* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    132    212     382
    1     0 S   NP   _N1_     1    28.87282    94.23183   -21.86935
    2     1 S   H    _HN1     2     1.02951    87.27735    16.54913
    3     1 S   H    _H1_     3     1.02833    28.85170   150.70184
    4     1 S   H    _H2_     4     1.02784    95.47885   -91.61600
    5     1 S   CT   _CA1     5     1.50079   138.85913   135.04580
    6     5 S   HC   _HA1     6     1.09567   105.27806    67.36378
    7     5 S   CO3  _C1_     7     1.53745   112.32198   -53.06006
    8     7 S   O2Z  _O11     8     1.26370   115.02167   -46.23543
    9     7 S   O2Z  _O12     9     1.26200   114.89881   133.03790
   10     5 S   CT   _CB1    10     1.53049   107.46715  -174.57592
   11    10 S   HC   HB11    11     1.09831   109.46631   -49.66305
   12    10 S   HC   HB12    12     1.09820   110.40447    66.92647
   13    10 S   CT   _CG1    13     1.53013   112.62223  -170.64598
   14    13 S   HC   HG11    14     1.09575   110.64527   -62.58776
   15    13 S   HC   HG12    15     1.09652   109.90252    56.68508
   16    13 S   C    _CD1    16     1.51767   112.05682   177.11900
   17    16 S   O    _OE1    17     1.22743   123.22926     2.97427
   18    16 S   N    _N2_    18     1.38604   111.75116  -177.26348
   19    18 S   H    _HN2    19     1.01607   119.08351     1.96374
   20    18 S   CT1  _CA2    20     1.46262   123.24479   179.53019
   21    20 S   HC   _HA2    21     1.09733   109.36949    -1.66507
   22    20 S   C    _C2_    22     1.53443   108.84346  -117.27760
   23    22 S   O    _O2_    23     1.23053   122.25009  -149.85194
   24    20 S   CT   _CB2    32     1.53365   111.30729   120.20058
   25    24 S   HC   HB21    33     1.09243   109.38240    59.55461
   26    24 S   HC   HB22    34     1.09538   110.31601   177.33156
   27    22 S   N    _N3_    24     1.38319   113.66412    37.68784
   28    27 S   H    _HN3    25     1.01608   119.51392    -3.63270
   29    24 S   S    _SG2    35     1.83218   110.89725   -63.99755
   30    27 S   CT   _CA3    26     1.45281   123.19034   177.02382
   31    30 S   HC   HA31    27     1.09550   107.52977   -64.09348
   32    30 S   HC   HA32    28     1.09558   107.95916    52.33495
   33    29 S   CT   _C6_    36     1.89194   102.92153   145.81875
   34    30 S   CO3  _C3_    29     1.52946   114.09125   174.32325
   35    34 S   O2Z  _O31    30     1.26374   116.05573    -0.40251
   36    34 S   O2Z  _O32    31     1.26428   114.41447   179.65282
   37    33 S   CT   _C7_    37     1.56620   105.44062   176.43476
   38    37 S   HC   _H9_    38     1.09606   109.33969  -168.14489
   39    37 S   HC   _H10    39     1.09765   110.54065   -52.60824
   40    33 S   CM   _C5_    70     1.53162   104.91749    57.44665
   41    40 S   HC   _H8_    71     1.09009   115.95983   -73.53820
   42    37 S   S    _S1_    40     1.84134   120.29451    71.17705
   43    40 S   CM   _C4_    72     1.33984   128.09750   108.16150
   44    43 S   HC   _H6_    73     1.08542   119.96336   179.03571
   45    43 S   HC   _H7_    74     1.08297   122.92988    -0.97197
   46    42 S   C4T  _C8_    41     1.81006    99.57210     7.38368
   47    46 S   HC   _H3_    42     1.09494   114.42743   -88.39027
   48    46 S   C4T  _C9_    43     1.55529   117.32596   136.71850
   49    48 S   HC   _H4_    44     1.09449   113.74999   126.59652
   50    46 S   N4   _N4_    47     1.44833   109.60931    39.89068
   51    48 S   C4   _C10    45     1.56008    84.37548  -120.17471
   52    51 S   O    _O33    46     1.20841   137.15232  -172.06284
   53    33 S   CT1  _C11    48     1.56411   111.63709   -63.13554
   54    53 S   HC   _H5_    49     1.09503   111.82670    43.31208
   55    48 S   N    _N5_    53     1.47743   116.84890    -5.65218
   56    55 S   H    _H11    54     1.01745   118.78791    12.58258
   57    53 S   CO3  _C12    50     1.55355   111.02498   161.50073
   58    57 S   O2Z  _O35    51     1.26308   116.28343    69.12681
   59    57 S   O2Z  _O34    52     1.26550   114.48698  -110.74982
   60    55 S   C    _C13    55     1.37870   122.97973  -162.13147
   61    60 S   O    _O36    56     1.22054   128.38312    -4.79918
   62    60 S   CD   _C14    57     1.50923   112.71316   173.10539
   63    62 S   C5B  _C15    58     1.45374   119.31235   -70.73294
