* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    125    191     362
    1     0 S   NP   _N1_     1    28.92706    94.03444   -19.28501
    2     1 S   H    _HN1     2     1.02965   105.56450    53.32457
    3     1 S   H    _H1_     3     1.02841    28.18031   150.62819
    4     1 S   H    _H2_     4     1.02788    82.14926   -53.51343
    5     1 S   CT   _CA1     5     1.50055   133.52434  -166.73825
    6     5 S   HC   _HA1     6     1.09595   105.27418    39.20701
    7     5 S   CO3  _C1_     7     1.53817   112.28446   -80.76986
    8     7 S   O2Z  _O11     8     1.26298   115.16574   -50.94935
    9     7 S   O2Z  _O12     9     1.26259   114.88095   128.49902
   10     5 S   CT   _CB1    10     1.53146   107.40644   156.71206
   11    10 S   HC   HB11    11     1.09798   109.28300   -54.55926
   12    10 S   HC   HB12    12     1.09831   110.47618    61.96386
   13    10 S   CT   _CG1    13     1.52915   112.48416  -175.98015
   14    13 S   HC   HG11    14     1.09406   109.61017   -61.22399
   15    13 S   HC   HG12    15     1.09598   110.49819    57.72565
   16    13 S   C    _CD1    16     1.51726   112.24411   178.02543
   17    16 S   O    _OE1    17     1.22740   122.93646   -24.20128
   18    16 S   N    _N2_    18     1.38578   111.87150   157.04615
   19    18 S   H    _HN2    19     1.01647   118.78057     2.57724
   20    18 S   CT1  _CA2    20     1.46271   123.69260  -177.83102
   21    20 S   HC   _HA2    21     1.09732   109.07542   -24.01112
   22    20 S   C    _C2_    22     1.53464   107.94036  -139.68671
   23    22 S   O    _O2_    23     1.23000   122.32205  -146.10703
   24    20 S   CT   _CB2    32     1.53668   111.81298    98.41684
   25    24 S   HC   HB21    33     1.09553   109.89965    53.42682
   26    24 S   HC   HB22    34     1.09528   110.49264   171.89688
   27    22 S   N    _N3_    24     1.38522   113.29814    41.09442
   28    27 S   H    _HN3    25     1.01541   118.94228    -0.36850
   29    24 S   S    _SG2    35     1.82828   111.98018   -68.42725
   30    27 S   CT   _CA3    26     1.45434   123.42554   175.48048
   31    30 S   HC   HA31    27     1.09527   109.15699    25.32821
   32    30 S   HC   HA32    28     1.09494   107.11704   142.32394
   33    29 S   CA   _C16    36     1.79686    99.75101   171.64892
   34    30 S   CO3  _C3_    29     1.52935   113.24774   -98.09170
   35    34 S   O2Z  _O31    30     1.26394   115.49636   -41.82623
   36    34 S   O2Z  _O32    31     1.26368   114.92158   139.11506
   37    33 S   CA   _C11    37     1.40817   121.22854   -83.05965
   38    37 S   CA   _C12    38     1.39979   121.39694   179.57525
   39    38 S   HA   _H8_    39     1.08802   120.34714  -179.21242
   40    37 S   NIX  _N7_    53     1.45399   121.47911     0.00000
   41    40 S   ONX  _O41    54     1.27738   118.88420   -63.03745
   42    38 S   CA   _C13    40     1.39741   119.06774     0.46013
   43    40 S   NN   _N6_    55     1.27674   114.59436   117.78543
   44    42 S   CA   _C14    41     1.40365   122.85220     1.28527
   45    42 S   NO2  _N9_    50     1.44689   116.49413  -178.10535
   46    45 S   ON   _O40    51     1.23745   117.02493   112.22604
   47    45 S   ON   _O39    52     1.23739   116.92768   -67.09926
   48    43 S   CA   _C6_    56     1.40979   117.95365  -178.05177
   49    33 S   CA   _C15    42     1.41527   121.68238    97.68555
   50    44 S   CT   _C17    46     1.50664   121.86374  -179.85065
   51    50 S   HC   _H9_    47     1.09440   109.90776    90.21232
   52    50 S   HC   _H10    48     1.09418   111.92670  -148.64044
   53    50 S   HC   _H11    49     1.09462   111.73955   -30.80099
   54    48 S   CA   _C7_    57     1.40493   117.41934   102.13379
   55    54 S   HA   _H6_    58     1.08757   118.69901     0.33746
   56    49 S   NO2  _N8_    43     1.44930   118.62067    -1.26316
