* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    119    189     345
    1     0 S   NP   _N1_     1    28.79192    96.54117   -23.81921
    2     1 S   H    _HN1     2     1.02950    71.96835    12.78168
    3     1 S   H    _H1_     3     1.02829    37.60225   171.02513
    4     1 S   H    _H2_     4     1.02784   106.98166   -91.51490
    5     1 S   CT   _CA1     5     1.50105   136.93064   113.66339
    6     5 S   HC   _HA1     6     1.09572   105.20887    92.54658
    7     5 S   CO3  _C1_     7     1.53794   112.45735   -27.71338
    8     7 S   O2Z  _O11     8     1.26371   115.00873   -42.73891
    9     7 S   O2Z  _O12     9     1.26240   114.94844   136.43715
   10     5 S   CT   _CB1    10     1.53085   107.42740  -149.45724
   11    10 S   HC   HB11    11     1.09831   109.39799   -49.74513
   12    10 S   HC   HB12    12     1.09813   110.43499    66.86838
   13    10 S   CT   _CG1    13     1.52986   112.59386  -170.72803
   14    13 S   HC   HG11    14     1.09584   110.61073   -65.01992
   15    13 S   HC   HG12    15     1.09669   109.80818    54.20713
   16    13 S   C    _CD1    16     1.51797   112.26463   174.67439
   17    16 S   O    _OE1    17     1.22727   123.30546     5.75374
   18    16 S   N    _N2_    18     1.38656   111.64442  -174.37113
   19    18 S   H    _HN2    19     1.01586   118.92933     1.90475
   20    18 S   CT1  _CA2    20     1.46195   123.40188   177.80875
   21    20 S   HC   _HA2    21     1.09736   109.35747     1.75011
   22    20 S   C    _C2_    22     1.53538   108.63237  -113.73254
   23    22 S   O    _O2_    23     1.23055   122.27450  -148.20791
   24    20 S   CT   _CB2    32     1.53302   111.54894   123.73778
   25    24 S   HC   HB21    33     1.09582   110.10621    56.19607
   26    24 S   HC   HB22    34     1.09510   110.23077   175.30406
   27    22 S   N    _N3_    24     1.38327   113.69791    39.26038
   28    27 S   H    _HN3    25     1.01589   119.58088    -3.38061
   29    24 S   S    _SG2    35     1.82579   111.61374   -64.79448
   30    27 S   CT   _CA3    26     1.45289   123.20830   177.10119
   31    30 S   HC   HA31    27     1.09549   107.51472   -64.46162
   32    30 S   HC   HA32    28     1.09556   107.97973    51.97580
   33    29 S   CT   _C10    36     1.82847    98.80301   178.05922
   34    33 S   F    F1__    37     1.36529   108.54003   -56.85096
   35    33 S   F    F2__    38     1.36528   108.51212    56.73749
   36    30 S   CO3  _C3_    29     1.52958   114.07958   173.96990
   37    36 S   O2Z  _O31    30     1.26376   116.06210    -0.63980
   38    36 S   O2Z  _O32    31     1.26428   114.41461   179.42020
   39    33 S   CA   _C9_    39     1.51062   110.51226   179.96044
   40    39 S   CA   _C4_    40     1.41605   120.11396    88.56989
   41    40 S   HA   _H3_    41     1.08874   119.71769    -0.07913
   42    40 S   CA   _C5_    42     1.40184   121.64765  -179.42054
   43    42 S   HA   _H4_    43     1.08325   119.26578   177.98248
   44    42 S   CA   _C6_    44     1.38155   117.94580    -0.81084
   45    44 S   CA   _C7_    45     1.39519   120.07923     2.35551
   46    39 S   CA   _C8_    46     1.40241   120.28260   -90.04646
   47    46 S   HA   _H5_    47     1.08486   121.40513     0.04846
   48    45 S   N    _N4_    48     1.39176   108.95687   176.57675
   49    48 S   H    _H6_    49     1.01155   125.27917   179.74977
   50    48 S   C    _C11    50     1.41950   109.18626     0.20936
   51    50 S   O    _O33    51     1.22310   124.92485   177.32277
   52    44 S   N    _N5_    52     1.41363   132.25572   178.29429
   53    52 S   CA   _C12    53     1.41333   125.08425     5.46077
   54    53 S   CA   _C13    54     1.40565   120.43374    41.72090
   55    54 S   HA   _H7_    55     1.08827   120.24013     1.36516
   56    54 S   CA   _C14    56     1.40418   121.58128   178.21952
   57    56 S   CA   _C15    57     1.39680   119.16144    -1.10641
   58    57 S   HA   _H8_    58     1.08734   120.53608  -179.11884
   59    56 S   CT   _C18    64     1.50218   120.18758  -178.63599
   60    59 S   F    F3__    65     1.36220   113.36685  -155.25096
   61    59 S   F    F4__    66     1.36241   113.04979   -35.15297
   62    59 S   F    F5__    67     1.36125   112.30516    84.69298
   63    57 S   CA   _C16    59     1.39316   120.23441     0.96793
   64    63 S   HA   _H9_    60     1.08672   119.11933   178.93578
