 S   H    _H12    60     1.01276   122.06363    -0.00000
  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  13   6  15   7  15   7  15   9   5   1
   3   1   2   1   1   9   5   8   4   2   9   8   8   4   3   1
   6   3   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    58  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    54    58    44  
   35    39    40    41    58  
   39    40    41    58  
   37    38  
   38  
    0  
   40    41    42    43    45    54    55    56    58    47    49    44    51  
   41    42    43    54    58    44  
   42    43    45    46    54    63    58    47    48    49    50    44    51    52    53  
   43    45    58    47    49    44    51  
   45    46    54    55    56    60    63    64    58    47    48    49    50    44    51  
   51    52    53    45    47    49    58  
   46    54    55    56    57    59    60    61    63    64    58    47    48    49    50  
   54    55    56    60    63    64    58    47    49  
   48    49    50    54    63  
   49  
   50    54    63  
    0  
   52    53  
   53  
    0  
   55    56    57    59    60    68    63    64    58  
   56    57    59    63    58  
   57    59    60    61    67    68    63    58  
   59    60    68    58  
   59    63  
   60    61    62    65    67    68    69    63    64  
   61    62    65    66    67    68    63    64  
   62    65    66    67    68    69    63    64  
   65    66    67    63  
   64    65    68  
    0  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    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   0.140000   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   0.530000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   54   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.494200   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.038700   2.0020   1.7750   0.023028004  -0.852763146
   61   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   64   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   65   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   66   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   67   3.7500   0.1050   0.546500   2.1120   1.8750   0.001000000  -0.126889456
   68   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   69   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.360000   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   268.000  1.529
   39    58   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    44   320.000  1.410
   43    45   268.000  1.529
   43    47   320.000  1.410
   43    49   320.000  1.410
   45    46   340.000  1.090
   45    54   250.000  1.527
   45    63   382.000  1.448
   54    55   340.000  1.090
   54    56   320.000  1.442
   54    58   320.000  1.380
   56    57   434.000  1.010
   56    59   425.000  1.378
   59    60   549.000  1.340
   59    68   405.000  1.380
   60    61   410.000  1.444
   60    63   425.000  1.378
   61    62   570.000  1.229
   61    65   490.000  1.335
   65    66   434.000  1.010
   65    67   400.000  1.380
   67    68   650.000  1.285
   67    69   445.000  1.380
   69    70   434.000  1.010
   69    71   434.000  1.010
   63    64   434.000  1.010
   47    48   553.000  0.945
   49    50   553.000  0.945
   44    51   325.000  1.672
   51    52   325.000  1.672
   51    53   325.000  1.672
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    58    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    44    50.00000  109.50000
   39    58    54    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    45    58.35000  112.70000
   41    43    47    50.00000  109.50000
   41    43    49    50.00000  109.50000
   41    44    51   100.00000  120.50000
   43    41    42    37.50000  110.70000
   43    45    46    37.50000  110.70000
   43    45    54    75.00000  109.43000
   43    45    63    80.00000  111.61500
   43    47    48    55.00000  108.50000
   43    49    50    55.00000  108.50000
   45    54    55    45.00000  112.01100
   45    54    56    85.00000  109.98000
   45    54    58    90.00000  108.56700
   45    63    60    50.00000  121.00000
   45    63    64    35.00000  112.50000
   54    45    46    45.00000  108.72000
   54    56    57    50.00000  113.12000
   54    56    59    50.00000  121.00000
   56    54    55    50.00000  108.16000
   56    59    60    70.00000  124.03900
   56    59    68    85.00000  113.56000
   59    56    57    35.00000  114.50000
   59    60    61    70.00000  118.70000
