* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    127    213     378
    1     0 S   NP   _N1_     1    28.64020    95.86600   -23.56436
    2     1 S   H    _HN1     2     1.02949    70.69784    22.02931
    3     1 S   H    _H1_     3     1.02828    39.46714   178.23875
    4     1 S   H    _H2_     4     1.02792   105.59054   -82.39018
    5     1 S   CT   _CA1     5     1.50120   138.91123   121.28076
    6     5 S   HC   _HA1     6     1.09575   105.17546    93.96730
    7     5 S   CO3  _C1_     7     1.53778   112.47937   -26.24346
    8     7 S   O2Z  _O11     8     1.26373   115.00729   -42.23099
    9     7 S   O2Z  _O12     9     1.26242   114.94637   136.85336
   10     5 S   CT   _CB1    10     1.53074   107.41660  -148.05913
   11    10 S   HC   HB11    11     1.09837   109.34172   -49.57758
   12    10 S   HC   HB12    12     1.09811   110.46510    67.02560
   13    10 S   CT   _CG1    13     1.53006   112.62185  -170.53552
   14    13 S   HC   HG11    14     1.09576   110.67457   -66.61780
   15    13 S   HC   HG12    15     1.09671   109.73473    52.61682
   16    13 S   C    _CD1    16     1.51814   112.14024   173.07774
   17    16 S   O    _OE1    17     1.22741   123.21417     9.38992
   18    16 S   N    _N2_    18     1.38640   111.70842  -170.52948
   19    18 S   H    _HN2    19     1.01570   118.99601     1.42697
   20    18 S   CT1  _CA2    20     1.46223   123.47903   177.31212
   21    20 S   HC   _HA2    21     1.09751   109.24764     7.92939
   22    20 S   C    _C2_    22     1.53715   109.31865  -107.56570
   23    22 S   O    _O2_    23     1.23098   122.18745  -151.79700
   24    20 S   CT   _CB2    32     1.53358   111.38623   129.86286
   25    24 S   HC   HB21    33     1.09522   109.91553    54.85589
   26    24 S   HC   HB22    34     1.09098   109.78705   173.72958
   27    22 S   N    _N3_    24     1.38291   113.98344    35.78474
   28    27 S   H    _HN3    25     1.01531   119.57638    -3.36720
   29    24 S   S    _SG2    35     1.82915   111.22939   -66.44805
   30    27 S   CT   _CA3    26     1.45275   123.27835   177.02461
   31    30 S   HC   HA31    27     1.09549   107.51501   -64.67341
   32    30 S   HC   HA32    28     1.09555   107.99447    51.78027
   33    29 S   CT   _C21    36     1.84431   101.06092  -175.40803
   34    33 S   OM   _O37    37     1.31689   109.29950  -179.54115
   35    30 S   CO3  _C3_    29     1.52974   114.04102   173.78337
   36    35 S   O2Z  _O31    30     1.26387   116.07896    -0.33338
   37    35 S   O2Z  _O32    31     1.26428   114.42842   179.73093
   38    33 S   CM   _C22    38     1.49233   110.08969   -60.41533
   39    38 S   HC   _H6_    39     1.09249   116.81172   -41.44189
   40    38 S   CMA  _C23    40     1.34913   125.68199   135.92205
   41    40 S   OM   _O36    41     1.26130   127.56071  -175.24680
   42    40 S   CM   _C18    42     1.50084   118.91876     4.12398
   43    42 S   CM   _C19    43     1.36447   119.37096   -20.03130
   44    43 S   CM   _C14    44     1.47202   120.27816  -174.67741
   45    33 S   CO4  _C20    71     1.52857   109.33586    63.20757
   46    45 S   O    _O35    72     1.23601   121.47381    45.25856
   47    44 S   CO4  _C15    45     1.49255   112.88537   -39.15387
   48    47 S   O    _O39    46     1.22147   125.05801  -133.56832
   49    44 S   CM   _C12    52     1.35350   127.32675   135.90877
   50    47 S   CM   _C16    47     1.47636   112.25918    46.85981
   51    50 S   HC   _H5_    48     1.08271   118.38247   154.48658
   52    49 S   CO4  _C13    53     1.49380   121.40918    -4.62487
   53    52 S   O    _O34    54     1.22428   122.41731   -35.54047
   54    42 S   CM   _C17    49     1.50366   125.39110   157.55979
   55    52 S   CA   _C8_    55     1.48345   116.76160   147.22420
   56    54 S   OH   _O38    50     1.38467   119.01378    13.92111
   57    56 S   HO   _H7_    51     0.97546   107.25777     1.03854
   58    55 S   CA   _C9_    56     1.40281   120.47225    15.30055
   59    58 S   CA   _C4_    57     1.40127   120.56777  -178.67973
   60    59 S   HA   _H3_    58     1.08699   120.67663  -179.92598