   64    62 S   NI   _N6_    67     1.29809   122.10088   108.84513
   65    63 S   C5A  _C16    59     1.38139   126.09785  -174.77232
   66    65 S   HA   _H13    60     1.08100   128.89218     0.87155
   67    64 S   OH   _O37    68     1.39761   111.46405    -0.82091
   68    67 S   HO   _H12    69     0.97262   101.84197   179.01245
   69    65 S   SA   _S2_    61     1.71351   110.07853  -179.04427
   70    69 S   CRA  _C17    62     1.72241    89.94872     0.54608
   71    63 S   N5B  _N7_    63     1.38614   119.58238     6.18111
   72    70 S   NE   _N8_    64     1.34572   120.89728   178.58653
   73    72 S   H    _H14    65     1.01917   120.73481  -177.18701
   74    72 S   H    _H15    66     1.01306   122.59343     0.21214
  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  12   5   4   3
  17   2   1   1  13   5   4   9   4   8   3   1   1  12   6  10
   6   8   7   2   4   3   6   3   2   1   1   7   3   9   8   4
   5   3   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    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    50    53    54    57    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    46    51    50    53    54    57    58    59    40    41    43    44    45  
   35    36  
   36  
    0  
   38    39    42    46    47    48    50    53    54    57    40    41    43  
   39    42    46    53    40  
   42    46    53    40  
   41    43    44    45    42    50    53    54    57  
   43    44    45    53  
   46    47    48    49    51    50    53    55  
   44    45    53  
   45  
    0  
   47    48    49    51    52    50    53    54    57    55    56    60  
   48    49    51    50    53    55  
   49    51    52    50    53    55    56    60    61    62  
   51    52    50    55    56    60  
   53    54    57    58    59    55    51    52  
   52    53    54    57    55    56    60  
   53    55  
   54    57    58    59  
   57    58    59  
   56    60    61    62    63    64  
   60    61    62  
   58    59  
   59  
    0  
   61    62    63    65    71    64    67  
   62    63    64  
   63    65    66    69    70    71    64    67    68  
   65    66    69    70    71    72    64    67  
   67    68    65    71  
   66    69    70    71    72  
   69    70    71  
   68  
    0  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   3.5000   0.0660   0.047500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   64   3.2800   0.1700  -0.396200   1.8540   1.6400   0.005000000   0.000000000
   65   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   67   2.9000   0.1400  -0.383600   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.390100   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   70   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   71   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   72   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   73   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   74   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    53   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   222.000  1.810
   42    46   200.000  1.824
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   305.000  1.456
   48    49   340.000  1.090
   48    51   250.000  1.540
   48    55   337.000  1.449
   51    52   930.000  1.212
   51    50   440.000  1.369
   50    53   337.000  1.449
   53    54   340.000  1.090
   53    57   317.000  1.522
   57    58   656.000  1.250
   57    59   656.000  1.250
   55    56   434.000  1.010
   55    60   490.000  1.335
   60    61   570.000  1.229
   60    62   270.000  1.486
   62    63   305.000  1.466
   62    64   500.000  1.261
   63    65   520.000  1.370
   63    71   410.000  1.394
   65    66   367.000  1.080
   65    69   265.000  1.745
   69    70   250.000  1.765
   70    71   488.000  1.335
   70    72   420.000  1.385
   72    73   434.000  1.010
   72    74   434.000  1.010
   64    67   285.000  1.423
   67    68   553.000  0.945
   40    41   340.000  1.080
   40    43   549.000  1.340
   43    44   340.000  1.080
   43    45   340.000  1.080
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    53    75.00000  108.68000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    75.00000  111.63000
   33    53    50    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    57    63.00000  111.10000