   59    60    63    70.00000  124.03900
   59    68    67    70.00000  116.49400
   60    61    62    80.00000  125.30000
   60    61    65    80.00000  111.56200
   60    63    64    35.00000  114.50000
   61    65    66    35.00000  119.80000
   61    65    67    70.00000  120.51600
   65    61    62    80.00000  122.90000
   65    67    68    80.00000  119.04400
   65    67    69    85.00000  111.44000
   67    65    66    45.00000  120.05200
   67    69    70    35.00000  119.50000
   67    69    71    35.00000  119.50000
   68    59    60    70.00000  120.83400
   69    67    68    75.00000  124.36500
   71    69    70    35.00000  109.00000
   63    45    46    35.00000  109.50000
   63    45    54    80.00000  111.61500
   63    60    61    70.00000  117.92000
   58    39    40    35.00000  109.50000
   58    39    41    50.00000  109.50000
   58    54    55    35.00000  109.50000
   58    54    56    95.00000  112.71300
   47    43    45    50.00000  109.50000
   49    43    45    50.00000  109.50000
   49    43    47   115.00000  113.08500
   44    41    42    35.00000  109.50000
   44    41    43    50.00000  109.50000
   44    51    52    45.00000  102.60000
   44    51    53    45.00000  102.60000
   53    51    52    35.00000   94.00000
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    58   0.56750  1.0 1.0
   29    33    39    58  -0.07550 -1.0 2.0
   29    33    39    58   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    44   0.62750  1.0 1.0
   33    39    41    44  -0.30950 -1.0 2.0
   33    39    41    44   0.27300  1.0 3.0
   33    39    58    54   0.06250  1.0 1.0
   33    39    58    54  -0.01100 -1.0 2.0
   33    39    58    54   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    58   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    58   0.23400  1.0 3.0
   39    41    43    45   0.56750  1.0 1.0
   39    41    43    45  -0.07550 -1.0 2.0
   39    41    43    45   0.20000  1.0 3.0
   39    41    43    47   0.86500  1.0 1.0
   39    41    43    47  -0.17500 -1.0 2.0
   39    41    43    47   0.20800  1.0 3.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    44    51  -2.65550  1.0 1.0
   39    41    44    51  -0.22350 -1.0 2.0
   39    41    44    51   0.24150  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    44   0.23400  1.0 3.0
   40    39    58    54   0.37050  1.0 3.0
   41    39    58    54   0.06250  1.0 1.0
   41    39    58    54  -0.01100 -1.0 2.0
   41    39    58    54   0.28050  1.0 3.0
   41    43    45    46   0.15000  1.0 3.0
   41    43   -45    54   3.97050  1.0 1.0
   41    43    45    63   1.26750  1.0 1.0
   41    43    45    63  -0.00950 -1.0 2.0
   41    43    45    63   0.30600  1.0 3.0
   41    43    47    48  -0.11600  1.0 1.0
   41    43    47    48  -0.09450 -1.0 2.0
   41    43    47    48   0.21250  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   41    44    51    52   0.05050  1.0 1.0
   41    44    51    52  -1.30700 -1.0 2.0
   41    44    51    52   0.91550  1.0 3.0
   41    44    51    53   0.05050  1.0 1.0
   41    44    51    53  -1.30700 -1.0 2.0
   41    44    51    53   0.91550  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.23400  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    44    51   0.03000  1.0 3.0
   43    41    44    51  -2.65550  1.0 1.0
   43    41    44    51  -0.22350 -1.0 2.0
   43    41    44    51   0.24150  1.0 3.0
   43    45    54    55   0.15000  1.0 3.0
   43    45    54    56   1.26750  1.0 1.0
   43    45    54    56  -0.00950 -1.0 2.0
   43    45    54    56   0.30600  1.0 3.0
   43    45    54    58   0.62750  1.0 1.0
   43    45    54    58  -0.30950 -1.0 2.0
   43    45    54    58   0.27300  1.0 3.0
   43    45    63    60   0.25450  1.0 1.0
   43    45    63    60  -0.61700 -1.0 2.0
   43    45    63    60  -0.23550  1.0 3.0
   43    45    63    64   0.00000  1.0 1.0
   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    43    49    50  -0.11600  1.0 1.0
   45    43    49    50  -0.09450 -1.0 2.0
   45    43    49    50   0.21250  1.0 3.0
   45    54    56    57   0.00000  1.0 1.0
   45    54    56    59   0.25450  1.0 1.0
   45    54    56    59  -0.61700 -1.0 2.0
   45    54    56    59  -0.23550  1.0 3.0
   45    54   -58    39   0.06250  1.0 1.0
   45    54   -58    39  -0.01100 -1.0 2.0
   45    54   -58    39   0.28050  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    56   0.22950  1.0 3.0
   46    45    54    58   0.23400  1.0 3.0
   46    45    63    60   0.00000  1.0 1.0
