* LIGAND DATABASE FILE (OPLS2005)
*
001      77    77    136    205     398
    1     0 S   NP   _N1_     1    29.07052   100.26203   -19.31811
    2     1 S   H    _HN1     2     1.02961    57.02256    -5.30120
    3     1 S   H    _H1_     3     1.02838    57.96283   139.72147
    4     1 S   H    _H2_     4     1.02802    96.08303  -113.09453
    5     1 S   CT   _CA1     5     1.50116   151.72478    65.75117
    6     5 S   HC   _HA1     6     1.09560   105.20735   119.83385
    7     5 S   CO3  _C1_     7     1.53744   112.39465    -0.34774
    8     7 S   O2Z  _O11     8     1.26352   115.16753   -44.34507
    9     7 S   O2Z  _O12     9     1.26366   115.36854   134.91183
   10     5 S   CT   _CB1    10     1.53204   107.35945  -122.21859
   11    10 S   HC   HB11    11     1.09819   109.50963   -49.59814
   12    10 S   HC   HB12    12     1.09802   110.47886    67.14280
   13    10 S   CT   _CG1    13     1.52882   112.37242  -170.51270
   14    13 S   HC   HG11    14     1.09392   110.26911   -65.30236
   15    13 S   HC   HG12    15     1.09593   109.61146    53.73499
   16    13 S   C    _CD1    16     1.51837   112.73590   174.55594
   17    16 S   O    _OE1    17     1.22708   123.28131     9.22927
   18    16 S   N    _N2_    18     1.38594   111.60475  -171.28630
   19    18 S   H    _HN2    19     1.01483   118.54504     6.17908
   20    18 S   CT1  _CA2    20     1.45837   123.13592   175.53568
   21    20 S   HC   _HA2    21     1.09688   109.15234    23.77968
   22    20 S   C    _C2_    22     1.52951   106.23983   -93.24073
   23    22 S   O    _O2_    23     1.23007   122.91310   -28.85012
   24    20 S   CT   _CB2    32     1.53198   112.41518   147.75489
   25    24 S   HC   HB21    33     1.09524   110.30894    52.06634
   26    24 S   HC   HB22    34     1.09552   110.36790   169.81482
   27    22 S   N    _N3_    24     1.38445   112.62272   154.01990
   28    27 S   H    _HN3    25     1.01653   120.40261    -2.16039
   29    24 S   S    _SG2    35     1.82942   111.91025   -71.41811
   30    27 S   CT   _CA3    26     1.45361   122.47223   178.55965
   31    30 S   HC   HA31    27     1.09566   107.79662   -56.27443
   32    30 S   HC   HA32    28     1.09563   107.62383    60.05967
   33    29 S   CT   _C16    36     1.82957    99.85246   130.26794
   34    33 S   HC   _H23    37     1.09601   107.87789   161.08356
   35    33 S   HC   _H24    38     1.09499   108.13363    46.46801
   36    30 S   CO3  _C3_    29     1.52893   114.31426  -178.14818
   37    36 S   O2Z  _O31    30     1.26339   116.04965     0.61517
   38    36 S   O2Z  _O32    31     1.26435   114.41610  -179.41919
   39    33 S   CT   _C11    39     1.53524   112.14772   -77.44964
   40    39 S   HC   _H3_    40     1.09300   110.02036    45.01503
   41    39 S   CT   _C12    41     1.54072   111.91661   -76.09477
   42    41 S   HC   _H12    42     1.09621   109.64432    51.50255
   43    41 S   HC   _H13    43     1.09754   110.22825   -65.82843
   44    39 S   NS   _N4_    59     1.48191   108.74964   163.66472
   45    44 S   H    _H11    60     1.02541   118.60177    86.24145
   46    41 S   CT   _C13    44     1.53028   112.37242   171.94183
   47    46 S   HC   _H14    45     1.09501   109.60263   -53.82137
   48    46 S   HC   _H15    46     1.09552   110.53826    63.37821
   49    44 S   SY   _S1_    61     1.69723   121.35506   -93.65885
   50    49 S   OY   _O33    62     1.44952   108.70812  -178.90657
   51    49 S   OY   _O34    63     1.44950   109.16565    47.77733
   52    46 S   CT   _C14    47     1.52628   111.70693  -175.49211
   53    52 S   HC   _H16    48     1.09473   109.30616   -70.90049
   54    52 S   HC   _H17    49     1.09461   110.53477    50.32174
   55    49 S   CA   _C8_    64     1.76902   101.88932   -66.23328
   56    52 S   NG   _N5_    50     1.47012   110.41466   169.14777
   57    56 S   H    _H18    51     1.02126   119.59315   -14.03763
   58    55 S   CA   _C7_    65     1.39427   120.01413   107.83098
   59    58 S   HA   _H8_    66     1.08604   121.69824     0.55743
   60    56 S   CG   _C15    52     1.38261   123.55300   168.46431