   33    40    41    35.00000  117.00000
   33    40    43    70.00000  124.00000
   37    42    46    85.00000   99.86700
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    46    47    45.00000  109.41400
   42    46    48    65.00000  119.05700
   42    46    50    80.00000  108.62000
   46    48    49    37.50000  110.70000
   46    48    51   100.00000   86.36000
   46    48    55    80.00000  110.05700
   46    50    51   100.00000   93.00000
   46    50    53    50.00000  132.70000
   48    46    47    37.50000  110.70000
   48    51    52    60.00000  136.58000
   48    51    50    95.00000   92.72400
   48    55    56    38.00000  118.40000
   48    55    60    50.00000  121.90000
   51    48    49    40.00000  113.37500
   51    50    53    50.00000  132.10000
   50    46    47    50.00000  112.01000
   50    46    48   105.00000   87.49700
   50    51    52    75.00000  131.60000
   50    53    54    35.00000  109.50000
   50    53    57    63.00000  110.10000
   53    33    37    58.35000  112.70000
   53    57    58    70.00000  117.00000
   53    57    59    70.00000  117.00000
   57    53    54    35.00000  109.50000
   59    57    58    80.00000  126.00000
   55    48    49    50.00000  112.01000
   55    48    51    75.00000  110.24000
   55    60    61    80.00000  122.90000
   55    60    62    75.00000  109.57000
   60    55    56    35.00000  119.80000
   60    62    63    75.00000  114.44000
   60    62    64    65.00000  123.79500
   62    60    61    80.00000  120.45000
   62    63    65    60.00000  121.09900
   62    63    71    60.00000  126.00000
   62    64    67   110.00000  106.87200
   63    65    66    35.00000  130.70000
   63    65    69    80.00000  111.29200
   63    71    70    70.00000  110.00000
   65    69    70   120.00000   89.04400
   69    65    66    40.00000  122.38200
   69    70    71    80.00000  114.57700
   69    70    72    70.00000  122.29500
   70    72    73    35.00000  113.50000
   70    72    74    35.00000  113.50000
   71    63    65    70.00000  111.00000
   72    70    71    75.00000  125.31200
   74    72    73    35.00000  109.00000
   64    62    63    65.00000  124.33800
   64    67    68    80.00000  101.76000
   40    33    37    70.00000  112.02700
   40    33    53    70.00000  112.02700
   40    43    44    35.00000  120.00000
   40    43    45    35.00000  120.00000
   43    40    41    35.00000  120.00000
   45    43    44    35.00000  117.00000
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   0.01700  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    53    50   0.71400  1.0 1.0
   29    33    53    50   0.04300 -1.0 2.0
   29    33    53    50   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    57  -2.17200  1.0 1.0
   29    33    53    57  -0.85700 -1.0 2.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   33    37    42    46  -0.25000 -1.0 2.0
   33    37    42    46  -0.01800  1.0 3.0
   33    53    57    58   0.00000  1.0 1.0
   33    53    57    59   0.00000  1.0 1.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    45   7.00000 -1.0 2.0
   37    33    53    50   0.42250  1.0 1.0
   37    33    53    50  -0.48100 -1.0 2.0
   37    33    53    50   0.35650  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    57  -0.84850  1.0 1.0
   37    33    53    57  -0.22800 -1.0 2.0
   37    33    53    57   0.29250  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    43   0.09850  1.0 1.0
   37    33    40    43   0.15250 -1.0 2.0
   37    33    40    43  -0.50650  1.0 3.0
   37    42    46    47   0.00000  1.0 1.0
   37    42    46    48   0.25150  1.0 1.0
   37    42    46    48  -1.17200 -1.0 2.0
   37    42    46    48   0.53050  1.0 3.0
   37    42   -46    50   0.01700  1.0 1.0
   37    42   -46    50  -0.23550 -1.0 2.0
   37    42   -46    50   0.21350  1.0 3.0
   38    37    42    46   0.32350  1.0 3.0
   39    37    42    46   0.32350  1.0 3.0
   42    46    48    49   0.00000  1.0 1.0
   42    46    48    51   0.00000  1.0 1.0
   42    46    48    55   0.00000  1.0 1.0
   42    46   -50    51   0.00000  1.0 1.0
   42    46    50    53   0.00000  1.0 1.0
   46    48    51    52  -0.11250  1.0 1.0
   46    48    51    52   0.11400 -1.0 2.0
   46    48    51    52  -0.28950  1.0 3.0
   46    48   -51    50   3.00000 -1.0 2.0