   57    56 S   ON   _O38    44     1.23757   116.92732    86.84992
   58    56 S   ON   _O37    45     1.23752   116.79520   -93.84184
   59    54 S   CA   _C8_    59     1.39732   120.30563  -179.86878
   60    59 S   CA   _C9_    60     1.39192   121.05103    -0.24549
   61    60 S   HA   _H7_    61     1.08716   121.38433   178.22095
   62    59 S   NO2  _N5_    71     1.45732   119.28174   179.13137
   63    62 S   ON   _O36    72     1.23932   117.53799   -24.44327
   64    62 S   ON   _O35    73     1.23828   117.64798   155.09842
   65    60 S   CA   _C10    62     1.39858   118.03757    -0.54068
   66    48 S   CA   _C5_    63     1.41284   122.45257   -80.25519
   67    65 S   NO2  _N4_    68     1.44875   116.62448   179.08357
   68    67 S   ON   _O34    69     1.23798   116.89090    61.49414
   69    67 S   ON   _O33    70     1.23743   117.32510  -118.22405
   70    66 S   CT   _C4_    64     1.50622   120.45041     0.36850
   71    70 S   HC   _H3_    65     1.09424   110.08065    93.57895
   72    70 S   HC   _H4_    66     1.09479   111.33333  -145.11544
   73    70 S   HC   _H5_    67     1.09447   111.67210   -27.21014
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  13   2   1   1  11  11   4   7   2  10   7  11   4   1   1  12
   7   4   2   1   1  10   4   2   1   1   8  10   4   3   1   1
   8   7   3   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    49    56    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    44    49    56    57    58    50    40    41    43  
   35    36  
   36  
    0  
   38    39    42    44    49    56    45    40    41    43    48  
   39    42    44    49    50    45    46    47    40    41    43  
   42    44    45    40  
   41    43    48    54    66    42    49  
   43    48  
   44    49    56    50    51    52    53    45    46    47  
   48    54    55    59    65    66    70  
   49    56    57    58    50    51    52    53    45    46    47  
   46    47    49    50  
   47  
    0  
   54    55    59    60    65    66    70    71    72    73    67    62  
   56    57    58    50    51    52    53  
   51    52    53    56  
   52    53  
   53  
    0  
   55    59    60    61    65    66    70    62    63    64  
   59    60    66    62  
   57    58  
   58  
    0  
   60    61    65    66    67    62    63    64  
   61    65    66    70    67    68    69    62    63    64  
   65    66    67    62  
   63    64    65  
   64  
    0  
   66    70    71    72    73    67    68    69  
   70    71    72    73    67    68    69  
   68    69    70  
   69  
    0  
   71    72    73  
   72    73  
   73  
    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  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700   0.122500   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   39   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   40   3.2500   0.1200   0.977500   1.9050   1.6860   0.051222218  -2.220205820
   41   2.9600   0.1700  -1.100000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.2500   0.1700  -0.030800   1.8375   1.6250   0.005000000   0.000000000
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   46   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   47   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   48   3.5500   0.0700   0.030800   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   57   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   58   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   59   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   63   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   64   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   65   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   68   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   69   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   250.000  1.760
