* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    143    228     416
    1     0 S   NP   _N1_     1    29.17067    92.46892   -25.81525
    2     1 S   H    _HN1     2     1.02786   113.36204  -109.29294
    3     1 S   H    _H1_     3     1.02950    97.77619     4.61936
    4     1 S   H    _H2_     4     1.02828     9.45349  -165.47393
    5     1 S   CT   _CA1     5     1.50112   113.71734   120.99795
    6     5 S   HC   _HA1     6     1.09573   105.20123    68.93603
    7     5 S   CO3  _C1_     7     1.53797   112.44715   -51.30991
    8     7 S   O2Z  _O11     8     1.26373   115.01065   -42.83374
    9     7 S   O2Z  _O12     9     1.26240   114.94951   136.29894
   10     5 S   CT   _CB1    10     1.53079   107.41780  -173.07706
   11    10 S   HC   HB11    11     1.09832   109.39632   -49.66434
   12    10 S   HC   HB12    12     1.09813   110.44039    66.95219
   13    10 S   CT   _CG1    13     1.52980   112.59032  -170.63947
   14    13 S   HC   HG11    14     1.09586   110.61626   -65.15187
   15    13 S   HC   HG12    15     1.09669   109.80659    54.07650
   16    13 S   C    _CD1    16     1.51795   112.24775   174.54077
   17    16 S   O    _OE1    17     1.22728   123.30407     6.00525
   18    16 S   N    _N2_    18     1.38622   111.63623  -174.09429
   19    18 S   H    _HN2    19     1.01587   118.95705     1.71509
   20    18 S   CT1  _CA2    20     1.46206   123.47968   178.24688
   21    20 S   HC   _HA2    21     1.09730   109.39404     3.50599
   22    20 S   C    _C2_    22     1.53531   108.71585  -112.11911
   23    22 S   O    _O2_    23     1.23067   122.25499  -147.85888
   24    20 S   CT   _CB2    32     1.53255   111.33195   125.51773
   25    24 S   HC   HB21    33     1.09486   109.87983    56.62887
   26    24 S   HC   HB22    34     1.09526   110.46489   175.41897
   27    22 S   N    _N3_    24     1.38330   113.73980    39.62096
   28    27 S   H    _HN3    25     1.01581   119.58988    -3.38084
   29    24 S   S    _SG2    35     1.82800   111.46859   -65.15084
   30    27 S   CT   _CA3    26     1.45285   123.18714   177.09694
   31    30 S   HC   HA31    27     1.09550   107.51853   -64.23624
   32    30 S   HC   HA32    28     1.09557   107.96661    52.18868
   33    29 S   CT   _C10    36     1.87453    99.39176   168.97470
   34    33 S   HC   _H6_    37     1.09154   104.43646    23.52184
   35    30 S   CO3  _C3_    29     1.52953   114.10981   174.18227
   36    35 S   O2Z  _O31    30     1.26371   116.08391    -0.61262
   37    35 S   O2Z  _O32    31     1.26431   114.41083   179.43907
   38    33 S   C3T  _C11    38     1.52204   103.35983   138.19522
   39    38 S   HC   _H7_    39     1.08512   113.59033    54.69439
   40    33 S   CT   _C9_    59     1.56811   111.72046   -95.82709
   41    38 S   C3T  _C12    40     1.53565   128.27327  -144.56633
   42    41 S   HC   _H8_    41     1.08675   115.99132  -164.11073
   43    40 S   CT   _C17    60     1.53860   112.50489   -67.85578
   44    43 S   HC   _H16    61     1.09464   111.76192    58.37664
   45    43 S   HC   _H17    62     1.09434   111.86623   -63.84809
   46    43 S   HC   _H18    63     1.09664   110.71960   175.85239
   47    40 S   OH   _O36    64     1.43825   108.25987    50.36171
   48    47 S   HO   _H19    65     0.97280   108.29992  -179.59170
   49    41 S   CM   _C13    42     1.45321   118.53944   -25.28529
   50    38 S   O3T  _O33    73     1.44501   110.87075   -80.78513
   51    49 S   CM   _C14    43     1.33411   130.25964    65.61719
   52    51 S   HC   _H15    44     1.08169   124.17531     5.55972
   53    51 S   CT   _C15    45     1.48089   111.49619  -162.57400
   54    53 S   HC   _H9_    46     1.09405   111.38340  -129.13846
   55    53 S   CT   _C6_    47     1.54869   114.43064   101.83744
   56    55 S   HC   _H4_    48     1.10087   109.33762  -131.56066