   46    45    63    64   0.00000  1.0 1.0
   54    45    63    60   0.25450  1.0 1.0
   54    45    63    60  -0.61700 -1.0 2.0
   54    45    63    60  -0.23550  1.0 3.0
   54    45    63    64   0.00000  1.0 1.0
   54    56   -59    60  -0.54700  1.0 1.0
   54    56   -59    60   1.23000 -1.0 2.0
   54    56    59    68   1.00000 -1.0 2.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    59   0.00000  1.0 1.0
   55    54    58    39   0.37050  1.0 3.0
   56    54    58    39  -0.25000  1.0 1.0
   56    54    58    39  -0.75000 -1.0 2.0
   56    54    58    39   0.50000  1.0 3.0
   56    59    60    61   7.00000 -1.0 2.0
   56    59    60    63   7.00000 -1.0 2.0
   56    59    68    67   1.00000 -1.0 2.0
   57    56    59    60   1.00000 -1.0 2.0
   57    56    59    68   1.00000 -1.0 2.0
   59    60    61    62   1.00000 -1.0 2.0
   59    60    61    65   0.49500  1.0 1.0
   59    60    61    65   1.31600 -1.0 2.0
   59    60    61    65  -0.02300  1.0 3.0
   59    60   -63    45  -0.54700  1.0 1.0
   59    60   -63    45   1.23000 -1.0 2.0
   59    60    63    64   1.00000 -1.0 2.0
   60    59    68    67   1.00000 -1.0 2.0
   60    61    65    66   2.56700 -1.0 2.0
   60    61   -65    67   2.45000 -1.0 2.0
   61    60    63    45   1.00000 -1.0 2.0
   61    60    63    64   1.00000 -1.0 2.0
   61    65    67    68  -0.56400  1.0 1.0
   61    65    67    68   0.77500 -1.0 2.0
   61    65    67    68   0.18700  1.0 3.0
   61    65    67    69  -0.56400  1.0 1.0
   61    65    67    69   0.77500 -1.0 2.0
   61    65    67    69   0.18700  1.0 3.0
   62    61    65    66   2.45000 -1.0 2.0
   62    61    65    67   2.67200 -1.0 2.0
   65    67   -68    59   6.00000 -1.0 2.0
   65    67    69    70   1.00000 -1.0 2.0
   65    67    69    71   1.00000 -1.0 2.0
   66    65    67    68   1.00000 -1.0 2.0
   66    65    67    69   1.00000 -1.0 2.0
   68    59   -60    61   7.00000 -1.0 2.0
   68    59    60    63   7.00000 -1.0 2.0
   68    67    69    70   1.50000 -1.0 2.0
   68    67    69    71   1.50000 -1.0 2.0
   69    67    68    59   6.00000 -1.0 2.0
   63    45    54    55   0.22950  1.0 3.0
   63    45   -54    56   2.20050  1.0 1.0
   63    45   -54    56   0.63450 -1.0 2.0
   63    45   -54    56  -0.91300  1.0 3.0
   63    45    54    58   2.03850  1.0 1.0
   63    45    54    58  -0.40600 -1.0 2.0
   63    60    61    62  -0.52200  1.0 1.0
   63    60    61    62   0.82950 -1.0 2.0
   63    60    61    65   1.50000 -1.0 2.0
   58    39    41    42   0.23400  1.0 3.0
   58    39   -41    43   0.62750  1.0 1.0
   58    39   -41    43  -0.30950 -1.0 2.0
   58    39   -41    43   0.27300  1.0 3.0
   58    39    41    44   1.11900  1.0 1.0
   58    39    41    44  -1.16350 -1.0 2.0
   58    39    41    44  -0.34150  1.0 3.0
   58    54    56    57  -1.49000  1.0 1.0
   58    54    56    57  -2.58450 -1.0 2.0
   58    54    56    59   0.75000  1.0 1.0
   58    54    56    59  -0.75000 -1.0 2.0
   47    43    45    46   0.23400  1.0 3.0
   47    43    45    54   0.86500  1.0 1.0
   47    43    45    54  -0.17500 -1.0 2.0
   47    43    45    54   0.20800  1.0 3.0
   47    43    45    63   4.07950  1.0 1.0
   47    43    45    63  -0.26450 -1.0 2.0
   47    43    45    63  -0.12150  1.0 3.0
   47    43    49    50   0.13450  1.0 1.0
   47    43    49    50  -0.58300 -1.0 2.0
   47    43    49    50   0.14300  1.0 3.0
   49    43    45    46   0.23400  1.0 3.0
   49    43    45    54   0.86500  1.0 1.0
   49    43    45    54  -0.17500 -1.0 2.0
   49    43    45    54   0.20800  1.0 3.0
   49    43    45    63   4.07950  1.0 1.0
   49    43    45    63  -0.26450 -1.0 2.0
   49    43    45    63  -0.12150  1.0 3.0
   49    43    47    48   0.13450  1.0 1.0
   49    43    47    48  -0.58300 -1.0 2.0
   49    43    47    48   0.14300  1.0 3.0
   44    41    43    45   0.62750  1.0 1.0
   44    41    43    45  -0.30950 -1.0 2.0
   44    41    43    45   0.27300  1.0 3.0
   44    41    43    47   3.69350  1.0 1.0
   44    41    43    47  -1.82950 -1.0 2.0
   44    41    43    49   3.69350  1.0 1.0
   44    41    43    49  -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
   57    59    56    54   1.00000 -1.0 2.0
   56    68    59    60   1.10000 -1.0 2.0
   61    63    60    59   1.10000 -1.0 2.0
   60    65    61    62  10.50000 -1.0 2.0
   66    61    65    67   1.00000 -1.0 2.0
   65    69    67    68  10.50000 -1.0 2.0
   71    67    69    70   1.00000 -1.0 2.0
   64    60    63    45   1.00000 -1.0 2.0
END
