* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    145    237     427
    1     0 S   NP   _N1_     1    28.02506    97.39890   -23.76702
    2     1 S   H    _HN1     2     1.02957    72.44701    -4.18367
    3     1 S   H    _H1_     3     1.02835    36.16653   158.37020
    4     1 S   H    _H2_     4     1.02777   109.63222  -107.92218
    5     1 S   CT   _CA1     5     1.50142   133.99871    97.50462
    6     5 S   HC   _HA1     6     1.09577   105.19226    92.63402
    7     5 S   CO3  _C1_     7     1.53768   112.33339   -27.50428
    8     7 S   O2Z  _O11     8     1.26365   114.99240   -44.28538
    9     7 S   O2Z  _O12     9     1.26232   114.92321   134.69766
   10     5 S   CT   _CB1    10     1.53087   107.40800  -149.50564
   11    10 S   HC   HB11    11     1.09830   109.26699   -50.56206
   12    10 S   HC   HB12    12     1.09814   110.45691    65.96967
   13    10 S   CT   _CG1    13     1.53037   112.71082  -171.62877
   14    13 S   HC   HG11    14     1.09592   110.51690   -65.53901
   15    13 S   HC   HG12    15     1.09660   109.89001    53.67307
   16    13 S   C    _CD1    16     1.51859   112.25270   173.99312
   17    16 S   O    _OE1    17     1.22766   123.25616     2.15921
   18    16 S   N    _N2_    18     1.38574   111.78466  -177.74971
   19    18 S   H    _HN2    19     1.01556   119.07797     3.80215
   20    18 S   CT1  _CA2    20     1.45827   122.78047   177.39203
   21    20 S   HC   _HA2    21     1.09732   108.86479    25.84085
   22    20 S   C    _C2_    22     1.52965   106.98668   -91.16403
   23    22 S   O    _O2_    23     1.22983   123.06366   -26.95267
   24    20 S   CT   _CB2    32     1.53176   112.37031   149.06431
   25    24 S   HC   HB21    33     1.09597   110.30876    54.23449
   26    24 S   HC   HB22    34     1.09478   109.96569   173.14854
   27    22 S   N    _N3_    24     1.38507   112.57727   155.76628
   28    27 S   H    _HN3    25     1.01661   120.34534    -2.10561
   29    24 S   S    _SG2    35     1.82575   111.24896   -66.49564
   30    27 S   CT   _CA3    26     1.45356   122.46558   178.62855
   31    30 S   HC   HA31    27     1.09568   107.80468   -55.81677
   32    30 S   HC   HA32    28     1.09563   107.60903    60.50799
   33    29 S   CT   _C12    36     1.85389    99.43368   177.91775
   34    33 S   HC   _H6_    37     1.09475   105.17166   -46.83075
   35    30 S   CO3  _C3_    29     1.52885   114.35013  -177.72643
   36    35 S   O2Z  _O31    30     1.26331   116.06496    -0.07913
   37    35 S   O2Z  _O32    31     1.26438   114.40729   179.88131
   38    33 S   C3T  _C13    38     1.50443   108.00463    69.12850
   39    38 S   HC   _H7_    39     1.07804   116.81509  -100.54954
   40    38 S   C3T  _C14    40     1.49083   110.15836   115.71100
   41    40 S   CT   _C10    41     1.52787   109.40758    -3.65232
   42    41 S   HC   _H5_    42     1.10372   104.76328   -95.56259
   43    38 S   O3T  _O33    69     1.43227   116.74260    51.32585
   44    40 S   CT   _C15    70     1.48958   120.80805   150.85512
   45    44 S   HC   _H15    71     1.09613   111.37344    33.69206
   46    44 S   HC   _H16    72     1.09350   111.26966   -85.56289
   47    44 S   HC   _H17    73     1.09381   111.05156   153.01259
   48    41 S   CT   _C9_    43     1.53842   112.99650   149.28153
   49    48 S   HC   _H4_    44     1.09506   110.93804   -36.54071
   50    33 S   CT   _C11    61     1.60444   119.87561  -171.08403
   51    50 S   OM   _O34    62     1.32700   109.40602    18.53606
