* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    223     419
    1     0 S   NP   _N1_     1    28.74772    94.61916   -20.74290
    2     1 S   H    _HN1     2     1.02961    93.94982    35.26672
    3     1 S   H    _H1_     3     1.02838    31.16979   152.27391
    4     1 S   H    _H2_     4     1.02779    86.15468   -72.84885
    5     1 S   CT   _CA1     5     1.50103   141.39464   165.59183
    6     5 S   HC   _HA1     6     1.09570   105.28705    51.88925
    7     5 S   CO3  _C1_     7     1.53834   112.28831   -68.43773
    8     7 S   O2Z  _O11     8     1.26359   115.02618   -45.95177
    9     7 S   O2Z  _O12     9     1.26236   114.91466   133.26875
   10     5 S   CT   _CB1    10     1.53086   107.43562   169.85051
   11    10 S   HC   HB11    11     1.09819   109.49608   -50.32530
   12    10 S   HC   HB12    12     1.09834   110.34099    66.25333
   13    10 S   CT   _CG1    13     1.53015   112.63280  -171.44875
   14    13 S   HC   HG11    14     1.09597   110.30028   -59.69337
   15    13 S   HC   HG12    15     1.09618   110.20283    59.55047
   16    13 S   C    _CD1    16     1.51781   112.10600   179.91153
   17    16 S   O    _OE1    17     1.22731   123.18839   -10.86450
   18    16 S   N    _N2_    18     1.38612   111.69295   169.28173
   19    18 S   H    _HN2    19     1.01587   119.04724     2.36422
   20    18 S   CT1  _CA2    20     1.46281   123.35149  -175.65202
   21    20 S   HC   _HA2    21     1.09728   109.35702   -15.69728
   22    20 S   C    _C2_    22     1.53336   108.41976  -131.62231
   23    22 S   O    _O2_    23     1.23006   122.26293  -145.64598
   24    20 S   CT   _CB2    32     1.53522   111.11780   106.25059
   25    24 S   HC   HB21    33     1.09590   109.52356    55.93463
   26    24 S   HC   HB22    34     1.09497   110.75981   174.76411
   27    22 S   N    _N3_    24     1.38513   113.31207    41.71404
   28    27 S   H    _HN3    25     1.01535   118.90860    -0.55567
   29    24 S   S    _SG2    35     1.82814   111.54374   -65.37375
   30    27 S   CT   _CA3    26     1.45448   123.41586   175.08953
   31    30 S   HC   HA31    27     1.09526   109.19884    25.05906
   32    30 S   HC   HA32    28     1.09494   107.13011   142.05962
   33    29 S   CT   _C15    36     1.82963    99.76799   153.85713
   34    33 S   HC   _H7_    37     1.09648   109.07032   -46.42869
   35    30 S   CO3  _C3_    29     1.52930   113.14959   -98.38968
   36    35 S   O2Z  _O31    30     1.26400   115.42216   -44.01340
   37    35 S   O2Z  _O32    31     1.26357   114.97147   136.92864
   38    33 S   CT   _C16    38     1.52775   107.70284    73.69622
   39    38 S   HC   _H15    39     1.09535   113.55079    38.16720
   40    38 S   HC   _H16    40     1.09351   111.77346   -87.72651
   41    38 S   CO4  _C17    41     1.49746   102.82660   153.94470
   42    41 S   O    _O36    42     1.22658   122.63444   167.33986
   43    41 S   CT   _C13    43     1.52620   112.93784   -12.60893
   44    43 S   CT   _C12    44     1.54550   108.84316  -129.53969
   45    44 S   HC   _H5_    45     1.09607   108.65038   -58.73625
   46    33 S   CT   _C14    58     1.55518   114.94790  -169.30898
   47    46 S   HC   _H6_    59     1.09930   107.08525   -41.38039
   48    43 S   CT   _C18    70     1.53885   105.05177   110.07181
   49    48 S   HC   _H17    71     1.09050   113.22701   176.40621
   50    48 S   HC   _H18    72     1.09709   110.76002    56.84473
   51    48 S   HC   _H19    73     1.09583   111.51446   -61.78289
   52    44 S   CM   _C8_    46     1.49707   114.58466   176.72260
   53    44 S   OH   _O37    68     1.43371   109.45745    56.48589
   54    53 S   HO   _H20    69     0.97400   106.97534  -173.79035
   55    52 S   CM   _C9_    47     1.33904   126.45476   132.35007
   56    55 S   CO4  _C10    48     1.47337   106.35611   176.22742
   57    56 S   O    _O33    49     1.21903   126.13358   177.50127
   58    55 S   CT   _C11    64     1.50434   130.79181    -4.57881
   59    58 S   OM   _O35    65     1.32295   106.53748    90.97062
   60    58 S   HC   _H13    66     1.10155   106.23289   -36.44539
   61    58 S   HC   _H14    67     1.10203   105.72962  -141.85383
   62    56 S   OS   _O34    50     1.36261   108.80969    -3.18678
   63    52 S   CT   _C7_    51     1.48702   122.06641   -51.20865
   64    63 S   HC   _H4_    52     1.09467   112.43624   -57.56823