   46    48    55    56   0.00000  1.0 1.0
   46    48    55    60  -0.43950  1.0 1.0
   46    48    55    60  -0.08100 -1.0 2.0
   46    48    55    60   0.03350  1.0 3.0
   46    50   -53    33   0.00000  1.0 1.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    57   0.00000  1.0 1.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    48    55   0.15000  1.0 3.0
   47    46   -50    51   0.00000  1.0 1.0
   47    46    50    53   0.00000  1.0 1.0
   48    46   -50    51   0.00000  1.0 1.0
   48    46    50    53   0.00000  1.0 1.0
   48    51   -50    46   3.00000 -1.0 2.0
   48    51   -50    53   3.00000 -1.0 2.0
   48    55    60    61   3.04450 -1.0 2.0
   48    55    60    62   1.49850  1.0 1.0
   48    55    60    62   1.53950 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    50   0.00000  1.0 1.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    60   0.00000  1.0 1.0
   51    48    55    56   0.00000  1.0 1.0
   51    48    55    60  -0.42300  1.0 1.0
   51    48    55    60  -0.07000 -1.0 2.0
   51    48    55    60   0.04150  1.0 3.0
   51    50    53    33   0.00000  1.0 1.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    57   0.00000  1.0 1.0
   52    51   -50    46   3.00000 -1.0 2.0
   52    51    50    53   3.00000 -1.0 2.0
   50    46   -48    49   0.15000  1.0 3.0
   50    46   -48    51   3.00000 -1.0 2.0
   50    46    48    55   2.20050  1.0 1.0
   50    46    48    55   0.63450 -1.0 2.0
   50    46    48    55  -0.91300  1.0 3.0
   50    53    57    58   0.00000  1.0 1.0
   50    53    57    59   0.00000  1.0 1.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    42   0.44750  1.0 1.0
   53    33   -37    42  -0.17800 -1.0 2.0
   53    33   -37    42   0.20200  1.0 3.0
   53    33    40    41   0.00000  1.0 1.0
   53    33    40    43   0.09850  1.0 1.0
   53    33    40    43   0.15250 -1.0 2.0
   53    33    40    43  -0.50650  1.0 3.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    59   0.00000  1.0 1.0
   55    48    51    52   0.30150 -1.0 2.0
   55    48   -51    50   0.00000  1.0 1.0
   55    60    62    63   1.50000 -1.0 2.0
   55    60    62    64   1.50000 -1.0 2.0
   56    55    60    61   2.45000 -1.0 2.0
   56    55    60    62   2.56700 -1.0 2.0
   60    62    63    65   0.30050 -1.0 2.0
   60    62    63    65   0.16600  1.0 3.0
   60    62    63    71   0.30050 -1.0 2.0
   60    62    63    71   0.16600  1.0 3.0
   60    62    64    67   6.00000 -1.0 2.0
   61    60    62    63   1.00000 -1.0 2.0
   61    60    62    64   1.00000 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    69   3.62500 -1.0 2.0
   62    63    71    70   3.62500 -1.0 2.0
   62    64    67    68   1.00000 -1.0 2.0
   63    62    64    67   6.00000 -1.0 2.0
   63    65   -69    70   3.62500 -1.0 2.0
   65    63   -71    70   2.40000 -1.0 2.0
   65    69   -70    71   3.62500 -1.0 2.0
   65    69    70    72   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   69    70   -71    63   3.62500 -1.0 2.0
   69    70    72    73   0.47600 -1.0 2.0
   69    70    72    74   0.47600 -1.0 2.0
   71    63    65    66   3.62500 -1.0 2.0
   71    63   -65    69   3.62500 -1.0 2.0
   71    70    72    73   1.75000 -1.0 2.0
   71    70    72    74   1.75000 -1.0 2.0
   72    70    71    63   3.62500 -1.0 2.0
   64    62    63    65   1.02250 -1.0 2.0
   64    62    63    71   1.02250 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    53    50   0.21700  1.0 1.0
   40    33    53    50   0.68550 -1.0 2.0
   40    33    53    50  -0.27950  1.0 3.0
   40    33    53    54   0.15000  1.0 3.0
   40    33    53    57  -0.98800  1.0 1.0
   40    33    53    57   0.48800 -1.0 2.0
   40    33    53    57   0.76800  1.0 3.0
   41    40    43    44   7.00000 -1.0 2.0
   41    40    43    45   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   48    50    51    52  10.50000 -1.0 2.0
   53    51    50    46   1.00000 -1.0 2.0
   58    53    57    59  10.50000 -1.0 2.0
   56    60    55    48   1.00000 -1.0 2.0
   55    62    60    61  10.50000 -1.0 2.0
   60    63    62    64  10.50000 -1.0 2.0
   65    71    63    62   4.00000 -1.0 2.0
   69    66    65    63   1.10000 -1.0 2.0
   71    72    70    69   4.00000 -1.0 2.0
   74    70    72    73   1.00000 -1.0 2.0
   33    41    40    43  15.00000 -1.0 2.0
   44    45    43    40  15.00000 -1.0 2.0
END