   65    53 S   CA   _C17    61     1.40340   121.68332  -140.70454
   66    65 S   OH   _O34    62     1.36987   120.16948     6.24504
   67    66 S   HO   _H10    63     0.97193   109.18123  -178.57481
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   8   3  11   8   5   1   5
   3   5   2   7  10  11   4   9   9   4   4   2   1   1   4   2
   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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    46    47  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48  
   41    42    43    44    45    46    47    52  
   42    43    44    46  
   43    44    45    46    48    50    52    53  
   44    45    52  
   45    46    47    48    49    50    51    52    53    54    65  
   46    47    48    49    50    51    52    53  
   47    48    49    50    52  
   48  
   49    50    51    52    53  
   50    51    52  
   51    52    53    54    65  
   52    53  
   53    54    55    56    63    65    66  
   54    55    56    57    63    64    65    66    67    59  
   55    56    57    58    63    65    66    59    60    61    62  
   56    57    65    59  
   57    58    63    64    65    59    60    61    62  
   58    63    64    65    66    59    60    61    62  
   63    64    65    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67  
   65    66  
   66    67  
   67  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.106600   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700  -0.472700   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   50   3.7500   0.1050   0.813700   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   52   3.2500   0.1700  -0.292500   1.8100   1.6000   0.054801302  -1.445846770
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   61   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   62   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    46   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    52   360.000  1.404
   45    46   469.000  1.400
   45    48   360.000  1.404
   46    47   367.000  1.080
   48    49   434.000  1.010
   48    50   490.000  1.335
   50    51   570.000  1.229
   50    52   490.000  1.335
   52    53   360.000  1.404
   53    54   469.000  1.400
   53    65   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   469.000  1.400
   56    59   317.000  1.510
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   450.000  1.364
   66    67   553.000  0.945
   59    60   367.000  1.332
   59    61   367.000  1.332
   59    62   367.000  1.332
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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    46    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    46    45    63.00000  120.00000
   39    46    47    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    52    70.00000  119.01900
   44    42    43    35.00000  120.00000
   44    45    46    63.00000  120.00000
   44    45    48    70.00000  119.01900
   44    52    50    65.00000  121.96500
   44    52    53    75.00000  115.74000
   45    46    47    35.00000  120.00000
   45    48    49    45.00000  118.23600
   45    48    50    65.00000  121.96500
   46    39    40    63.00000  120.00000
   48    45    46    70.00000  119.01900
   48    50    51    80.00000  122.90000
   48    50    52    90.00000  111.91700
   50    48    49    35.00000  119.80000
   50    52    53    65.00000  121.96500
   52    44    45    70.00000  119.01900
   52    50    51    80.00000  122.90000
   52    53    54    70.00000  119.01900
   52    53    65    70.00000  119.01900
   53    54    55    35.00000  120.00000
   53    54    56    63.00000  120.00000
   53    65    63    63.00000  120.00000
   53    65    66    70.00000  120.00000
   54    56    57    63.00000  120.00000
   54    56    59    70.00000  120.00000
   56    54    55    35.00000  120.00000
   56    57    58    35.00000  120.00000
   56    57    63    63.00000  120.00000
   56    59    60    50.00000  109.50000
   56    59    61    50.00000  109.50000
   56    59    62    50.00000  109.50000
   57    63    64    35.00000  120.00000
   57    63    65    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    65    66    70.00000  120.00000
   65    53    54    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  113.00000
   59    56    57    70.00000  120.00000