   65    63 S   CT   _C6_    53     1.52945   114.11027    71.38036
   66    65 S   HC   _H11    54     1.09791   108.94573    44.94412
   67    65 S   HC   _H12    55     1.09900   108.23850   155.50871
   68    65 S   CT   _C5_    56     1.54997   117.42810   -79.36656
   69    68 S   HC   _H3_    57     1.09872   106.42920   147.02207
   70    68 S   CT   _C4_    60     1.53812   107.83190  -100.14355
   71    70 S   HC   _H8_    61     1.09464   111.41335    76.40787
   72    70 S   HC   _H9_    62     1.09593   111.39671   -44.00979
   73    70 S   HC   _H10    63     1.09206   111.43071  -161.17193
  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  10   5   4   3
  15   8   2   1   1  10   5   4  13   4  17  18   7  17   5   6
   2   1   1  16   3   1  10   9   3   5   2   1   1   6   7   4
   8   4   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    68    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    65    68    69    46    47    70    48  
   38    39    40    41    43    68    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    68    46    47    48  
   40    41    42    43    46  
   41    42    43    46  
   42    43    44    45    52    68    46    47    53    48    49    50    51  
   43    44    46    48  
   44    45    52    55    63    65    68    69    46    47    70    53    54    48    49    50    51  
   45    52    55    56    62    63    64    65    68    46    47    58    53    54    48    49    50    51  
   52    55    63    46    53    54    48  
   47    70    71    72    73    53    48    49    50    51    52    63    65    66    67    68    69  
   70    48    65    68    69  
   49    50    51    52    53    68  
   50    51  
   51  
    0  
   55    56    57    62    63    64    65    66    67    68    58    59    60    61    53    54  
   54    55    63  
    0  
   56    57    62    63    64    65    58    59    60    61  
   57    62    63    64    65    58    59    60    61  
   62    63    58  
   59    60    61    62    63  
   60    61  
   61  
    0  
   63    64    65    66    67    68  
   64    65    66    67    68    69    70  
   65    66    67    68  
   66    67    68    69    70    71    72    73  
   67    68    69    70  
   68    69    70  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   60   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   340.000  1.090
   33    38   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   317.000  1.510
   44    53   320.000  1.410
   52    55   549.000  1.340
   52    63   317.000  1.510
   55    56   320.000  1.462
   55    58   317.000  1.510
   56    57   570.000  1.229
   56    62   214.000  1.327
   62    63   320.000  1.410
   63    64   340.000  1.090
   63    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    46   268.000  1.529
   68    70   268.000  1.529
   46    47   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   58    59   570.000  1.307
   58    60   340.000  1.090
   58    61   340.000  1.090
   53    54   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    46    43    58.35000  112.70000
   33    46    68    58.35000  112.70000
   33    46    47    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    70.00000  112.02700
   43    44    53    50.00000  109.50000
   43    46    68    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    52    55    70.00000  124.00000
   44    52    63    65.00000  117.92700
   44    53    54    55.00000  108.50000
   52    44    45    35.00000  109.50000
   52    55    56    65.00000  118.96000
   52    55    58    70.00000  124.00000
   52    63    62    85.00000  110.90400
   52    63    64    35.00000  109.50000
   52    63    65    70.00000  112.02700
   55    56    57    80.00000  123.72100
   55    56    62    90.00000  111.29400
   55    58    59    85.00000  110.90400
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   56    62    63    83.00000  116.90000
   62    56    57    83.00000  123.40000
   62    63    64    35.00000  109.50000
   62    63    65    50.00000  109.50000
   63    52    55    70.00000  124.00000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    68    58.35000  112.70000
   65    63    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    46    58.35000  112.70000