   33    37   469.000  1.400
   33    49   469.000  1.400
   37    38   469.000  1.400
   37    40   315.000  1.443
   38    39   367.000  1.080
   38    42   469.000  1.400
   42    44   469.000  1.400
   42    45   400.000  1.460
   44    49   469.000  1.400
   44    50   317.000  1.510
   49    56   400.000  1.460
   56    57   550.000  1.225
   56    58   550.000  1.225
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   45    46   550.000  1.225
   45    47   550.000  1.225
   40    41   635.000  1.253
   40    43   470.000  1.272
   43    48   370.000  1.400
   48    54   469.000  1.400
   48    66   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   469.000  1.400
   59    62   400.000  1.460
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    66   469.000  1.400
   65    67   400.000  1.460
   66    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   67    68   550.000  1.225
   67    69   550.000  1.225
   62    63   550.000  1.225
   62    64   550.000  1.225
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    49    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    40    70.00000  116.91600
   33    49    44    63.00000  120.00000
   33    49    56    85.00000  120.00000
   37    38    39    35.00000  120.00000
   37    38    42    63.00000  120.00000
   37    40    41    90.00000  120.88000
   37    40    43    85.00000  116.84000
   38    42    44    63.00000  120.00000
   38    42    45    85.00000  120.00000
   42    38    39    35.00000  120.00000
   42    44    49    63.00000  120.00000
   42    44    50    70.00000  120.00000
   42    45    46    80.00000  117.50000
   42    45    47    80.00000  117.50000
   44    49    56    85.00000  120.00000
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   49    33    37    63.00000  120.00000
   49    56    57    80.00000  117.50000
   49    56    58    80.00000  117.50000
   58    56    57    80.00000  125.30000
   50    44    49    70.00000  120.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   45    42    44    85.00000  120.00000
   47    45    46    80.00000  125.30000
   40    37    38    70.00000  116.91600
   40    43    48    80.00000  114.00000
   43    40    41   100.00000  126.35300
   43    48    54    70.00000  119.16000
   43    48    66    70.00000  119.16000
   48    54    55    35.00000  120.00000
   48    54    59    63.00000  120.00000
   48    66    65    63.00000  120.00000
   48    66    70    70.00000  120.00000
   54    59    60    63.00000  120.00000
   54    59    62    85.00000  120.00000
   59    54    55    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    65    63.00000  120.00000
   59    62    63    80.00000  117.50000
   59    62    64    80.00000  117.50000
   60    65    66    63.00000  120.00000
   60    65    67    85.00000  120.00000
   65    60    61    35.00000  120.00000
   65    66    70    70.00000  120.00000
   65    67    68    80.00000  117.50000
   65    67    69    80.00000  117.50000
   66    48    54    63.00000  120.00000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   67    65    66    85.00000  120.00000
   69    67    68    80.00000  125.30000
   62    59    60    85.00000  120.00000
   64    62    63    80.00000  125.30000
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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.63250 -1.0 2.0
   24    29    33    49   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    40   3.62500 -1.0 2.0
   29    33    49    44   3.62500 -1.0 2.0
   29    33    49    56   3.62500 -1.0 2.0
   33    37    38    39   3.62500 -1.0 2.0
   33    37    38    42   3.62500 -1.0 2.0
   33    37    40    41   0.25000 -1.0 2.0
   33    37    40    43   0.25000 -1.0 2.0
   33    49    56    57   0.69950 -1.0 2.0
   33    49    56    58   0.69950 -1.0 2.0
   37    33    49    44   3.62500 -1.0 2.0