   52    48 S   CT   _C8_    45     1.52166   116.80072  -163.64269
   53    52 S   HC   _H3_    46     1.09629   111.57791   -36.27503
   54    52 S   CM   _C17    47     1.49665    99.77698  -148.99291
   55    52 S   CT   _C7_    54     1.52740   111.79457    88.73549
   56    55 S   HC   _H13    55     1.09733   109.53697   164.64662
   57    55 S   HC   _H14    56     1.09747   110.57816    48.74375
   58    54 S   CO4  _C16    48     1.47624   108.54271    24.43036
   59    58 S   O    _O36    49     1.21734   127.26006   168.84866
   60    54 S   CM   _C18    51     1.33631   130.47574  -154.59781
   61    60 S   HC   _H18    52     1.08409   121.45822    -1.10677
   62    60 S   HC   _H19    53     1.08545   121.59623   179.41083
   63    55 S   CT   _C6_    57     1.52387   114.50330   -75.70900
   64    63 S   HC   _H11    58     1.10032   107.33614  -179.80317
   65    63 S   HC   _H12    59     1.09870   108.57336   -68.99568
   66    48 S   OS   _O35    50     1.44910   107.69158    78.45908
   67    63 S   CT   _C5_    60     1.55339   118.78249    57.37755
   68    67 S   CT   _C4_    63     1.53659   109.87180    65.05613
   69    68 S   HC   _H8_    64     1.09456   111.69025   170.07170
   70    68 S   HC   _H9_    65     1.09720   110.36670    53.35720
   71    68 S   HC   _H10    66     1.08943   113.27687   -67.09751
   72    67 S   OH   _O37    67     1.45326   103.74376   175.69288
   73    72 S   HO   _H20    68     0.97473   105.84020    75.80647
  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  13   5  14  20   9   6   5   2   1   1  15
   7  14   4  15   8  10  11   5   4   5   2   3   1   1   9   4
   3   1   6   5   3   2   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    67    50    51    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    48    63    67    50    51    68    72    43    44  
   38    39    40    41    67    50    51    43  
   36    37  
   37  
    0  
   39    40    41    42    48    67    50    51    43    44    45    46    47  
   40    41    50    43    44  
   41    42    48    49    52    66    67    50    51    43    44    45    46    47  
   42    48    49    52    53    54    58    66    55    63    67    50    51    68    72    43    44    45    46    47  
   48    49    52    66    67    50    51    43    44  
   44    45    46    47    48    50  
   45    46    47    48    50  
   46    47  
   47  
    0  
   49    52    53    54    58    59    66    60    55    56    57    63    67    50    51  
   52    53    54    58    66    55    50  
   51    68    69    70    71    72    73    52    55    63    64    65    66    67  
   68    72    63    67  
   53    54    58    59    66    60    61    62    55    56    57    63    64    65    67  
   54    58    66    60    55    56    57    63  
   58    59    66    60    61    62    55    56    57    63  
   56    57    63    64    65    67    68    72    58    60    66  
   57    63    64    65    67  
   63    64    65    67  
   59    66    60    61    62  
   66    60  
   61    62    66  
   62  
    0  
   64    65    67    68    69    70    71    72    73  
   65    67    68    72  
   67    68    72  
    0  
   68    69    70    71    72    73  
   69    70    71    72    73  
   70    71    72  
   71    72  
   72  
   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   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    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    50   268.000  1.529
   38    39   340.000  1.088
   38    40   260.000  1.509
   38    43   335.000  1.432