   61    58 S   CA   _C6_    67     1.39507   119.33125  -178.84377
   62    61 S   HA   _H7_    68     1.08757   119.15559   179.83214
   63    60 S   NG   _N7_    53     1.37956   119.02449   179.06205
   64    63 S   H    _H21    54     1.01751   120.49976    -3.30328
   65    63 S   H    _H22    55     1.01508   121.57379  -179.77015
   66    60 S   NG   _N6_    56     1.37994   121.87283    -0.90222
   67    66 S   H    _H19    57     1.01579   120.92110   179.87180
   68    66 S   H    _H20    58     1.01495   121.77945     0.97759
   69    61 S   CA   _C5_    69     1.40115   120.56585     0.21306
   70    69 S   CA   _C10    70     1.40124   119.23765    -1.84525
   71    70 S   HA   _H10    71     1.08735   120.26224  -178.62371
   72    69 S   CT   _C4_    74     1.49921   120.27309  -179.18483
   73    72 S   HC   _H4_    75     1.09426   110.01269    86.35219
   74    72 S   HC   _H5_    76     1.09504   110.99880  -153.15738
   75    72 S   HC   _H6_    77     1.09509   110.80128   -34.16678
   76    55 S   CA   _C9_    72     1.39422   119.05239   -72.64307
   77    76 S   HA   _H9_    73     1.08626   121.23689    -0.39860
  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
  11   5   4   2   1   1  14   7  12   6   5   8   4   8   5   4
   9   4   3   7   4   3   9   8   3   8   4   6   9   3   5   2
   1   2   1   1   8   7   3   4   2   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    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    44    45    49  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    46    47    48    52    44    45    49    50    51    55  
   41    42    43    46    44    45    49  
   42    43    46    47    48    52    53    54    56    44    45    49  
   43    46    47    48    52    44  
   46    47    48    52    44  
   45    49    50    51    55    58    76    46  
   49    50    51    55  
   47    48    52    53    54    56    57    60  
   48    52    53    54    56  
   52    53    54    56  
   50    51    55    58    59    61    70    76    77  
   51    55    58    76  
   55    58    76  
   53    54    56    57    60    63    66  
   54    56    57    60  
   56    57    60  
   58    59    61    62    69    70    71    76    77  
   57    60    63    64    65    66    67    68  
   60    63    66  
   59    61    62    69    70    76    77    72  
   61    62    69    76  
   63    64    65    66    67    68  
   62    69    70    71    76    72    73    74    75  
   69    70    72  
   64    65    66    67    68  
   65    66  
   66  
   67    68  
   68  
    0  
   70    71    76    77    72    73    74    75  
   71    76    77    72    73    74    75  
   76    77    72  
   73    74    75    76  
   74    75  
   75  
    0  
   77  
    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   0.084200   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   0.095400   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.083300   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.2500   0.1700  -0.652700   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   50   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   51   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   64   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   67   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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    44   300.000  1.458
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   337.000  1.463
   56    57   434.000  1.010
   56    60   481.000  1.340
   60    63   481.000  1.340
   60    66   481.000  1.340
   63    64   434.000  1.010
   63    65   434.000  1.010
   66    67   434.000  1.010
   66    68   434.000  1.010
   44    45   500.000  1.020
   44    49   245.000  1.722
   49    50   735.000  1.471
   49    51   735.000  1.471
   49    55   225.000  1.779
   55    58   469.000  1.400
   55    76   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    62   367.000  1.080
   61    69   469.000  1.400
   69    70   469.000  1.400
   69    72   317.000  1.510
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    77   367.000  1.080
