* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    132    207     382
    1     0 S   NP   _N1_     1    29.08828    96.63238   -19.62986
    2     1 S   H    _HN1     2     1.02803    71.40687   -91.97721
    3     1 S   H    _H1_     3     1.02942    86.44838    18.50370
    4     1 S   H    _H2_     4     1.02857    50.66508   134.30772
    5     1 S   CT   _CA1     5     1.50054   159.12228   164.81775
    6     5 S   HC   _HA1     6     1.09595   105.30233    35.14247
    7     5 S   CO3  _C1_     7     1.53828   111.87622   -84.81736
    8     7 S   O2Z  _O11     8     1.26383   115.37892   -62.55962
    9     7 S   O2Z  _O12     9     1.26224   114.78122   116.52293
   10     5 S   CT   _CB1    10     1.53032   107.42188   152.60191
   11    10 S   HC   HB11    11     1.09827   109.58192   -52.09716
   12    10 S   HC   HB12    12     1.09824   110.37103    64.38380
   13    10 S   CT   _CG1    13     1.53048   112.49696  -173.16155
   14    13 S   HC   HG11    14     1.09605   110.44123   -56.09872
   15    13 S   HC   HG12    15     1.09605   110.22939    63.18423
   16    13 S   C    _CD1    16     1.51700   111.78043  -176.40800
   17    16 S   O    _OE1    17     1.22756   123.08217   -11.34439
   18    16 S   N    _N2_    18     1.38587   111.85890   168.61907
   19    18 S   H    _HN2    19     1.01583   119.29380     3.05198
   20    18 S   CT1  _CA2    20     1.46204   123.01687  -174.78136
   21    20 S   HC   _HA2    21     1.09729   109.33086   -10.22364
   22    20 S   C    _C2_    22     1.53346   108.83506  -126.19022
   23    22 S   O    _O2_    23     1.23017   122.17253  -147.39980
   24    20 S   CT   _CB2    32     1.53570   111.24979   111.29684
   25    24 S   HC   HB21    33     1.09396   109.47142    61.81080
   26    24 S   HC   HB22    34     1.09507   109.89103   179.87028
   27    22 S   N    _N3_    24     1.38493   113.44716    40.05476
   28    27 S   H    _HN3    25     1.01519   118.89683    -0.59709
   29    24 S   S    _SG2    35     1.83294   111.37740   -60.75849
   30    27 S   CT   _CA3    26     1.45449   123.44903   175.17387
   31    30 S   HC   HA31    27     1.09523   109.24016    24.27594
   32    30 S   HC   HA32    28     1.09496   107.11577   141.27077
   33    29 S   CT   _C9_    36     1.87389   101.94514   152.71676
   34    30 S   CO3  _C3_    29     1.52922   113.13679   -99.21413
   35    34 S   O2Z  _O31    30     1.26401   115.40914   -44.35019
   36    34 S   O2Z  _O32    31     1.26357   114.98271   136.61506
   37    33 S   CT   _C8_    37     1.56522   107.60508   171.56786
   38    37 S   HC   _H10    38     1.09801   110.27028   152.30592
   39    37 S   HC   _H11    39     1.09586   113.90641    32.30636
   40    33 S   S    _S1_    60     1.84763   109.40678   -67.00343
   41    37 S   C4T  _C7_    40     1.53676   106.85398   -91.04959
   42    41 S   HC   _H5_    41     1.09703   112.14006  -130.63229
   43    40 S   CM   _C13    61     1.73211   103.52640   -68.19445
   44    43 S   HC   _H12    62     1.08485   119.03715    27.55843
   45    41 S   C4T  _C6_    42     1.55862   124.30992    85.14389
   46    45 S   HC   _H4_    43     1.09813   113.23769     9.45047
   47    41 S   N4   _N4_    46     1.47305   103.27266   -10.55488
   48    43 S   CM   _C14    63     1.33904   120.71955  -152.54541
   49    48 S   HC   _H13    64     1.08627   121.60201     0.85547
   50    45 S   C4   _C11    44     1.54697    85.36038  -102.28191
   51    50 S   O    _O33    45     1.21040   135.96635   171.93854
   52    33 S   CT1  _C10    47     1.56006   111.16412    59.02344
   53    52 S   HC   _H6_    48     1.09507   112.10148   -31.52113
   54    45 S   CT   _C5_    52     1.52287   116.90858   141.64791
   55    54 S   HC   _H3_    53     1.09591   111.04651    49.37453
   56    48 S   N    _N5_    65     1.37290   122.63968  -179.63203
   57    56 S   H    _H14    66     1.01905   117.76720     3.01331
   58    52 S   CO3  _C12    49     1.54530   116.56065  -156.92655
   59    58 S   O2Z  _O35    50     1.26342   116.26557   -60.06174
   60    58 S   O2Z  _O34    51     1.26508   114.43512   120.25200