   61    58 S   CO4  _C10    67     1.47574   120.99572     2.60459
   62    61 S   O    _O33    68     1.22135   122.90891  -178.80123
   63    59 S   CA   _C5_    59     1.39242   119.47888    -0.22728
   64    49 S   CO4  _C11    69     1.48434   122.98265  -179.87805
   65    64 S   O    _O40    70     1.21908   125.92790    39.66328
   66    63 S   CA   _C6_    60     1.39040   120.79911    -0.23323
   67    66 S   HA   _H4_    61     1.08696   120.18039  -179.83929
   68    63 S   OH   _O42    65     1.36624   121.06284   180.00000
   69    68 S   HO   _H9_    66     0.97250   108.77126    -0.25411
   70    55 S   CA   _C7_    62     1.40451   120.68749  -164.09254
   71    70 S   OH   _O41    63     1.36922   123.50966    -0.84233
   72    71 S   HO   _H8_    64     0.97412   109.28031    -5.38642
  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   8   5   4   3
  10   6   2   1   1   8   4   8   3  11  11  14   4   1   8   4
  10   4   2  10   4   2  12   1   1  11  10   4   5   2   6   1
   1   6   3   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    43    45    46  
   36    37  
   37  
    0  
   39    40    41    42    43    54    45    46  
   40    41    42    45  
   41    42    43    44    50    54    56    45  
   42    43    54  
   43    44    47    50    51    54    56    57    49    45    46  
   44    47    48    50    54    56    49    52    64    45    46  
   47    48    50    51    54    49    52    53    55    61    64    65    45    46  
   46    47    49    54  
    0  
   48    50    51    54    56    49    52    64  
   50    51    54    49  
   52    53    55    58    70    61    62    64    65    50  
   51    54    56    57  
   54    56  
   53    55    58    59    66    70    71    61    64    65  
   55    58    70    64  
   56    57  
   58    59    60    63    66    67    70    71    72    61    62    64  
   57  
    0  
   59    60    63    66    70    71    68    61    62    64    65  
   60    63    66    67    70    68    69    61    62    64  
   63    66    68    61  
   62    64    65    63    70  
   64    65  
   66    67    70    71    68    69  
   65  
    0  
   67    70    71    72    68    69  
   70    71    68  
   69    70  
    0  
   71    72  
   72  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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   570.000  1.307
   33    38   317.000  1.510
   33    45   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   549.000  1.340
   42    54   380.000  1.444
   43    44   380.000  1.444
   43    45   320.000  1.462
   44    47   320.000  1.462
   44    49   549.000  1.340
   47    48   570.000  1.229
   47    50   320.000  1.462
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    56   510.000  1.338
   56    57   553.000  0.945
   49    52   320.000  1.462
   49    64   320.000  1.462
   52    53   570.000  1.229
   52    55   310.000  1.470
   55    58   469.000  1.400
   55    70   469.000  1.400
   58    59   469.000  1.400
   58    61   310.000  1.470
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    66   469.000  1.400
   63    68   450.000  1.364
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   68    69   553.000  0.945
   61    62   570.000  1.229
   61    64   250.000  1.523
   64    65   570.000  1.229
   45    46   570.000  1.229
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    45    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    45    43    65.00000  118.62400
   33    45    46    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  117.34000
   40    42    54    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    43    44    70.00000  123.01800
   42    43    45    65.00000  118.96000
   42    54    50    70.00000  123.01800
   42    54    56    80.00000  121.38400
   43    44    47    65.00000  118.96000
   43    44    49    70.00000  123.01800
   43    45    46    80.00000  123.72100
   44    47    48    80.00000  123.72100
   44    47    50    65.00000  118.65900
   44    49    52    65.00000  118.96000
   44    49    64    65.00000  118.96000