   57    53 S   OS   _O34    70     1.43605   102.72277   -14.43971
   58    55 S   CT   _C5_    49     1.52897   113.87266   107.34128
   59    58 S   HC   _H3_    50     1.09656   111.31141   -46.57010
   60    49 S   CO4  _C16    71     1.47842   124.27350  -107.67575
   61    60 S   O    _O35    72     1.21901   125.27670    -9.11667
   62    58 S   CO4  _C18    51     1.51201   101.34037  -161.21038
   63    62 S   O    _O38    52     1.22081   126.20228  -160.22334
   64    58 S   CT   _C4_    66     1.51956   113.09949    78.74994
   65    64 S   HC   _H10    67     1.09566   111.48160    58.84631
   66    64 S   HC   _H11    68     1.09412   111.27361   -62.10142
   67    64 S   HC   _H12    69     1.09539   110.56012   177.98423
   68    62 S   OS   _O37    53     1.37019   109.49134    20.65889
   69    55 S   CT   _C7_    54     1.53526   116.71627    -8.33489
   70    69 S   HC   _H5_    55     1.09328   110.95603    51.23625
   71    69 S   CT   _C8_    56     1.54081   115.07877   -76.58426
   72    71 S   HC   _H13    57     1.09922   107.33998   -88.25689
   73    71 S   HC   _H14    58     1.08979   111.93963    27.44949
  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
  18   8   2   1   1  11   5  15   9   4   9   4   3   2   5   1
   9   2  10   5  14   6  17   9   4  11   8   1   1   9   3   5
   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    71    40    43    47    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    69    71    72    73    40    43    44    45    46    47    48    50  
   38    39    41    71    40    43    47    50  
   36    37  
   37  
    0  
   39    41    42    49    51    71    40    43    47    60    50  
   41    42    49    40    50  
   43    44    45    46    47    48    50    41    55    68    69    70    71    72    73  
   42    49    51    52    53    57    60    61    50  
   49    51    60    50  
   44    45    46    47    48    69    71    72    73  
   45    46    47    71  
   46    47    71  
   47    71  
   48    69    71    72    73  
   71  
   51    52    53    54    55    57    60    61    50  
   51    60  
   52    53    54    55    56    58    69    57    60    61  
   53    54    55    57    60  
   54    55    56    58    59    62    68    69    70    71    64    57    60    61  
   55    56    58    69    57    60  
   56    58    59    62    63    68    69    70    71    72    73    64    65    66    67    57    60  
   58    59    62    68    69    70    71    64    57  
   60    61    58    69  
   59    62    63    68    69    70    71    64    65    66    67  
   62    63    68    69    64    65    66    67  
   61  
    0  
   63    68    69    70    71    64    65    66    67  
   68    69    64  
   65    66    67    68    69  
   66    67  
   67  
    0  
   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   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   275.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.088
   38    41   260.000  1.509
   38    50   335.000  1.432
   41    42   340.000  1.088
   41    49   305.000  1.480
   41    50   335.000  1.432
   49    51   549.000  1.340
   49    60   320.000  1.462
   51    52   340.000  1.080
   51    53   317.000  1.510
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    57   320.000  1.410
   55    56   340.000  1.090
   55    58   268.000  1.529
   55    69   268.000  1.529
   58    59   340.000  1.090
   58    62   317.000  1.522
   58    64   268.000  1.529
   62    63   570.000  1.229
   62    68   214.000  1.327
   68    69   320.000  1.410
   69    70   340.000  1.090
   69    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    40   268.000  1.529
   40    43   268.000  1.529
   40    47   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   57    60   214.000  1.327
   60    61   570.000  1.229