   40    41   275.000  1.510
   40    43   335.000  1.432
   40    44   275.000  1.510
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    50   268.000  1.529
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    66   320.000  1.410
   52    53   340.000  1.090
   52    54   317.000  1.510
   52    55   268.000  1.529
   54    58   320.000  1.462
   54    60   549.000  1.340
   58    59   570.000  1.229
   58    66   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    50   268.000  1.529
   67    68   268.000  1.529
   67    72   320.000  1.410
   50    51   570.000  1.307
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    50    75.00000  111.63000
   33    38    39    40.00000  115.04500
   33    38    40    60.00000  120.94000
   33    38    43    80.00000  116.47100
   33    50    41    58.35000  112.70000
   33    50    67    58.35000  112.70000
   33    50    51    50.00000  109.50000
   38    33    34    45.00000  109.38400
   38    40    41    60.00000  120.94000
   38    40    43    15.00000   60.43100
   38    40    44    60.00000  120.94000
   38    43    40    15.00000   59.14900
   40    38    39    37.50000  117.20000
   40    41    42    45.00000  109.38400
   40    41    48    70.00000  112.37300
   40    41    50    70.00000  112.37300
   40    44    45    45.00000  109.38400
   40    44    46    45.00000  109.38400
   40    44    47    45.00000  109.38400
   41    48    49    37.50000  110.70000
   41    48    52    58.35000  112.70000
   41    48    66    50.00000  109.50000
   41    50    67    58.35000  112.70000
   41    50    51    50.00000  109.50000
   48    41    42    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    54    70.00000  112.02700
   48    52    55    58.35000  112.70000
   48    66    58    83.00000  116.90000
   52    48    49    37.50000  110.70000
   52    54    58    65.00000  116.34900
   52    54    60    70.00000  124.00000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    63    58.35000  112.70000
   54    52    53    35.00000  109.50000
   54    58    59    80.00000  123.72100
   54    58    66    90.00000  111.29400
   54    60    61    35.00000  120.00000
   54    60    62    35.00000  120.00000
   66    48    49    35.00000  109.50000
   66    48    52    50.00000  109.50000
   66    58    59    83.00000  123.40000
   60    54    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   55    52    53    37.50000  110.70000
   55    52    54    70.00000  112.02700
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    67    58.35000  112.70000
   57    55    56    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    67    50    58.35000  112.70000
   63    67    68    58.35000  112.70000
   63    67    72    50.00000  109.50000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    50    51    50.00000  109.50000
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    71    37.50000  110.70000
   67    72    73    55.00000  108.50000
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.37300
   50    41    42    37.50000  110.70000
   50    41    48    58.35000  112.70000
   68    67    50    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    50    50.00000  109.50000
   72    67    68    50.00000  109.50000
   43    38    39    50.00000  114.27700
   43    38    40    15.00000   60.43100
   43    40    41    80.00000  116.47100
   44    40    41    58.35000  112.70000
   44    40    43    80.00000  116.47100
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    50    41   0.44750  1.0 1.0
   29    33    50    41  -0.17800 -1.0 2.0