   47    50    51    40.00000  117.72500
   47    50    54    65.00000  118.96000
   50    47    48    80.00000  123.72100
   50    54    56    80.00000  121.38400
   54    42    43    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    56    57    70.00000  107.45700
   49    44    47    65.00000  118.96000
   49    52    53    80.00000  123.72100
   49    52    55    65.00000  117.02400
   49    64    61    65.00000  116.00000
   49    64    65    80.00000  123.72100
   52    55    58    60.00000  119.52600
   52    55    70    60.00000  119.52600
   55    52    53    75.00000  123.78400
   55    58    59    63.00000  120.00000
   55    58    61    60.00000  119.52600
   55    70    66    63.00000  120.00000
   55    70    71    70.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    63    63.00000  120.00000
   58    61    62    75.00000  123.78400
   58    61    64    60.00000  117.28700
   59    63    66    63.00000  120.00000
   59    63    68    70.00000  120.00000
   63    59    60    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    70    63.00000  120.00000
   63    68    69    35.00000  113.00000
   66    70    71    70.00000  120.00000
   70    55    58    63.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    72    35.00000  113.00000
   68    63    66    70.00000  120.00000
   61    58    59    60.00000  119.52600
   61    64    65    80.00000  119.30300
   64    49    52    65.00000  115.30000
   64    61    62    80.00000  119.30300
   45    33    34    90.00000  108.74100
   45    33    38    70.00000  109.06800
   45    43    44    65.00000  118.96000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    43   0.65300  1.0 1.0
   29    33    45    43  -0.03850 -1.0 2.0
   29    33    45    43   0.33900  1.0 3.0
   29    33    45    46   0.30150 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    45    43   0.65300  1.0 1.0
   34    33    45    43  -0.03850 -1.0 2.0
   34    33    45    43   0.33900  1.0 3.0
   34    33    45    46   0.30150 -1.0 2.0
   38    33    45    43   0.65300  1.0 1.0
   38    33    45    43  -0.03850 -1.0 2.0
   38    33    45    43   0.33900  1.0 3.0
   38    33    45    46   0.30150 -1.0 2.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    54   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   7.00000 -1.0 2.0
   40    42    43    45   7.00000 -1.0 2.0
   40    42    54    50   0.28850  1.0 1.0
   40    42    54    50   2.61350 -1.0 2.0
   40    42    54    50   0.78400  1.0 3.0
   40    42    54    56   0.50950  1.0 1.0
   40    42    54    56   0.56650 -1.0 2.0
   40    42    54    56   0.34050  1.0 3.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    54   7.00000 -1.0 2.0
   42    43    44    47  -0.18600  1.0 3.0
   42    43    44    49   0.28850  1.0 1.0
   42    43    44    49   2.61350 -1.0 2.0
   42    43    44    49   0.78400  1.0 3.0
   42    43   -45    33  -0.33500  1.0 1.0
   42    43   -45    33   1.06600 -1.0 2.0
   42    43   -45    33  -0.14000  1.0 3.0
   42    43    45    46   1.00000 -1.0 2.0
   42    54    56    57  -0.66100  1.0 1.0
   42    54    56    57   1.20850 -1.0 2.0
   42    54    56    57  -0.36000  1.0 3.0
   43    42    54    50   0.28850  1.0 1.0
   43    42    54    50   2.61350 -1.0 2.0
   43    42    54    50   0.78400  1.0 3.0
   43    42    54    56   0.50950  1.0 1.0
   43    42    54    56   0.56650 -1.0 2.0
   43    42    54    56   0.34050  1.0 3.0
   43    44    47    48   1.00000 -1.0 2.0
   43    44   -47    50  -1.18350  1.0 1.0
   43    44   -47    50   1.45950 -1.0 2.0
   43    44    49    52   7.00000 -1.0 2.0
   43    44    49    64   7.00000 -1.0 2.0
   44    43    45    33  -0.33500  1.0 1.0
   44    43    45    33   1.06600 -1.0 2.0
   44    43    45    33  -0.14000  1.0 3.0
   44    43    45    46   1.00000 -1.0 2.0
   44    47    50    51   0.93700 -1.0 2.0
   44    47    50    54  -1.18350  1.0 1.0
   44    47    50    54   1.45950 -1.0 2.0
   44    49    52    53   1.00000 -1.0 2.0
   44    49    52    55  -1.65800  1.0 1.0
   44    49    52    55   0.77650 -1.0 2.0
   44    49    64    61   0.50400  1.0 1.0