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    40.00000  115.04500
   33    38    41    60.00000  120.94000
   33    38    50    80.00000  116.47100
   33    40    71    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    45.00000  109.38400
   38    41    42    37.50000  117.20000
   38    41    49    60.00000  120.58800
   38    41    50    15.00000   60.43100
   38    50    41    15.00000   59.14900
   41    38    39    37.50000  117.20000
   41    49    51    55.00000  125.06700
   41    49    60    65.00000  114.68000
   49    41    42    40.00000  112.45000
   49    51    52    35.00000  120.00000
   49    51    53    70.00000  124.00000
   49    60    57    90.00000  111.29400
   49    60    61    80.00000  123.72100
   51    53    54    35.00000  109.50000
   51    53    55    70.00000  112.02700
   51    53    57    85.00000  110.90400
   53    51    52    35.00000  117.00000
   53    55    56    37.50000  110.70000
   53    55    58    58.35000  112.70000
   53    55    69    58.35000  112.70000
   53    57    60    83.00000  116.90000
   55    53    54    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    62    63.00000  111.10000
   55    58    64    58.35000  112.70000
   55    69    68    50.00000  109.50000
   55    69    70    37.50000  110.70000
   55    69    71    58.35000  112.70000
   58    55    56    37.50000  110.70000
   58    62    63    80.00000  120.40000
   58    62    68    81.00000  111.40000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    67    37.50000  110.70000
   62    58    59    35.00000  109.50000
   62    68    69    83.00000  116.90000
   68    62    63    83.00000  123.40000
   68    69    70    35.00000  109.50000
   68    69    71    50.00000  109.50000
   69    55    56    37.50000  110.70000
   69    55    58    58.35000  112.70000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    40    58.35000  112.70000
   71    69    70    37.50000  110.70000
   71    40    43    58.35000  112.70000
   71    40    47    50.00000  109.50000
   73    71    72    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.37300
   40    71    72    37.50000  110.70000
   40    71    73    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    50.00000  109.50000
   64    58    59    37.50000  110.70000
   64    58    62    63.00000  111.10000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    50.00000  109.50000
   57    60    61    83.00000  123.40000
   60    49    51    65.00000  118.96000
   50    38    39    50.00000  114.27700
   50    38    41    15.00000   60.43100
   50    41    42    50.00000  114.27700
   50    41    49    85.00000  114.23300
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    50   0.56750  1.0 1.0
   29    33    38    50  -0.07550 -1.0 2.0
   29    33    38    50   0.20000  1.0 3.0
   29    33    40    71   0.44750  1.0 1.0
   29    33    40    71  -0.17800 -1.0 2.0
   29    33    40    71   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    49   0.34400  1.0 1.0
   33    38    41    49   0.09450 -1.0 2.0
   33    38    41    49   0.11100  1.0 3.0
   33    38   -41    50   0.02550  1.0 1.0
   33    38   -41    50  -0.02600 -1.0 2.0
   33    38   -41    50   1.20400  1.0 3.0
   33    38   -50    41   0.06250  1.0 1.0
   33    38   -50    41  -0.01100 -1.0 2.0
   33    38   -50    41   0.28050  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    50   0.23400  1.0 3.0
   34    33    40    71   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    71   0.47050  1.0 1.0
   38    33    40    71   0.03900 -1.0 2.0
   38    33    40    71   0.20100  1.0 3.0
   38    33    40    43   0.47050  1.0 1.0
   38    33    40    43   0.03900 -1.0 2.0
   38    33    40    43   0.20100  1.0 3.0
   38    33    40    47   0.86500  1.0 1.0
   38    33    40    47  -0.17500 -1.0 2.0
   38    33    40    47   0.20800  1.0 3.0