   61    54 S   CT   _C4_    54     1.52201   110.47721   -73.09997
   62    61 S   HC   _H7_    55     1.09586   110.94872   -59.64370
   63    61 S   HC   _H8_    56     1.09520   110.54631  -177.93029
   64    61 S   HC   _H9_    57     1.09408   111.58420    61.13266
   65    54 S   OH   _O37    58     1.42493   108.28314   167.85525
   66    65 S   HO   _H18    59     0.97244   107.56950  -178.56919
   67    56 S   C    _C15    67     1.38673   123.32144  -178.19311
   68    67 S   O    _O36    68     1.22943   125.82786    -1.30011
   69    67 S   CT   _C16    69     1.50633   112.88856   179.52853
   70    69 S   HC   _H15    70     1.09344   111.38721   -29.05637
   71    69 S   HC   _H16    71     1.09374   109.24702  -148.53629
   72    69 S   HC   _H17    72     1.09275   109.23965    91.92806
  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
  17   2   1   1  14   7   6  10  13   6   7   3  13   7   8   6
   3   8   2   4   3   7   6   7   3   2   1   1   5   3   2   1
   1   1   5   4   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    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    47    52    53    58    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    45    50    47    52    53    58    59    60    40    43    44    48  
   35    36  
   36  
    0  
   38    39    41    42    45    46    50    47    52    53    58    54    40    43  
   39    41    42    45    47    52    40  
   41    42    45    47    52    40  
   43    44    48    49    56    41    47    52    53    58  
   42    45    46    50    51    47    52    53    58    54    55    61    65  
   45    46    50    47    52    54  
   44    48    49    56    57    67    52  
   48    49    56  
   46    50    51    47    52    54    55    61    62    63    64    65    66  
   50    51    47    54    55    61    65  
   52    53    58    59    60    54    50    51  
   49    56    57    67    68    69  
   56    57    67  
   51    52    53    58    54    55    61    65  
   52    54  
   53    58    59    60  
   58    59    60  
   55    61    62    63    64    65    66  
   61    62    63    64    65    66  
   57    67    68    69    70    71    72  
   67    68    69  
   59    60  
   60  
    0  
   62    63    64    65    66  
   63    64    65  
   64    65  
   65  
   66  
    0  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72  
   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  -0.335000   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   0.335000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   48   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   268.000  1.529
   33    52   268.000  1.529
   33    40   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   260.000  1.519
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   305.000  1.456
   45    46   340.000  1.090
   45    50   250.000  1.540
   45    54   260.000  1.519
   50    51   930.000  1.212
   50    47   440.000  1.369
   47    52   337.000  1.449
   52    53   340.000  1.090
   52    58   317.000  1.522
   58    59   656.000  1.250
   58    60   656.000  1.250
   54    55   340.000  1.090
   54    61   268.000  1.529
   54    65   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   553.000  0.945
   40    43   240.000  1.763
   43    44   340.000  1.080
   43    48   549.000  1.340
   48    49   340.000  1.080
   48    56   400.000  1.384
   56    57   434.000  1.010
   56    67   490.000  1.335
   67    68   570.000  1.229
   67    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    52    75.00000  108.68000
   29    33    40    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    70.00000  112.98000
   33    52    47    80.00000  109.70000
   33    52    53    37.50000  110.70000
   33    52    58    63.00000  111.10000
   33    40    43    85.00000  102.41200
   37    41    42    45.00000  112.72800
   37    41    45    65.00000  119.52000
   37    41    47    80.00000  110.05700
   39    37    38    33.00000  107.80000
   41    37    38    45.00000  111.22300
   41    37    39    45.00000  111.22300
