* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    224     405
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02097    32.95394   160.43932
    3     1 S   H    _H1_     3     1.02092    88.79800   -71.13440
    4     1 S   H    _H2_     4     1.02043    91.75151    37.54056
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C21    36     1.85042    97.27658   161.84290
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C8_    37     1.49771   106.91633    59.99352
   38    37 S   HC   _H6_    38     1.09092   116.08231   -78.41223
   39    33 S   CT   _C18    49     1.53131   110.94095   -66.93256
   40    39 S   HC   _H11    50     1.10020   110.47977   159.36682
   41    39 S   HC   _H12    51     1.09743   113.26907    40.58350
   42    37 S   CMA  _C9_    39     1.34966   125.24276    99.28441
   43    42 S   OM   _O3_    40     1.26157   129.77451  -177.56305
   44    42 S   CO4  _C11    41     1.51949   115.14540     1.46914
   45    44 S   O    _O6_    42     1.22979   122.26793  -164.66597
   46    44 S   CM   _C7_    43     1.48903   118.89557    18.85399
   47    46 S   HC   _H5_    44     1.08357   116.49362   158.29988
   48    33 S   CM   _C10    45     1.50552   109.87483  -177.10518
   49    48 S   NIP  _N5_    46     1.42274   109.70901    89.24297
   50    49 S   CT1  _C20    47     1.49092   109.15160     9.15008
   51    50 S   HC   _H14    48     1.09311   108.57918  -107.25360
   52    49 S   CG   _C14    55     1.28576   122.91073  -170.68460
   53    52 S   HC   _H8_    56     1.10016   117.89130   180.00000
   54    50 S   CO3  _C16    52     1.51264   109.33281   130.15879
   55    54 S   O2Z  _O5_    53     1.26260   114.78491   120.43302
   56    54 S   O2Z  _O8_    54     1.26249   115.30604   -59.54690
   57    52 S   CM   _C13    57     1.46660   122.67470    -0.03956
   58    57 S   HC   _H7_    58     1.08372   119.95757    59.98630
   59    57 S   CM   _C12    59     1.34096   118.56457  -120.00255
   60    59 S   CM   _C6_    60     1.45725   121.78984   180.00000
   61    60 S   HC   _H4_    61     1.08526   118.36922    12.60126
   62    60 S   CM   _C4_    62     1.34280   120.03522  -168.21448
   63    62 S   NE   _N4_    63     1.37587   123.14476     2.65321
   64    63 S   H    _H3_    64     1.00436   118.11953  -161.10537
   65    62 S   CO3  _C5_    73     1.51307   116.86049  -178.73097
   66    65 S   O2Z  _O1_    74     1.26278   115.11131  -119.94295
   67    65 S   O2Z  _O33    75     1.26337   115.07205    59.98826
   68    63 S   CT1  _C19    65     1.44904   121.51533     9.57733
   69    68 S   HC   _H13    66     1.07762   111.34361    89.49038
   70    59 S   CT   _C17    67     1.51815   122.16142    -1.01124
   71    70 S   HC   _H9_    68     1.08866   110.89682   -92.93528
   72    70 S   HC   _H10    69     1.09175   107.33918    24.63391
   73    68 S   CO3  _C15    70     1.51067   106.11460  -151.88476
   74    73 S   O2Z  _O4_    71     1.26252   114.82879  -120.06405
   75    73 S   O2Z  _O7_    72     1.26302   115.23066    59.90880
  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  11   5   4   3
  16   2   1   1  12   5  12   6   5   6   3   5   3   5   2   7
  10   7   4   7   3   2   1   1   9   3  11  11   4   9  12   5
   3   1   1   7   6   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    48    49    50    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    51    39    40    41    54    52  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    50    39    40    41  
   42    43    44    48    39  
   40    41    54    55    56    52    42    46    48    49    50    51  
   41    54    48    49    50    51  
   54    48    49    50    51  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49  
   46    47    48  
   47    48    49    50    52  
   48    49  
   49    50    51    54    52    53    57  
   50    51    54    55    56    52    53    57    58    59  
   51    54    55    56    52    53    57  