   38    41    49    51   0.09850  1.0 1.0
   38    41    49    51   0.15250 -1.0 2.0
   38    41    49    51  -0.50650  1.0 3.0
   38    41    49    60   0.09700  1.0 1.0
   38    41    49    60   0.15600 -1.0 2.0
   38    41    49    60  -0.50800  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38   -41    50   0.23400  1.0 3.0
   39    38   -50    41   0.36800  1.0 3.0
   41    49    51    52   7.00000 -1.0 2.0
   41    49    51    53   7.00000 -1.0 2.0
   41    49    60    57  -0.15000  1.0 1.0
   41    49    60    57   0.89550 -1.0 2.0
   41    49    60    57  -0.06900  1.0 3.0
   41    49    60    61  -0.64400  1.0 1.0
   41    49    60    61   0.26850 -1.0 2.0
   42    41    49    51   0.00000  1.0 1.0
   42    41    49    60   0.15000  1.0 3.0
   42    41   -50    38   0.36800  1.0 3.0
   49    41   -50    38  -0.77900  1.0 1.0
   49    41   -50    38  -0.36900 -1.0 2.0
   49    41   -50    38   0.40400  1.0 3.0
   49    51    53    54   0.00000  1.0 1.0
   49    51    53    55   0.09850  1.0 1.0
   49    51    53    55   0.15250 -1.0 2.0
   49    51    53    55  -0.50650  1.0 3.0
   49    51   -53    57   0.39000  1.0 1.0
   49    51   -53    57  -0.05800 -1.0 2.0
   49    51   -53    57  -0.55150  1.0 3.0
   51    49   -60    57  -0.56150  1.0 1.0
   51    49   -60    57   2.19150 -1.0 2.0
   51    49    60    61   1.00000 -1.0 2.0
   51    53    55    56   0.15000  1.0 3.0
   51    53    55    58   0.34400  1.0 1.0
   51    53    55    58   0.09450 -1.0 2.0
   51    53    55    58   0.11100  1.0 3.0
   51    53    55    69   0.34400  1.0 1.0
   51    53    55    69   0.09450 -1.0 2.0
   51    53    55    69   0.11100  1.0 3.0
   51    53   -57    60  -0.82050  1.0 1.0
   51    53   -57    60   0.00600 -1.0 2.0
   51    53   -57    60   0.04400  1.0 3.0
   52    51    53    54   0.33100  1.0 3.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    57   0.00000  1.0 1.0
   53    55    58    59   0.15000  1.0 3.0
   53    55    58    62  -0.95700  1.0 1.0
   53    55    58    62  -0.18200 -1.0 2.0
   53    55    58    62   0.29450  1.0 3.0
   53    55    58    64   0.56750  1.0 1.0
   53    55    58    64  -0.07550 -1.0 2.0
   53    55    58    64   0.20000  1.0 3.0
   53    55    69    68   0.62750  1.0 1.0
   53    55    69    68  -0.30950 -1.0 2.0
   53    55    69    68   0.27300  1.0 3.0
   53    55    69    70   0.15000  1.0 3.0
   53    55    69    71   0.56750  1.0 1.0
   53    55    69    71  -0.07550 -1.0 2.0
   53    55    69    71   0.20000  1.0 3.0
   53    57   -60    49   2.00000 -1.0 2.0
   53    57    60    61   3.00000 -1.0 2.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    58   0.15000  1.0 3.0
   54    53    55    69   0.15000  1.0 3.0
   54    53    57    60   0.08050  1.0 3.0
   55    53    57    60  -0.25900  1.0 1.0
   55    53    57    60  -0.47000 -1.0 2.0
   55    53    57    60   0.11750  1.0 3.0
   55    58    62    63   0.30150 -1.0 2.0
   55    58   -62    68   0.36750  1.0 3.0
   55    58    64    65   0.15000  1.0 3.0
   55    58    64    66   0.15000  1.0 3.0
   55    58    64    67   0.15000  1.0 3.0
   55    69    71    72   0.15000  1.0 3.0
   55    69    71    73   0.15000  1.0 3.0
   55    69    71    40   0.56750  1.0 1.0
   55    69    71    40  -0.07550 -1.0 2.0
   55    69    71    40   0.20000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    62  -0.11250  1.0 3.0
   56    55    58    64   0.15000  1.0 3.0
   56    55    69    68   0.23400  1.0 3.0
   56    55    69    70   0.15000  1.0 3.0
   56    55    69    71   0.15000  1.0 3.0
   58    55   -69    68   0.62750  1.0 1.0
   58    55   -69    68  -0.30950 -1.0 2.0
   58    55   -69    68   0.27300  1.0 3.0
   58    55    69    70   0.15000  1.0 3.0
   58    55    69    71   0.56750  1.0 1.0
   58    55    69    71  -0.07550 -1.0 2.0