   44    49    64    61   1.60000 -1.0 2.0
   44    49    64    61  -0.01800  1.0 3.0
   44    49    64    65   1.00000 -1.0 2.0
   47    44    49    52   7.00000 -1.0 2.0
   47    44    49    64   7.00000 -1.0 2.0
   47    50   -54    42   7.00000 -1.0 2.0
   47    50    54    56   7.00000 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    54   1.00000 -1.0 2.0
   50    54    56    57  -0.66100  1.0 1.0
   50    54    56    57   1.20850 -1.0 2.0
   50    54    56    57  -0.36000  1.0 3.0
   51    50    54    42   7.00000 -1.0 2.0
   51    50    54    56   7.00000 -1.0 2.0
   54    42   -43    44   7.00000 -1.0 2.0
   54    42    43    45   7.00000 -1.0 2.0
   49    44    47    48   1.00000 -1.0 2.0
   49    44    47    50  -1.18350  1.0 1.0
   49    44    47    50   1.45950 -1.0 2.0
   49    52    55    58  -0.11500  1.0 1.0
   49    52    55    58   1.10450 -1.0 2.0
   49    52    55    58  -0.48050  1.0 3.0
   49    52    55    70  -0.11500  1.0 1.0
   49    52    55    70   1.10450 -1.0 2.0
   49    52    55    70  -0.48050  1.0 3.0
   52    49    64    61   1.50000 -1.0 2.0
   52    49    64    65   2.50000 -1.0 2.0
   52    55    58    59   3.62500 -1.0 2.0
   52    55   -58    61   3.62500 -1.0 2.0
   52    55    70    66   3.62500 -1.0 2.0
   52    55    70    71   3.62500 -1.0 2.0
   53    52    55    58   1.05000 -1.0 2.0
   53    52    55    70   1.05000 -1.0 2.0
   55    58    59    60   3.62500 -1.0 2.0
   55    58    59    63   3.62500 -1.0 2.0
   55    58    61    62   1.05000 -1.0 2.0
   55    58    61    64   0.56600 -1.0 2.0
   55    70    71    72   0.84100 -1.0 2.0
   58    55    70    66   3.62500 -1.0 2.0
   58    55    70    71   3.62500 -1.0 2.0
   58    59   -63    66   3.62500 -1.0 2.0
   58    59    63    68   3.62500 -1.0 2.0
   58    61   -64    49   0.43900  1.0 1.0
   58    61   -64    49  -0.18150 -1.0 2.0
   58    61   -64    49  -0.03650  1.0 3.0
   58    61    64    65   0.03000  1.0 1.0
   58    61    64    65   0.58800 -1.0 2.0
   58    61    64    65   0.15550  1.0 3.0
   59    58    61    62   1.05000 -1.0 2.0
   59    58    61    64   0.56600 -1.0 2.0
   59    63    66    67   3.62500 -1.0 2.0
   59    63    66    70   3.62500 -1.0 2.0
   59    63    68    69   0.84100 -1.0 2.0
   60    59    63    66   3.62500 -1.0 2.0
   60    59    63    68   3.62500 -1.0 2.0
   63    66   -70    55   3.62500 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   66    63    68    69   0.84100 -1.0 2.0
   66    70    71    72   0.84100 -1.0 2.0
   67    66    70    55   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   70    55   -58    59   3.62500 -1.0 2.0
   70    55    58    61   3.62500 -1.0 2.0
   68    63    66    67   3.62500 -1.0 2.0
   68    63    66    70   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    63   3.62500 -1.0 2.0
   62    61    64    49   0.03000  1.0 1.0
   62    61    64    49   0.58800 -1.0 2.0
   62    61    64    49   0.15550  1.0 3.0
   62    61    64    65   0.06100 -1.0 2.0
   64    49    52    53   2.50000 -1.0 2.0
   64    49   -52    55   1.50000 -1.0 2.0
   45    33    38    39   0.00000  1.0 1.0
   45    33   -38    40  -0.51250  1.0 1.0
   45    33   -38    40  -0.88800 -1.0 2.0
   45    33   -38    40   0.08850  1.0 3.0
   45    43    44    47   1.08500 -1.0 2.0
   45    43    44    49  -0.18600  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    54    42    43   1.10000 -1.0 2.0
   44    45    43    42   1.10000 -1.0 2.0
   43    47    44    49   1.10000 -1.0 2.0
   44    50    47    48  10.50000 -1.0 2.0
   47    51    50    54   1.10000 -1.0 2.0
   42    56    54    50   1.10000 -1.0 2.0
   52    64    49    44   1.10000 -1.0 2.0
   49    55    52    53  10.50000 -1.0 2.0
   58    70    55    52   4.00000 -1.0 2.0
   59    61    58    55   4.00000 -1.0 2.0
   63    60    59    58   1.10000 -1.0 2.0
   66    68    63    59   4.00000 -1.0 2.0
   70    67    66    63   1.10000 -1.0 2.0
   66    71    70    55   4.00000 -1.0 2.0
   58    64    61    62  10.50000 -1.0 2.0
   49    61    64    65  10.50000 -1.0 2.0
   33    43    45    46  10.50000 -1.0 2.0
END