   29    33    50    41   0.20200  1.0 3.0
   29    33    50    67   0.44750  1.0 1.0
   29    33    50    67  -0.17800 -1.0 2.0
   29    33    50    67   0.20200  1.0 3.0
   29    33    50    51   0.56750  1.0 1.0
   29    33    50    51  -0.07550 -1.0 2.0
   29    33    50    51   0.20000  1.0 3.0
   33    38   -40    41   0.56750  1.0 1.0
   33    38   -40    41  -0.07550 -1.0 2.0
   33    38   -40    41   0.20000  1.0 3.0
   33    38   -40    43   0.02550  1.0 1.0
   33    38   -40    43  -0.02600 -1.0 2.0
   33    38   -40    43   1.20400  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38   -43    40   0.06250  1.0 1.0
   33    38   -43    40  -0.01100 -1.0 2.0
   33    38   -43    40   0.28050  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    43   0.23400  1.0 3.0
   34    33    50    41   0.15000  1.0 3.0
   34    33    50    67   0.15000  1.0 3.0
   34    33    50    51   0.23400  1.0 3.0
   38    33   -50    41   0.47050  1.0 1.0
   38    33   -50    41   0.03900 -1.0 2.0
   38    33   -50    41   0.20100  1.0 3.0
   38    33    50    67   0.47050  1.0 1.0
   38    33    50    67   0.03900 -1.0 2.0
   38    33    50    67   0.20100  1.0 3.0
   38    33    50    51  -0.26800  1.0 1.0
   38    33    50    51   0.69150 -1.0 2.0
   38    33    50    51  -0.48750  1.0 3.0
   38    40    41    42   0.15000  1.0 3.0
   38    40    41    48   0.07850  1.0 1.0
   38    40    41    48  -0.03950 -1.0 2.0
   38    40    41    48   0.67350  1.0 3.0
   38    40   -41    50   0.07850  1.0 1.0
   38    40   -41    50  -0.03950 -1.0 2.0
   38    40   -41    50   0.67350  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    47   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38   -40    43   0.23400  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38   -43    40   0.36800  1.0 3.0
   40    41    48    49   0.15000  1.0 3.0
   40    41    48    52   0.47050  1.0 1.0
   40    41    48    52   0.03900 -1.0 2.0
   40    41    48    52   0.20100  1.0 3.0
   40    41    48    66  -0.26800  1.0 1.0
   40    41    48    66   0.69150 -1.0 2.0
   40    41    48    66  -0.48750  1.0 3.0
   40    41   -50    33   0.47050  1.0 1.0
   40    41   -50    33   0.03900 -1.0 2.0
   40    41   -50    33   0.20100  1.0 3.0
   40    41    50    67   0.47050  1.0 1.0
   40    41    50    67   0.03900 -1.0 2.0
   40    41    50    67   0.20100  1.0 3.0
   40    41    50    51  -0.26800  1.0 1.0
   40    41    50    51   0.69150 -1.0 2.0
   40    41    50    51  -0.48750  1.0 3.0
   41    40   -43    38   0.06250  1.0 1.0
   41    40   -43    38  -0.01100 -1.0 2.0
   41    40   -43    38   0.28050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    48    52    53   0.15000  1.0 3.0
   41    48    52    54   0.34400  1.0 1.0
   41    48    52    54   0.09450 -1.0 2.0
   41    48    52    54   0.11100  1.0 3.0
   41    48    52    55   0.56750  1.0 1.0
   41    48    52    55  -0.07550 -1.0 2.0
   41    48    52    55   0.20000  1.0 3.0
   41    48    66    58  -0.25900  1.0 1.0
   41    48    66    58  -0.47000 -1.0 2.0
   41    48    66    58   0.11750  1.0 3.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    52   0.15000  1.0 3.0
   42    41    48    66   0.23400  1.0 3.0
   42    41    50    33   0.15000  1.0 3.0
   42    41    50    67   0.15000  1.0 3.0
   42    41    50    51   0.23400  1.0 3.0
   48    41    50    33   0.56750  1.0 1.0
   48    41    50    33  -0.07550 -1.0 2.0
   48    41    50    33   0.20000  1.0 3.0
   48    41    50    67   0.56750  1.0 1.0