   61    59    60    77.00000  109.10000
   62    59    60    77.00000  109.10000
   62    59    61    77.00000  109.10000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    46  -0.16000  1.0 1.0
   29    33    39    46  -0.03200 -1.0 2.0
   29    33    39    46   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    46    45   3.62500 -1.0 2.0
   33    39    46    47   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    46    45   3.62500 -1.0 2.0
   40    39    46    47   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    52   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    48   3.62500 -1.0 2.0
   42    44    52    50   1.00100  1.0 1.0
   42    44    52    50   0.85050 -1.0 2.0
   42    44    52    53   0.70250  1.0 1.0
   42    44    52    53   1.56150 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    52   3.62500 -1.0 2.0
   44    45   -46    39   3.62500 -1.0 2.0
   44    45    46    47   3.62500 -1.0 2.0
   44    45    48    49   0.97800 -1.0 2.0
   44    45   -48    50   1.00100  1.0 1.0
   44    45   -48    50   0.85050 -1.0 2.0
   44    52    53    54   0.70250  1.0 1.0
   44    52    53    54   1.56150 -1.0 2.0
   44    52    53    65   0.70250  1.0 1.0
   44    52    53    65   1.56150 -1.0 2.0
   45    44   -52    50   1.00100  1.0 1.0
   45    44   -52    50   0.85050 -1.0 2.0
   45    44    52    53   0.70250  1.0 1.0
   45    44    52    53   1.56150 -1.0 2.0
   45    48    50    51   0.04000 -1.0 2.0
   45    48   -50    52   0.54900  1.0 1.0
   45    48   -50    52   1.90750 -1.0 2.0
   46    39    40    41   3.62500 -1.0 2.0
   46    39   -40    42   3.62500 -1.0 2.0
   46    45    48    49   0.97800 -1.0 2.0
   46    45    48    50   1.00100  1.0 1.0
   46    45    48    50   0.85050 -1.0 2.0
   48    45    46    39   3.62500 -1.0 2.0
   48    45    46    47   3.62500 -1.0 2.0
   48    50   -52    44   0.54900  1.0 1.0
   48    50   -52    44   1.90750 -1.0 2.0
   48    50    52    53   0.54900  1.0 1.0
   48    50    52    53   1.90750 -1.0 2.0
   49    48    50    51   2.45000 -1.0 2.0
   49    48    50    52   2.56700 -1.0 2.0
   50    52    53    54   1.00100  1.0 1.0
   50    52    53    54   0.85050 -1.0 2.0
   50    52    53    65   1.00100  1.0 1.0
   50    52    53    65   0.85050 -1.0 2.0
   51    50    52    44   0.04000 -1.0 2.0
   51    50    52    53   0.04000 -1.0 2.0
   52    44    45    46   3.62500 -1.0 2.0
   52    44   -45    48   3.62500 -1.0 2.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53    54    56   3.62500 -1.0 2.0
   52    53    65    63   3.62500 -1.0 2.0
   52    53    65    66   3.62500 -1.0 2.0
   53    54    56    57   3.62500 -1.0 2.0
   53    54    56    59   3.62500 -1.0 2.0
   53    65    66    67   0.84100 -1.0 2.0
   54    53    65    63   3.62500 -1.0 2.0
   54    53    65    66   3.62500 -1.0 2.0
   54    56    57    58   3.62500 -1.0 2.0
   54    56   -57    63   3.62500 -1.0 2.0
   54    56    59    60   0.00000  1.0 1.0
   54    56    59    61   0.00000  1.0 1.0
   54    56    59    62   0.00000  1.0 1.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    59   3.62500 -1.0 2.0
   56    57    63    64   3.62500 -1.0 2.0
   56    57    63    65   3.62500 -1.0 2.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   57    56    59    62   0.00000  1.0 1.0
   57    63   -65    53   3.62500 -1.0 2.0
   57    63    65    66   3.62500 -1.0 2.0
   58    57    63    64   3.62500 -1.0 2.0
   58    57    63    65   3.62500 -1.0 2.0
   63    65    66    67   0.84100 -1.0 2.0
   64    63    65    53   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   65    53    54    55   3.62500 -1.0 2.0
   65    53   -54    56   3.62500 -1.0 2.0
   59    56    57    58   3.62500 -1.0 2.0
   59    56    57    63   3.62500 -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
   40    46    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    52    44    42   4.00000 -1.0 2.0
   46    48    45    44   4.00000 -1.0 2.0
   45    47    46    39   1.10000 -1.0 2.0
   49    50    48    45   1.00000 -1.0 2.0
   48    52    50    51  10.50000 -1.0 2.0
   53    50    52    44   1.00000 -1.0 2.0
   54    65    53    52   4.00000 -1.0 2.0
   56    55    54    53   1.10000 -1.0 2.0
   57    59    56    54   4.00000 -1.0 2.0
   63    58    57    56   1.10000 -1.0 2.0
   65    64    63    57   1.10000 -1.0 2.0
   63    66    65    53   4.00000 -1.0 2.0
END