   54    55    56    52  
   53    57    58    59    60    70    54  
   57    58    59  
   55    56  
   56  
    0  
   58    59    60    61    62    68    70    71    72  
   59    60    70  
   60    61    62    63    68    69    70    71    72    73    65  
   61    62    63    64    68    70    71    72    65    66    67  
   62    63    70    65  
   63    64    68    69    70    73    65    66    67  
   64    68    69    70    71    72    73    74    75    65    66    67  
   68    69    70    73    65  
   66    67    68  
   67  
    0  
   69    70    71    72    73    74    75  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72    73  
   73  
   74    75  
   75  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   49   3.2500   0.1700   0.218500   1.9050   1.6860   0.051222218  -2.220205820
   50   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.292300   2.0020   1.7750   0.023028004  -0.852763146
   63   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   65   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   222.000  1.810
   33    37   317.000  1.510
   33    48   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.476
   44    45   570.000  1.229
   44    46   320.000  1.462
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   335.000  1.413
   49    50   280.000  1.462
   49    52   635.000  1.286
   50    51   340.000  1.090
   50    39   268.000  1.529
   50    54   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   54    55   656.000  1.250
   54    56   656.000  1.250
   52    53   385.000  1.083
   52    57   400.000  1.403
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   380.000  1.444
   59    70   317.000  1.510
   60    61   340.000  1.080
   60    62   549.000  1.340
   62    63   425.000  1.378
   62    65   230.000  1.545
   63    64   434.000  1.010
   63    68   382.000  1.448
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    73   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   73    74   656.000  1.250
   73    75   656.000  1.250
   65    66   656.000  1.250
   65    67   656.000  1.250
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   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    37    75.00000  112.20000
   29    33    48    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  124.00000
   33    48    49    70.00000  115.00000
   33    39    50    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  114.61000
   42    37    38    40.00000  120.50800
   42    44    45    80.00000  120.81000
   42    44    46    65.00000  118.65900
   44    42    43    85.00000  116.28000
   44    46    47    40.00000  117.72500
   44    46    48    65.00000  118.96000
   46    44    45    80.00000  123.72100
   46    48    49    70.00000  113.56000
   48    33    37    70.00000  110.12100
   48    46    47    35.00000  120.00000
   48    49    50    70.00000  121.00000
   48    49    52    70.00000  118.46000
   49    50    51    50.00000  106.46400
   49    50    39    75.00000  111.57000
   49    50    54    75.00000  110.00000
   49    52    53    45.00000  118.03900
   49    52    57    65.00000  126.03000
   50    39    40    37.50000  110.70000
   50    39    41    37.50000  110.70000
   50    54    55    70.00000  117.00000
   50    54    56    70.00000  117.00000
   39    33    37    70.00000  112.02700
   39    33    48    70.00000  112.02700
   39    50    51    37.50000  110.70000
   41    39    40    33.00000  107.80000
   54    50    51    35.00000  109.50000
   54    50    39    63.00000  111.10000
   56    54    55    80.00000  126.00000
   52    49    50    70.00000  122.59000
   52    57    58    40.00000  116.17200
   52    57    59    65.00000  121.68800
   57    52    53    40.00000  123.36000
   57    59    60    70.00000  123.01800
   57    59    70    70.00000  124.00000
   59    57    58    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    62    70.00000  123.01800
   59    70    68    70.00000  112.02700