   41    45    46    37.50000  110.70000
   41    45    50   100.00000   86.36000
   41    45    54    65.00000  119.52000
   41    47    50   100.00000   93.00000
   41    47    52    50.00000  132.70000
   45    41    42    37.50000  110.70000
   45    50    51    60.00000  136.58000
   45    50    47    95.00000   92.72400
   45    54    55    45.00000  111.22300
   45    54    61    70.00000  112.98000
   45    54    65    50.00000  109.50000
   50    45    46    40.00000  113.37500
   50    47    52    50.00000  132.10000
   47    41    42    50.00000  112.01000
   47    41    45   105.00000   87.49700
   47    50    51    75.00000  131.60000
   47    52    53    35.00000  109.50000
   47    52    58    63.00000  110.10000
   52    33    37    58.35000  112.70000
   52    58    59    70.00000  117.00000
   52    58    60    70.00000  117.00000
   58    52    53    35.00000  109.50000
   60    58    59    80.00000  126.00000
   54    45    46    45.00000  112.72800
   54    45    50    63.00000  111.10000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    37.50000  110.70000
   54    65    66    55.00000  108.50000
   61    54    55    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    54    55    35.00000  109.50000
   65    54    61    50.00000  109.50000
   40    33    37    75.00000  111.63000
   40    33    52    75.00000  108.68000
   40    43    44    40.00000  115.49800
   40    43    48    65.00000  122.11800
   43    48    49    35.00000  120.00000
   43    48    56    75.00000  120.83300
   48    43    44    35.00000  120.00000
   48    56    57    45.00000  117.55000
   48    56    67    70.00000  120.89900
   56    48    49    45.00000  111.09300
   56    67    68    80.00000  122.90000
   56    67    69    70.00000  116.60000
   67    56    57    35.00000  119.80000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    35.00000  109.50000
   69    67    68    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    52    47   0.71400  1.0 1.0
   29    33    52    47   0.04300 -1.0 2.0
   29    33    52    47   0.01450  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    58  -2.17200  1.0 1.0
   29    33    52    58  -0.85700 -1.0 2.0
   29    33    40    43   0.08500  1.0 1.0
   29    33    40    43  -0.53150 -1.0 2.0
   29    33    40    43   0.48050  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    45   0.04050  1.0 1.0
   33    37    41    45   0.63700 -1.0 2.0
   33    37    41    45   0.17650  1.0 3.0
   33    37   -41    47   0.43900  1.0 1.0
   33    37   -41    47   0.49100 -1.0 2.0
   33    37   -41    47   0.28400  1.0 3.0
   33    52    58    59   0.00000  1.0 1.0
   33    52    58    60   0.00000  1.0 1.0
   33    40    43    44   1.00000 -1.0 2.0
   33    40    43    48   1.00000 -1.0 2.0
   37    33   -52    47   0.42250  1.0 1.0
   37    33   -52    47  -0.48100 -1.0 2.0
   37    33   -52    47   0.35650  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    58  -0.84850  1.0 1.0
   37    33    52    58  -0.22800 -1.0 2.0
   37    33    52    58   0.29250  1.0 3.0
   37    33    40    43   0.00000  1.0 1.0
   37    41    45    46   0.15000  1.0 3.0
   37    41    45    50  -0.95700  1.0 1.0
   37    41    45    50  -0.18200 -1.0 2.0
   37    41    45    50   0.29450  1.0 3.0
   37    41    45    54   0.56750  1.0 1.0
   37    41    45    54  -0.07550 -1.0 2.0
   37    41    45    54   0.20000  1.0 3.0
   37    41   -47    50   0.00000  1.0 1.0
   37    41   -47    52   0.00000  1.0 1.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    45   0.00000  1.0 1.0
   38    37    41    47   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    45   0.00000  1.0 1.0
   39    37    41    47   0.15000  1.0 3.0
   41    45    50    51  -0.11250  1.0 1.0
   41    45    50    51   0.11400 -1.0 2.0
   41    45    50    51  -0.28950  1.0 3.0
   41    45   -50    47   3.00000 -1.0 2.0
   41    45    54    55   0.00000  1.0 1.0
   41    45    54    61   0.04050  1.0 1.0
   41    45    54    61   0.63700 -1.0 2.0
   41    45    54    61   0.17650  1.0 3.0
   41    45    54    65   0.86500  1.0 1.0
   41    45    54    65  -0.17500 -1.0 2.0