   58    55    69    71   0.20000  1.0 3.0
   58    62   -68    69   1.63150  1.0 1.0
   58    62   -68    69   2.92000 -1.0 2.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    68   0.00000  1.0 1.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    67   0.15000  1.0 3.0
   62    58    64    65  -0.11250  1.0 3.0
   62    58    64    66  -0.11250  1.0 3.0
   62    58    64    67  -0.11250  1.0 3.0
   62    68   -69    55  -0.25900  1.0 1.0
   62    68   -69    55  -0.47000 -1.0 2.0
   62    68   -69    55   0.11750  1.0 3.0
   62    68    69    70   0.08050  1.0 3.0
   62    68    69    71  -0.25900  1.0 1.0
   62    68    69    71  -0.47000 -1.0 2.0
   62    68    69    71   0.11750  1.0 3.0
   63    62    68    69   3.00000 -1.0 2.0
   68    69    71    72   0.23400  1.0 3.0
   68    69    71    73   0.23400  1.0 3.0
   68    69    71    40   0.62750  1.0 1.0
   68    69    71    40  -0.30950 -1.0 2.0
   68    69    71    40   0.27300  1.0 3.0
   69    55    58    59   0.15000  1.0 3.0
   69    55   -58    62  -0.95700  1.0 1.0
   69    55   -58    62  -0.18200 -1.0 2.0
   69    55   -58    62   0.29450  1.0 3.0
   69    55    58    64   0.56750  1.0 1.0
   69    55    58    64  -0.07550 -1.0 2.0
   69    55    58    64   0.20000  1.0 3.0
   69    71    40    33   0.56750  1.0 1.0
   69    71    40    33  -0.07550 -1.0 2.0
   69    71    40    33   0.20000  1.0 3.0
   69    71    40    43   0.56750  1.0 1.0
   69    71    40    43  -0.07550 -1.0 2.0
   69    71    40    43   0.20000  1.0 3.0
   69    71    40    47   0.86500  1.0 1.0
   69    71    40    47  -0.17500 -1.0 2.0
   69    71    40    47   0.20800  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    40   0.15000  1.0 3.0
   71    40    43    44   0.15000  1.0 3.0
   71    40    43    45   0.15000  1.0 3.0
   71    40    43    46   0.15000  1.0 3.0
   71    40    47    48  -0.11600  1.0 1.0
   71    40    47    48  -0.09450 -1.0 2.0
   71    40    47    48   0.21250  1.0 3.0
   72    71    40    33   0.15000  1.0 3.0
   72    71    40    43   0.15000  1.0 3.0
   72    71    40    47   0.23400  1.0 3.0
   73    71    40    33   0.15000  1.0 3.0
   73    71    40    43   0.15000  1.0 3.0
   73    71    40    47   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.07850  1.0 1.0
   40    33    38    41  -0.03950 -1.0 2.0
   40    33    38    41   0.67350  1.0 3.0
   40    33    38    50   0.02550  1.0 1.0
   40    33    38    50  -0.02600 -1.0 2.0
   40    33    38    50   1.20400  1.0 3.0
   43    40    47    48  -0.11600  1.0 1.0
   43    40    47    48  -0.09450 -1.0 2.0
   43    40    47    48   0.21250  1.0 3.0
   47    40    43    44   0.23400  1.0 3.0
   47    40    43    45   0.23400  1.0 3.0
   47    40    43    46   0.23400  1.0 3.0
   64    58    62    63   0.30150 -1.0 2.0
   64    58    62    68   0.36750  1.0 3.0
   57    53    55    56   0.23400  1.0 3.0
   57    53    55    58   0.62750  1.0 1.0
   57    53    55    58  -0.30950 -1.0 2.0
   57    53    55    58   0.27300  1.0 3.0
   57    53    55    69   0.62750  1.0 1.0
   57    53    55    69  -0.30950 -1.0 2.0
   57    53    55    69   0.27300  1.0 3.0
   60    49    51    52   7.00000 -1.0 2.0
   60    49   -51    53   7.00000 -1.0 2.0
   50    38   -41    42   0.23400  1.0 3.0
   50    38   -41    49   0.61850  1.0 1.0
   50    38   -41    49  -0.22750 -1.0 2.0
   50    38   -41    49   0.15300  1.0 3.0
   50    41    49    51   0.39000  1.0 1.0
   50    41    49    51  -0.05800 -1.0 2.0
   50    41    49    51  -0.55150  1.0 3.0
   50    41    49    60   0.09700  1.0 1.0
   50    41    49    60   0.15600 -1.0 2.0
   50    41    49    60  -0.50800  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
   41    60    49    51   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   58    68    62    63  10.50000 -1.0 2.0
   49    57    60    61  10.50000 -1.0 2.0
END