   59    70    71    35.00000  109.50000
   59    70    72    35.00000  109.50000
   60    62    63    70.00000  124.03900
   60    62    65    55.00000  124.75400
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  114.50000
   62    63    68    50.00000  121.00000
   62    65    66    85.00000  113.83300
   62    65    67    85.00000  113.83300
   63    68    69    35.00000  109.50000
   63    68    70    80.00000  111.61500
   63    68    73    63.00000  110.10000
   68    63    64    35.00000  112.50000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    73    74    70.00000  117.00000
   68    73    75    70.00000  117.00000
   70    59    60    70.00000  124.00000
   70    68    69    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    63.00000  111.10000
   75    73    74    80.00000  126.00000
   65    62    63    80.00000  114.48000
   67    65    66    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   0.81900  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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    48    46   0.42700  1.0 1.0
   29    33    48    46  -0.70350 -1.0 2.0
   29    33    48    46  -0.43150  1.0 3.0
   29    33    48    49   0.09700  1.0 1.0
   29    33    48    49   0.15600 -1.0 2.0
   29    33    48    49  -0.50800  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    48   -49    50   5.00000 -1.0 2.0
   33    48    49    52   5.00000 -1.0 2.0
   37    33    48    46  -0.28300  1.0 1.0
   37    33    48    46   0.26700 -1.0 2.0
   37    33    48    46  -0.63300  1.0 3.0
   37    33    48    49   0.09700  1.0 1.0
   37    33    48    49   0.15600 -1.0 2.0
   37    33    48    49  -0.50800  1.0 3.0
   37    33    39    50   0.34400  1.0 1.0
   37    33    39    50   0.09450 -1.0 2.0
   37    33    39    50   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   1.00000 -1.0 2.0
   37    42   -44    46  -1.18350  1.0 1.0
   37    42   -44    46   1.45950 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    46    47   0.93700 -1.0 2.0
   42    44    46    48  -1.18350  1.0 1.0
   42    44    46    48   1.45950 -1.0 2.0
   43    42    44    45  -0.11900  1.0 1.0
   43    42    44    45   0.76850 -1.0 2.0
   43    42    44    45   0.14100  1.0 3.0
   43    42    44    46   1.50000 -1.0 2.0
   44    46   -48    33   7.00000 -1.0 2.0
   44    46    48    49   7.00000 -1.0 2.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   1.00000 -1.0 2.0
   46    48    49    50   5.00000 -1.0 2.0
   46    48    49    52   5.00000 -1.0 2.0
   47    46    48    33   7.00000 -1.0 2.0
   47    46    48    49   7.00000 -1.0 2.0
   48    33    37    38   0.00000  1.0 1.0
   48    33   -37    42  -0.28300  1.0 1.0
   48    33   -37    42   0.26700 -1.0 2.0
   48    33   -37    42  -0.63300  1.0 3.0
   48    33   -39    50   0.34400  1.0 1.0
   48    33   -39    50   0.09450 -1.0 2.0
   48    33   -39    50   0.11100  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    49    50    51   0.00000  1.0 1.0
   48    49   -50    39   0.00000  1.0 1.0
   48    49    50    54   0.00000  1.0 1.0
   48    49    52    53   2.00000 -1.0 2.0
   48    49    52    57   2.00000 -1.0 2.0
   49    50   -39    33   0.56750  1.0 1.0
   49    50   -39    33  -0.07550 -1.0 2.0
   49    50   -39    33   0.20000  1.0 3.0
   49    50    39    40   0.15000  1.0 3.0
   49    50    39    41   0.15000  1.0 3.0
   49    50    54    55   0.30150 -1.0 2.0
   49    50    54    56   0.30150 -1.0 2.0
   49    52    57    58   0.97550 -1.0 2.0
   49    52    57    59   1.09700  1.0 1.0
   49    52    57    59   0.56350 -1.0 2.0
   49    52    57    59   0.49350  1.0 3.0
   50    49    52    53   2.00000 -1.0 2.0
   50    49    52    57   2.00000 -1.0 2.0
   51    50    39    33   0.15000  1.0 3.0
   51    50    39    40   0.15000  1.0 3.0
   51    50    39    41   0.15000  1.0 3.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    56   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    48    46   0.09850  1.0 1.0