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
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    44    80.00000  110.21000
   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    37.50000  110.70000
   39    41    46    58.35000  112.70000
   39    44    45    45.00000  110.67700
   39    44    49    75.00000  117.08200
   41    39    40    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    52    58.35000  112.70000
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    56    80.00000  111.20000
   48    46    47    33.00000  107.80000
   52    46    47    37.50000  110.70000
   52    46    48    37.50000  110.70000
   52    56    57    35.00000  118.40000
   52    56    60    50.00000  123.20000
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    60    63    70.00000  120.00000
   56    60    66    70.00000  120.00000
   60    56    57    35.00000  120.00000
   60    63    64    35.00000  120.00000
   60    63    65    35.00000  120.00000
   60    66    67    35.00000  120.00000
   60    66    68    35.00000  120.00000
   65    63    64    35.00000  120.00000
   66    60    63    70.00000  120.00000
   68    66    67    35.00000  120.00000
   44    39    40    50.00000  109.35000
   44    39    41    80.00000  110.21000
   44    49    50   115.00000  107.22500
   44    49    51   115.00000  107.22500
   44    49    55    95.00000  101.59200
   49    44    45    50.00000  110.93800
   49    55    58    65.00000  117.06700
   49    55    76    65.00000  117.06700
   51    49    50   115.00000  120.17200
   55    49    50   100.00000  107.67100
   55    49    51   100.00000  107.67100
   55    58    59    35.00000  120.00000
   55    58    61    63.00000  120.00000
   55    76    70    63.00000  120.00000
   55    76    77    35.00000  120.00000
   58    61    62    35.00000  120.00000
   58    61    69    63.00000  120.00000
   61    58    59    35.00000  120.00000
   61    69    70    63.00000  120.00000
   61    69    72    70.00000  120.00000
   69    61    62    35.00000  120.00000
   69    70    71    35.00000  120.00000
   69    70    76    63.00000  120.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    75    35.00000  109.50000
   70    76    77    35.00000  120.00000
   76    55    58    63.00000  120.00000
   76    70    71    35.00000  120.00000
   72    69    70    70.00000  120.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    46   0.56750  1.0 1.0
   33    39    41    46  -0.07550 -1.0 2.0
   33    39    41    46   0.20000  1.0 3.0
   33    39    44    45  -0.34300  1.0 1.0
   33    39    44    45  -0.06000 -1.0 2.0
   33    39    44    49  -0.71500  1.0 1.0
   33    39    44    49  -0.42400 -1.0 2.0
   33    39    44    49   0.18500  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    44   0.15000  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    44   0.15000  1.0 3.0
   39    41    46    47   0.15000  1.0 3.0
   39    41    46    48   0.15000  1.0 3.0
   39    41    46    52   0.56750  1.0 1.0
   39    41    46    52  -0.07550 -1.0 2.0
   39    41    46    52   0.20000  1.0 3.0
   39    44    49    50  -0.30400  1.0 1.0
   39    44    49    50   0.50450 -1.0 2.0
   39    44    49    50   0.65550  1.0 3.0
   39    44    49    51  -0.30400  1.0 1.0
   39    44    49    51   0.50450 -1.0 2.0
   39    44    49    51   0.65550  1.0 3.0
   39    44    49    55  -0.64500  1.0 1.0
   39    44    49    55  -1.19050 -1.0 2.0
   39    44    49    55  -0.04400  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    46   0.15000  1.0 3.0
   40    39    44    45   0.07700  1.0 3.0
   40    39    44    49   0.15000  1.0 3.0
   41    39    44    45  -0.34300  1.0 1.0
   41    39    44    45  -0.06000 -1.0 2.0
   41    39    44    49  -0.71500  1.0 1.0
   41    39    44    49  -0.42400 -1.0 2.0
   41    39    44    49   0.18500  1.0 3.0
   41    46    52    53   0.15000  1.0 3.0
   41    46    52    54   0.15000  1.0 3.0
   41    46    52    56   1.34550  1.0 1.0
   41    46    52    56  -0.31050 -1.0 2.0
   41    46    52    56   0.95500  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    52   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    52   0.15000  1.0 3.0