   65    68    70    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    46    47    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    37.50000  110.70000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    43    44    58.35000  112.70000
   46    68    69    37.50000  110.70000
   70    68    69    37.50000  110.70000
   70    68    46    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   58    55    56    65.00000  116.34900
   60    58    59    45.00000  125.66300
   61    58    59    45.00000  125.66300
   61    58    60    33.00000  107.80000
   53    44    45    35.00000  109.50000
   53    44    52    90.00000  110.39200
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    46    43   0.44750  1.0 1.0
   29    33    46    43  -0.17800 -1.0 2.0
   29    33    46    43   0.20200  1.0 3.0
   29    33    46    68   0.44750  1.0 1.0
   29    33    46    68  -0.17800 -1.0 2.0
   29    33    46    68   0.20200  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    46    43   0.15000  1.0 3.0
   34    33    46    68   0.15000  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   38    33   -46    43   0.56750  1.0 1.0
   38    33   -46    43  -0.07550 -1.0 2.0
   38    33   -46    43   0.20000  1.0 3.0
   38    33    46    68   0.56750  1.0 1.0
   38    33    46    68  -0.07550 -1.0 2.0
   38    33    46    68   0.20000  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    41    43    44   0.60050  1.0 1.0
   38    41    43    44   0.05600 -1.0 2.0
   38    41    43    44   0.26150  1.0 3.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   38    41    43    48   0.60050  1.0 1.0
   38    41    43    48   0.05600 -1.0 2.0
   38    41    43    48   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    52  -0.98800  1.0 1.0
   41    43    44    52   0.48800 -1.0 2.0
   41    43    44    52   0.76800  1.0 3.0
   41    43    44    53  -0.09450  1.0 1.0
   41    43    44    53  -1.12950 -1.0 2.0
   41    43    44    53   0.54000  1.0 3.0
   41    43   -46    33  -0.95700  1.0 1.0
   41    43   -46    33  -0.18200 -1.0 2.0
   41    43   -46    33   0.29450  1.0 3.0
   41    43    46    68  -0.95700  1.0 1.0
   41    43    46    68  -0.18200 -1.0 2.0
   41    43    46    68   0.29450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    48    49  -0.11250  1.0 3.0
   41    43    48    50  -0.11250  1.0 3.0
   41    43    48    51  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    48   0.30150 -1.0 2.0
   43    44    52    55   0.09850  1.0 1.0
   43    44    52    55   0.15250 -1.0 2.0
   43    44    52    55  -0.50650  1.0 3.0
   43    44    52    63   0.46850  1.0 1.0
   43    44    52    63   0.08550 -1.0 2.0
   43    44    52    63   0.09800  1.0 3.0
   43    44    53    54  -0.11600  1.0 1.0
   43    44    53    54  -0.09450 -1.0 2.0
   43    44    53    54   0.21250  1.0 3.0
   44    43    46    33   0.56750  1.0 1.0
   44    43    46    33  -0.07550 -1.0 2.0
   44    43    46    33   0.20000  1.0 3.0
   44    43    46    68   0.56750  1.0 1.0
   44    43    46    68  -0.07550 -1.0 2.0
   44    43    46    68   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    55    56   7.00000 -1.0 2.0
   44    52    55    58   7.00000 -1.0 2.0
   44    52    63    62   0.09700  1.0 1.0
   44    52    63    62   0.15600 -1.0 2.0
   44    52    63    62  -0.50800  1.0 3.0
   44    52    63    64   0.34800  1.0 3.0
   44    52    63    65   0.46850  1.0 1.0
   44    52    63    65   0.08550 -1.0 2.0
   44    52    63    65   0.09800  1.0 3.0
   45    44    52    55   0.00000  1.0 1.0
   45    44    52    63   0.34800  1.0 3.0
   45    44    53    54   0.19450  1.0 3.0
   52    44    53    54  -0.07800  1.0 1.0
   52    44    53    54  -0.21500 -1.0 2.0
   52    44    53    54  -0.03150  1.0 3.0
   52    55    56    57   1.00000 -1.0 2.0
   52    55   -56    62  -0.56150  1.0 1.0
   52    55   -56    62   2.19150 -1.0 2.0
   52    55    58    59   0.39000  1.0 1.0
   52    55    58    59  -0.05800 -1.0 2.0
   52    55    58    59  -0.55150  1.0 3.0
   52    55    58    60   0.00000  1.0 1.0
   52    55    58    61   0.00000  1.0 1.0
   52    63    65    66   0.15000  1.0 3.0
   52    63    65    67   0.15000  1.0 3.0
   52    63    65    68   0.34400  1.0 1.0
   52    63    65    68   0.09450 -1.0 2.0
   52    63    65    68   0.11100  1.0 3.0
   55    52   -63    62   0.39000  1.0 1.0
   55    52   -63    62  -0.05800 -1.0 2.0
   55    52   -63    62  -0.55150  1.0 3.0
   55    52    63    64   0.00000  1.0 1.0