   41    45    54    65   0.20800  1.0 3.0
   41    47   -52    33   0.00000  1.0 1.0
   41    47    52    53   0.00000  1.0 1.0
   41    47    52    58   0.00000  1.0 1.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    50   0.15000  1.0 3.0
   42    41    45    54   0.15000  1.0 3.0
   42    41   -47    50   0.00000  1.0 1.0
   42    41    47    52   0.00000  1.0 1.0
   45    41   -47    50   0.00000  1.0 1.0
   45    41    47    52   0.00000  1.0 1.0
   45    50   -47    41   3.00000 -1.0 2.0
   45    50   -47    52   3.00000 -1.0 2.0
   45    54    61    62   0.15000  1.0 3.0
   45    54    61    63   0.15000  1.0 3.0
   45    54    61    64   0.15000  1.0 3.0
   45    54    65    66  -0.11600  1.0 1.0
   45    54    65    66  -0.09450 -1.0 2.0
   45    54    65    66   0.21250  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    47   0.00000  1.0 1.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    61   0.15000  1.0 3.0
   46    45    54    65   0.23400  1.0 3.0
   50    45    54    55  -0.11250  1.0 3.0
   50    45    54    61  -0.95700  1.0 1.0
   50    45    54    61  -0.18200 -1.0 2.0
   50    45    54    61   0.29450  1.0 3.0
   50    45    54    65  -0.09450  1.0 1.0
   50    45    54    65  -1.12950 -1.0 2.0
   50    45    54    65   0.54000  1.0 3.0
   50    47    52    33   0.00000  1.0 1.0
   50    47    52    53   0.00000  1.0 1.0
   50    47    52    58   0.00000  1.0 1.0
   51    50   -47    41   3.00000 -1.0 2.0
   51    50    47    52   3.00000 -1.0 2.0
   47    41   -45    46   0.15000  1.0 3.0
   47    41   -45    50   3.00000 -1.0 2.0
   47    41    45    54   0.43900  1.0 1.0
   47    41    45    54   0.49100 -1.0 2.0
   47    41    45    54   0.28400  1.0 3.0
   47    52    58    59   0.00000  1.0 1.0
   47    52    58    60   0.00000  1.0 1.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    41   0.31550 -1.0 2.0
   52    33   -37    41   0.11250  1.0 3.0
   52    33    40    43   0.00000  1.0 1.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   54    45    50    51   0.30150 -1.0 2.0
   54    45   -50    47   1.39750  1.0 1.0
   54    45   -50    47  -0.07950 -1.0 2.0
   54    45   -50    47  -0.18750  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   55    54    65    66   0.19450  1.0 3.0
   61    54    65    66  -0.11600  1.0 1.0
   61    54    65    66  -0.09450 -1.0 2.0
   61    54    65    66   0.21250  1.0 3.0
   65    54    61    62   0.23400  1.0 3.0
   65    54    61    63   0.23400  1.0 3.0
   65    54    61    64   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    41   0.44750  1.0 1.0
   40    33    37    41  -0.17800 -1.0 2.0
   40    33    37    41   0.20200  1.0 3.0
   40    33    52    47   0.71400  1.0 1.0
   40    33    52    47   0.04300 -1.0 2.0
   40    33    52    47   0.01450  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    58  -2.17200  1.0 1.0
   40    33    52    58  -0.85700 -1.0 2.0
   40    43    48    49   7.00000 -1.0 2.0
   40    43    48    56   7.00000 -1.0 2.0
   43    48    56    57   0.78350 -1.0 2.0
   43    48    56    67  -0.18900  1.0 1.0
   43    48    56    67   1.70900 -1.0 2.0
   44    43    48    49   7.00000 -1.0 2.0
   44    43    48    56   7.00000 -1.0 2.0
   48    56    67    68   2.67200 -1.0 2.0
   48    56    67    69   0.67100  1.0 1.0
   48    56    67    69   1.42150 -1.0 2.0
   48    56    67    69   0.18700  1.0 3.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    67   1.44600  1.0 1.0
   56    67    69    70   0.00000  1.0 1.0
   56    67    69    71   0.00000  1.0 1.0
   56    67    69    72   0.00000  1.0 1.0
   57    56    67    68   2.45000 -1.0 2.0
   57    56    67    69   2.45000 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    69    72   0.00000  1.0 1.0
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
   45    47    50    51  10.50000 -1.0 2.0
   52    50    47    41   1.00000 -1.0 2.0
   59    52    58    60  10.50000 -1.0 2.0
   40    44    43    48  15.00000 -1.0 2.0
   56    49    48    43  15.00000 -1.0 2.0
   57    67    56    48   1.00000 -1.0 2.0
   56    69    67    68  10.50000 -1.0 2.0
END