   39    33    48    46   0.15250 -1.0 2.0
   39    33    48    46  -0.50650  1.0 3.0
   39    33   -48    49   0.09700  1.0 1.0
   39    33   -48    49   0.15600 -1.0 2.0
   39    33   -48    49  -0.50800  1.0 3.0
   39    50    54    55   0.00000  1.0 1.0
   39    50    54    56   0.00000  1.0 1.0
   54    50    39    33  -0.84850  1.0 1.0
   54    50    39    33  -0.22800 -1.0 2.0
   54    50    39    33   0.29250  1.0 3.0
   54    50    39    40  -0.03800  1.0 3.0
   54    50    39    41  -0.03800  1.0 3.0
   52    49    50    51  -0.22200  1.0 3.0
   52    49    50    39   0.00000  1.0 1.0
   52    49    50    54   0.00000  1.0 1.0
   52    57    59    60   7.00000 -1.0 2.0
   52    57    59    70   7.00000 -1.0 2.0
   53    52    57    58   0.00000  1.0 1.0
   53    52    57    59   1.36050 -1.0 2.0
   57    59    60    61  -0.18600  1.0 3.0
   57    59    60    62   0.28850  1.0 1.0
   57    59    60    62   2.61350 -1.0 2.0
   57    59    60    62   0.78400  1.0 3.0
   57    59    70    68   0.09850  1.0 1.0
   57    59    70    68   0.15250 -1.0 2.0
   57    59    70    68  -0.50650  1.0 3.0
   57    59    70    71   0.00000  1.0 1.0
   57    59    70    72   0.00000  1.0 1.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    70   7.00000 -1.0 2.0
   59    60    62    63   7.00000 -1.0 2.0
   59    60    62    65   7.00000 -1.0 2.0
   60    59    70    68   0.98200  1.0 1.0
   60    59    70    68  -0.11900 -1.0 2.0
   60    59    70    68   0.24250  1.0 3.0
   60    59    70    71   0.00000  1.0 1.0
   60    59    70    72   0.00000  1.0 1.0
   60    62    63    64   1.00000 -1.0 2.0
   60    62   -63    68  -0.54700  1.0 1.0
   60    62   -63    68   1.23000 -1.0 2.0
   60    62    65    66  -0.04000 -1.0 2.0
   60    62    65    66  -0.29050  1.0 3.0
   60    62    65    67  -0.04000 -1.0 2.0
   60    62    65    67  -0.29050  1.0 3.0
   61    60    62    63   7.00000 -1.0 2.0
   61    60    62    65   7.00000 -1.0 2.0
   62    63    68    69   0.00000  1.0 1.0
   62    63    68    70   0.25450  1.0 1.0
   62    63    68    70  -0.61700 -1.0 2.0
   62    63    68    70  -0.23550  1.0 3.0
   62    63    68    73  -0.12500  1.0 1.0
   62    63    68    73  -0.12500 -1.0 2.0
   62    63    68    73   0.25000  1.0 3.0
   63    62    65    66   1.91650 -1.0 2.0
   63    62    65    67   1.91650 -1.0 2.0
   63    68   -70    59   0.21700  1.0 1.0
   63    68   -70    59   0.68550 -1.0 2.0
   63    68   -70    59  -0.27950  1.0 3.0
   63    68    70    71   0.22950  1.0 3.0
   63    68    70    72   0.22950  1.0 3.0
   63    68    73    74   0.00000  1.0 1.0
   63    68    73    75   0.00000  1.0 1.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   64    63    68    73   0.00000  1.0 1.0
   69    68    70    59   0.15000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    73    74   0.00000  1.0 1.0
   69    68    73    75   0.00000  1.0 1.0
   70    59    60    61   0.00000  1.0 1.0
   70    59   -60    62  -0.18600  1.0 3.0
   70    68    73    74   0.00000  1.0 1.0
   70    68    73    75   0.00000  1.0 1.0
   73    68    70    59  -0.98800  1.0 1.0
   73    68    70    59   0.48800 -1.0 2.0
   73    68    70    59   0.76800  1.0 3.0
   73    68    70    71  -0.03800  1.0 3.0
   73    68    70    72  -0.03800  1.0 3.0
   65    62    63    64   1.82350 -1.0 2.0
   65    62    63    68   1.00000 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    46    44    45  10.50000 -1.0 2.0
   44    47    46    48   1.10000 -1.0 2.0
   33    49    48    46   1.10000 -1.0 2.0
   48    50    49    52   1.00000 -1.0 2.0
   55    50    54    56  10.50000 -1.0 2.0
   57    53    52    49  10.50000 -1.0 2.0
   52    58    57    59   1.10000 -1.0 2.0
   60    70    59    57   1.10000 -1.0 2.0
   59    61    60    62   1.10000 -1.0 2.0
   63    65    62    60   1.10000 -1.0 2.0
   68    62    63    64   1.00000 -1.0 2.0
   74    68    73    75  10.50000 -1.0 2.0
   66    62    65    67  10.50000 -1.0 2.0
END