   55    52    63    65   0.09850  1.0 1.0
   55    52    63    65   0.15250 -1.0 2.0
   55    52    63    65  -0.50650  1.0 3.0
   55    56   -62    63   2.00000 -1.0 2.0
   56    55    58    59   0.09700  1.0 1.0
   56    55    58    59   0.15600 -1.0 2.0
   56    55    58    59  -0.50800  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   56    62   -63    52  -0.82050  1.0 1.0
   56    62   -63    52   0.00600 -1.0 2.0
   56    62   -63    52   0.04400  1.0 3.0
   56    62    63    64   0.08050  1.0 3.0
   56    62    63    65  -0.25900  1.0 1.0
   56    62    63    65  -0.47000 -1.0 2.0
   56    62    63    65   0.11750  1.0 3.0
   57    56    62    63   3.00000 -1.0 2.0
   62    63    65    66   0.23400  1.0 3.0
   62    63    65    67   0.23400  1.0 3.0
   62    63    65    68   0.62750  1.0 1.0
   62    63    65    68  -0.30950 -1.0 2.0
   62    63    65    68   0.27300  1.0 3.0
   63    52   -55    56   7.00000 -1.0 2.0
   63    52    55    58   7.00000 -1.0 2.0
   63    65    68    69   0.15000  1.0 3.0
   63    65    68    46   0.56750  1.0 1.0
   63    65    68    46  -0.07550 -1.0 2.0
   63    65    68    46   0.20000  1.0 3.0
   63    65    68    70   0.56750  1.0 1.0
   63    65    68    70  -0.07550 -1.0 2.0
   63    65    68    70   0.20000  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   65    68    46    33   0.56750  1.0 1.0
   65    68    46    33  -0.07550 -1.0 2.0
   65    68    46    33   0.20000  1.0 3.0
   65    68    46    43   0.56750  1.0 1.0
   65    68    46    43  -0.07550 -1.0 2.0
   65    68    46    43   0.20000  1.0 3.0
   65    68    46    47   0.15000  1.0 3.0
   65    68    70    71   0.15000  1.0 3.0
   65    68    70    72   0.15000  1.0 3.0
   65    68    70    73   0.15000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    46   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    46   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   69    68    46    33   0.15000  1.0 3.0
   69    68    46    43   0.15000  1.0 3.0
   69    68    46    47   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    70    73   0.15000  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33    38    40   0.15000  1.0 3.0
   46    33   -38    41  -0.95700  1.0 1.0
   46    33   -38    41  -0.18200 -1.0 2.0
   46    33   -38    41   0.29450  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    52   0.34400  1.0 1.0
   46    43    44    52   0.09450 -1.0 2.0
   46    43    44    52   0.11100  1.0 3.0
   46    43    44    53   0.86500  1.0 1.0
   46    43    44    53  -0.17500 -1.0 2.0
   46    43    44    53   0.20800  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    51   0.15000  1.0 3.0
   46    68    70    71   0.15000  1.0 3.0
   46    68    70    72   0.15000  1.0 3.0
   46    68    70    73   0.15000  1.0 3.0
   70    68    46    33   0.56750  1.0 1.0
   70    68    46    33  -0.07550 -1.0 2.0
   70    68    46    33   0.20000  1.0 3.0
   70    68    46    43   0.56750  1.0 1.0
   70    68    46    43  -0.07550 -1.0 2.0
   70    68    46    43   0.20000  1.0 3.0
   70    68    46    47   0.15000  1.0 3.0
   58    55    56    57  -0.64400  1.0 1.0
   58    55    56    57   0.26850 -1.0 2.0
   58    55    56    62  -0.15000  1.0 1.0
   58    55    56    62   0.89550 -1.0 2.0
   58    55    56    62  -0.06900  1.0 3.0
   53    44    52    55   0.67800  1.0 1.0
   53    44    52    55   0.47050 -1.0 2.0
   53    44    52    55  -0.62500  1.0 3.0
   53    44    52    63   0.18000  1.0 1.0
   53    44    52    63   0.16450 -1.0 2.0
   53    44    52    63   0.04450  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.34400  1.0 1.0
   48    43    44    52   0.09450 -1.0 2.0
   48    43    44    52   0.11100  1.0 3.0
   48    43    44    53   0.86500  1.0 1.0
   48    43    44    53  -0.17500 -1.0 2.0
   48    43    44    53   0.20800  1.0 3.0
   48    43    46    33   0.56750  1.0 1.0
   48    43    46    33  -0.07550 -1.0 2.0
   48    43    46    33   0.20000  1.0 3.0
   48    43    46    68   0.56750  1.0 1.0
   48    43    46    68  -0.07550 -1.0 2.0
   48    43    46    68   0.20000  1.0 3.0
   48    43    46    47   0.15000  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
   38    43    41    42  10.50000 -1.0 2.0
   44    63    52    55   1.10000 -1.0 2.0
   56    58    55    52   1.10000 -1.0 2.0
   55    62    56    57  10.50000 -1.0 2.0
END