   48    41    50    67  -0.07550 -1.0 2.0
   48    41    50    67   0.20000  1.0 3.0
   48    41    50    51   0.62750  1.0 1.0
   48    41    50    51  -0.30950 -1.0 2.0
   48    41    50    51   0.27300  1.0 3.0
   48    52   -54    58   0.09700  1.0 1.0
   48    52   -54    58   0.15600 -1.0 2.0
   48    52   -54    58  -0.50800  1.0 3.0
   48    52    54    60   0.09850  1.0 1.0
   48    52    54    60   0.15250 -1.0 2.0
   48    52    54    60  -0.50650  1.0 3.0
   48    52    55    56   0.15000  1.0 3.0
   48    52    55    57   0.15000  1.0 3.0
   48    52    55    63   0.56750  1.0 1.0
   48    52    55    63  -0.07550 -1.0 2.0
   48    52    55    63   0.20000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    55   0.15000  1.0 3.0
   49    48    66    58   0.08050  1.0 3.0
   52    48   -66    58  -0.25900  1.0 1.0
   52    48   -66    58  -0.47000 -1.0 2.0
   52    48   -66    58   0.11750  1.0 3.0
   52    54    58    59  -0.64400  1.0 1.0
   52    54    58    59   0.26850 -1.0 2.0
   52    54   -58    66  -0.15000  1.0 1.0
   52    54   -58    66   0.89550 -1.0 2.0
   52    54   -58    66  -0.06900  1.0 3.0
   52    54    60    61   7.00000 -1.0 2.0
   52    54    60    62   7.00000 -1.0 2.0
   52    55    63    64   0.15000  1.0 3.0
   52    55    63    65   0.15000  1.0 3.0
   52    55    63    67   0.56750  1.0 1.0
   52    55    63    67  -0.07550 -1.0 2.0
   52    55    63    67   0.20000  1.0 3.0
   53    52    54    58   0.15000  1.0 3.0
   53    52    54    60   0.00000  1.0 1.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    63   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    63   0.34400  1.0 1.0
   54    52    55    63   0.09450 -1.0 2.0
   54    52    55    63   0.11100  1.0 3.0
   54    58   -66    48   2.00000 -1.0 2.0
   58    54    60    61   7.00000 -1.0 2.0
   58    54    60    62   7.00000 -1.0 2.0
   59    58    66    48   3.00000 -1.0 2.0
   66    48    52    53   0.23400  1.0 3.0
   66    48   -52    54   0.61850  1.0 1.0
   66    48   -52    54  -0.22750 -1.0 2.0
   66    48   -52    54   0.15300  1.0 3.0
   66    48    52    55   0.62750  1.0 1.0
   66    48    52    55  -0.30950 -1.0 2.0
   66    48    52    55   0.27300  1.0 3.0
   60    54    58    59   1.00000 -1.0 2.0
   60    54    58    66  -0.56150  1.0 1.0
   60    54    58    66   2.19150 -1.0 2.0
   55    52    54    58   0.09700  1.0 1.0
   55    52    54    58   0.15600 -1.0 2.0
   55    52    54    58  -0.50800  1.0 3.0
   55    52    54    60   0.09850  1.0 1.0
   55    52    54    60   0.15250 -1.0 2.0
   55    52    54    60  -0.50650  1.0 3.0
   55    63    67    50   0.56750  1.0 1.0
   55    63    67    50  -0.07550 -1.0 2.0
   55    63    67    50   0.20000  1.0 3.0
   55    63    67    68   0.56750  1.0 1.0
   55    63    67    68  -0.07550 -1.0 2.0
   55    63    67    68   0.20000  1.0 3.0
   55    63    67    72   0.86500  1.0 1.0
   55    63    67    72  -0.17500 -1.0 2.0
   55    63    67    72   0.20800  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    67   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    65   0.15000  1.0 3.0
   57    55    63    67   0.15000  1.0 3.0
   63    67    50    33   0.56750  1.0 1.0
   63    67    50    33  -0.07550 -1.0 2.0
   63    67    50    33   0.20000  1.0 3.0
   63    67    50    41   0.56750  1.0 1.0
   63    67    50    41  -0.07550 -1.0 2.0
   63    67    50    41   0.20000  1.0 3.0
   63    67    50    51   0.62750  1.0 1.0
   63    67    50    51  -0.30950 -1.0 2.0
   63    67    50    51   0.27300  1.0 3.0
   63    67    68    69   0.15000  1.0 3.0