   37    33    49    56   3.62500 -1.0 2.0
   37    38   -42    44   3.62500 -1.0 2.0
   37    38    42    45   3.62500 -1.0 2.0
   37    40    43    48   2.00000 -1.0 2.0
   38    37    40    41   0.25000 -1.0 2.0
   38    37    40    43   0.25000 -1.0 2.0
   38    42    44    49   3.62500 -1.0 2.0
   38    42    44    50   3.62500 -1.0 2.0
   38    42    45    46   0.69950 -1.0 2.0
   38    42    45    47   0.69950 -1.0 2.0
   39    38    42    44   3.62500 -1.0 2.0
   39    38    42    45   3.62500 -1.0 2.0
   42    44   -49    33   3.62500 -1.0 2.0
   42    44    49    56   3.62500 -1.0 2.0
   42    44    50    51   0.00000  1.0 1.0
   42    44    50    52   0.00000  1.0 1.0
   42    44    50    53   0.00000  1.0 1.0
   44    42    45    46   0.69950 -1.0 2.0
   44    42    45    47   0.69950 -1.0 2.0
   44    49    56    57   0.69950 -1.0 2.0
   44    49    56    58   0.69950 -1.0 2.0
   49    33   -37    38   3.62500 -1.0 2.0
   49    33    37    40   3.62500 -1.0 2.0
   49    44    50    51   0.00000  1.0 1.0
   49    44    50    52   0.00000  1.0 1.0
   49    44    50    53   0.00000  1.0 1.0
   50    44    49    33   3.62500 -1.0 2.0
   50    44    49    56   3.62500 -1.0 2.0
   45    42    44    49   3.62500 -1.0 2.0
   45    42    44    50   3.62500 -1.0 2.0
   40    37    38    39   3.62500 -1.0 2.0
   40    37    38    42   3.62500 -1.0 2.0
   40    43    48    54   1.25000 -1.0 2.0
   40    43    48    66   1.25000 -1.0 2.0
   41    40    43    48   2.00000 -1.0 2.0
   43    48    54    55   3.62500 -1.0 2.0
   43    48    54    59   3.62500 -1.0 2.0
   43    48    66    65   3.62500 -1.0 2.0
   43    48    66    70   3.62500 -1.0 2.0
   48    54    59    60   3.62500 -1.0 2.0
   48    54    59    62   3.62500 -1.0 2.0
   48    66    70    71   0.00000  1.0 1.0
   48    66    70    72   0.00000  1.0 1.0
   48    66    70    73   0.00000  1.0 1.0
   54    48    66    65   3.62500 -1.0 2.0
   54    48    66    70   3.62500 -1.0 2.0
   54    59    60    61   3.62500 -1.0 2.0
   54    59   -60    65   3.62500 -1.0 2.0
   54    59    62    63   0.69950 -1.0 2.0
   54    59    62    64   0.69950 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    54    59    62   3.62500 -1.0 2.0
   59    60    65    66   3.62500 -1.0 2.0
   59    60    65    67   3.62500 -1.0 2.0
   60    59    62    63   0.69950 -1.0 2.0
   60    59    62    64   0.69950 -1.0 2.0
   60    65   -66    48   3.62500 -1.0 2.0
   60    65    66    70   3.62500 -1.0 2.0
   60    65    67    68   0.69950 -1.0 2.0
   60    65    67    69   0.69950 -1.0 2.0
   61    60    65    66   3.62500 -1.0 2.0
   61    60    65    67   3.62500 -1.0 2.0
   65    66    70    71   0.00000  1.0 1.0
   65    66    70    72   0.00000  1.0 1.0
   65    66    70    73   0.00000  1.0 1.0
   66    48    54    55   3.62500 -1.0 2.0
   66    48   -54    59   3.62500 -1.0 2.0
   66    65    67    68   0.69950 -1.0 2.0
   66    65    67    69   0.69950 -1.0 2.0
   67    65    66    48   3.62500 -1.0 2.0
   67    65    66    70   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    65   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
   35    30    34    36  10.50000 -1.0 2.0
   37    49    33    29   4.00000 -1.0 2.0
   38    40    37    33   4.00000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   44    45    42    38   4.00000 -1.0 2.0
   49    50    44    42   4.00000 -1.0 2.0
   44    56    49    33   4.00000 -1.0 2.0
   57    49    56    58  10.50000 -1.0 2.0
   46    42    45    47  10.50000 -1.0 2.0
   54    66    48    43   4.00000 -1.0 2.0
   59    55    54    48   1.10000 -1.0 2.0
   60    62    59    54   4.00000 -1.0 2.0
   65    61    60    59   1.10000 -1.0 2.0
   66    67    65    60   4.00000 -1.0 2.0
   65    70    66    48   4.00000 -1.0 2.0
   68    65    67    69  10.50000 -1.0 2.0
   63    59    62    64  10.50000 -1.0 2.0
END