   46    52    56    57  -0.09500  1.0 1.0
   46    52    56    57  -0.20850 -1.0 2.0
   46    52    56    57   0.20900  1.0 3.0
   46    52    56    60   0.25550 -1.0 2.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    54   0.15000  1.0 3.0
   47    46    52    56  -0.29100  1.0 3.0
   48    46    52    53   0.15000  1.0 3.0
   48    46    52    54   0.15000  1.0 3.0
   48    46    52    56  -0.29100  1.0 3.0
   52    56    60    63   3.96800 -1.0 2.0
   52    56    60    66   3.96800 -1.0 2.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    60   0.08850  1.0 3.0
   54    52    56    57   0.00000  1.0 1.0
   54    52    56    60   0.08850  1.0 3.0
   56    60    63    64   1.50000 -1.0 2.0
   56    60    63    65   1.50000 -1.0 2.0
   56    60    66    67   1.50000 -1.0 2.0
   56    60    66    68   1.50000 -1.0 2.0
   57    56    60    63   1.50000 -1.0 2.0
   57    56    60    66   1.50000 -1.0 2.0
   63    60    66    67   1.50000 -1.0 2.0
   63    60    66    68   1.50000 -1.0 2.0
   66    60    63    64   1.50000 -1.0 2.0
   66    60    63    65   1.50000 -1.0 2.0
   44    39    41    42   0.15000  1.0 3.0
   44    39    41    43   0.15000  1.0 3.0
   44    39    41    46   1.18100  1.0 1.0
   44    39    41    46  -0.23750 -1.0 2.0
   44    39    41    46   0.34300  1.0 3.0
   44    49    55    58  -0.49050  1.0 1.0
   44    49    55    58   0.22250 -1.0 2.0
   44    49    55    58  -0.39350  1.0 3.0
   44    49    55    76  -0.49050  1.0 1.0
   44    49    55    76   0.22250 -1.0 2.0
   44    49    55    76  -0.39350  1.0 3.0
   45    44    49    50   1.12100  1.0 1.0
   45    44    49    50   0.54800 -1.0 2.0
   45    44    49    50  -0.29400  1.0 3.0
   45    44    49    51   1.12100  1.0 1.0
   45    44    49    51   0.54800 -1.0 2.0
   45    44    49    51  -0.29400  1.0 3.0
   45    44    49    55   1.01100  1.0 1.0
   45    44    49    55  -0.22250 -1.0 2.0
   45    44    49    55   1.33750  1.0 3.0
   49    55    58    59   3.62500 -1.0 2.0
   49    55    58    61   3.62500 -1.0 2.0
   49    55    76    70   3.62500 -1.0 2.0
   49    55    76    77   3.62500 -1.0 2.0
   50    49    55    58   0.19500  1.0 1.0
   50    49    55    58   0.12000 -1.0 2.0
   50    49    55    76   0.19500  1.0 1.0
   50    49    55    76   0.12000 -1.0 2.0
   51    49    55    58   0.19500  1.0 1.0
   51    49    55    58   0.12000 -1.0 2.0
   51    49    55    76   0.19500  1.0 1.0
   51    49    55    76   0.12000 -1.0 2.0
   55    58    61    62   3.62500 -1.0 2.0
   55    58    61    69   3.62500 -1.0 2.0
   58    55    76    70   3.62500 -1.0 2.0
   58    55    76    77   3.62500 -1.0 2.0
   58    61   -69    70   3.62500 -1.0 2.0
   58    61    69    72   3.62500 -1.0 2.0
   59    58    61    62   3.62500 -1.0 2.0
   59    58    61    69   3.62500 -1.0 2.0
   61    69    70    71   3.62500 -1.0 2.0
   61    69    70    76   3.62500 -1.0 2.0
   61    69    72    73   0.00000  1.0 1.0
   61    69    72    74   0.00000  1.0 1.0
   61    69    72    75   0.00000  1.0 1.0
   62    61    69    70   3.62500 -1.0 2.0
   62    61    69    72   3.62500 -1.0 2.0
   69    70   -76    55   3.62500 -1.0 2.0
   69    70    76    77   3.62500 -1.0 2.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    74   0.00000  1.0 1.0
   70    69    72    75   0.00000  1.0 1.0
   71    70    76    55   3.62500 -1.0 2.0
   71    70    76    77   3.62500 -1.0 2.0
   76    55    58    59   3.62500 -1.0 2.0
   76    55   -58    61   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    76   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
   57    60    56    52   1.00000 -1.0 2.0
   56    63    60    66  10.50000 -1.0 2.0
   65    60    63    64   1.00000 -1.0 2.0
   67    68    66    60   1.00000 -1.0 2.0
   45    49    44    39   1.00000 -1.0 2.0
   58    76    55    49   4.00000 -1.0 2.0
   61    59    58    55   1.10000 -1.0 2.0
   69    62    61    58   1.10000 -1.0 2.0
   70    72    69    61   4.00000 -1.0 2.0
   76    71    70    69   1.10000 -1.0 2.0
   70    77    76    55   1.10000 -1.0 2.0
END