   63    67    68    70   0.15000  1.0 3.0
   63    67    68    71   0.15000  1.0 3.0
   63    67    72    73  -0.11600  1.0 1.0
   63    67    72    73  -0.09450 -1.0 2.0
   63    67    72    73   0.21250  1.0 3.0
   64    63    67    50   0.15000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    72   0.23400  1.0 3.0
   65    63    67    50   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    72   0.23400  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.07850  1.0 1.0
   50    33   -38    40  -0.03950 -1.0 2.0
   50    33   -38    40   0.67350  1.0 3.0
   50    33    38    43   0.02550  1.0 1.0
   50    33    38    43  -0.02600 -1.0 2.0
   50    33    38    43   1.20400  1.0 3.0
   50    41    48    49   0.15000  1.0 3.0
   50    41    48    52   0.56750  1.0 1.0
   50    41    48    52  -0.07550 -1.0 2.0
   50    41    48    52   0.20000  1.0 3.0
   50    41    48    66   0.62750  1.0 1.0
   50    41    48    66  -0.30950 -1.0 2.0
   50    41    48    66   0.27300  1.0 3.0
   50    67    68    69   0.15000  1.0 3.0
   50    67    68    70   0.15000  1.0 3.0
   50    67    68    71   0.15000  1.0 3.0
   50    67    72    73  -0.11600  1.0 1.0
   50    67    72    73  -0.09450 -1.0 2.0
   50    67    72    73   0.21250  1.0 3.0
   68    67    50    33   0.56750  1.0 1.0
   68    67    50    33  -0.07550 -1.0 2.0
   68    67    50    33   0.20000  1.0 3.0
   68    67    50    41   0.56750  1.0 1.0
   68    67    50    41  -0.07550 -1.0 2.0
   68    67    50    41   0.20000  1.0 3.0
   68    67    50    51   0.62750  1.0 1.0
   68    67    50    51  -0.30950 -1.0 2.0
   68    67    50    51   0.27300  1.0 3.0
   68    67    72    73  -0.11600  1.0 1.0
   68    67    72    73  -0.09450 -1.0 2.0
   68    67    72    73   0.21250  1.0 3.0
   72    67    50    33   0.86500  1.0 1.0
   72    67    50    33  -0.17500 -1.0 2.0
   72    67    50    33   0.20800  1.0 3.0
   72    67    50    41   0.86500  1.0 1.0
   72    67    50    41  -0.17500 -1.0 2.0
   72    67    50    41   0.20800  1.0 3.0
   72    67    50    51   3.69350  1.0 1.0
   72    67    50    51  -1.82950 -1.0 2.0
   72    67    68    69   0.23400  1.0 3.0
   72    67    68    70   0.23400  1.0 3.0
   72    67    68    71   0.23400  1.0 3.0
   43    38   -40    41   0.02550  1.0 1.0
   43    38   -40    41  -0.02600 -1.0 2.0
   43    38   -40    41   1.20400  1.0 3.0
   43    38   -40    44   0.02550  1.0 1.0
   43    38   -40    44  -0.02600 -1.0 2.0
   43    38   -40    44   1.20400  1.0 3.0
   43    40    41    42   0.23400  1.0 3.0
   43    40    41    48   0.02550  1.0 1.0
   43    40    41    48  -0.02600 -1.0 2.0
   43    40    41    48   1.20400  1.0 3.0
   43    40   -41    50   0.02550  1.0 1.0
   43    40   -41    50  -0.02600 -1.0 2.0
   43    40   -41    50   1.20400  1.0 3.0
   43    40    44    45   0.23400  1.0 3.0
   43    40    44    46   0.23400  1.0 3.0
   43    40    44    47   0.23400  1.0 3.0
   44    40    41    42   0.15000  1.0 3.0
   44    40    41    48   0.56750  1.0 1.0
   44    40    41    48  -0.07550 -1.0 2.0
   44    40    41    48   0.20000  1.0 3.0
   44    40    41    50   0.56750  1.0 1.0
   44    40    41    50  -0.07550 -1.0 2.0
   44    40    41    50   0.20000  1.0 3.0
   44    40   -43    38   0.06250  1.0 1.0
   44    40   -43    38  -0.01100 -1.0 2.0
   44    40   -43    38   0.28050  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
   52    58    54    60   1.10000 -1.0 2.0
   54    66    58    59  10.50000 -1.0 2.0
   61    62    60    54   1.10000 -1.0 2.0
END
