* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    133    215     397
    1     0 S   NP   _N1_     1    29.31615    91.35787   -22.72483
    2     1 S   H    _HN1     2     1.02971   102.76968    22.23044
    3     1 S   H    _H1_     3     1.02845    14.01902   131.42793
    4     1 S   H    _H2_     4     1.02783    97.23163   -88.50977
    5     1 S   CT   _CA1     5     1.50151   124.21512   148.20689
    6     5 S   HC   _HA1     6     1.09564   105.29841    54.85843
    7     5 S   CO3  _C1_     7     1.53797   112.35255   -65.48973
    8     7 S   O2Z  _O11     8     1.26346   114.99624   -43.00786
    9     7 S   O2Z  _O12     9     1.26223   114.93427   136.22848
   10     5 S   CT   _CB1    10     1.53033   107.38842   172.87099
   11    10 S   HC   HB11    11     1.09816   109.43725   -50.17953
   12    10 S   HC   HB12    12     1.09739   110.22244    66.30302
   13    10 S   CT   _CG1    13     1.53040   112.90029  -171.52940
   14    13 S   HC   HG11    14     1.09583   110.32462   -60.88228
   15    13 S   HC   HG12    15     1.09607   110.25318    58.50363
   16    13 S   C    _CD1    16     1.51755   111.90391   178.74041
   17    16 S   O    _OE1    17     1.22790   123.02972   -11.33220
   18    16 S   N    _N2_    18     1.38628   111.90755   168.79918
   19    18 S   H    _HN2    19     1.01576   119.21199     3.35234
   20    18 S   CT1  _CA2    20     1.46118   123.17685  -176.57434
   21    20 S   HC   _HA2    21     1.09562   109.07388    -2.46625
   22    20 S   C    _C2_    22     1.53466   109.31102  -117.73179
   23    22 S   O    _O2_    23     1.23054   121.96196  -149.18757
   24    20 S   CT   _CB2    32     1.53625   111.77513   119.49159
   25    24 S   HC   HB21    33     1.09660   109.45591    67.18465
   26    24 S   HC   HB22    34     1.09576   110.83364  -175.60573
   27    22 S   N    _N3_    24     1.38419   113.66343    38.33730
   28    27 S   H    _HN3    25     1.01494   118.95324    -0.96022
   29    24 S   S    _SG2    35     1.82827   114.77619   -52.16925
   30    27 S   CT   _CA3    26     1.45464   123.61298   174.84026
   31    30 S   HC   HA31    27     1.09509   109.43960    20.48944
   32    30 S   HC   HA32    28     1.09499   107.07995   137.55165
   33    29 S   CT   _C18    36     1.82176   100.12172   -69.35497
   34    33 S   HC   _H3_    37     1.09425   107.94059   -73.92273
   35    33 S   HC   _H4_    38     1.09230   110.64793    42.48489
   36    30 S   CO3  _C3_    29     1.52921   112.95239  -103.10631
   37    36 S   O2Z  _O31    30     1.26413   115.35483   -44.99545
   38    36 S   O2Z  _O32    31     1.26343   115.00877   135.87484
   39    33 S   CM   _C4_    39     1.51446   110.18934   163.08399
   40    39 S   CMA  _C5_    40     1.36208   124.53855   106.02540
   41    40 S   OM   _O16    41     1.26529   126.46760    -0.80527
   42    40 S   OS   _O18    42     1.41627   112.88657   176.02049
   43    42 S   CT   _C12    43     1.43453   111.99231    56.01120
   44    43 S   HC   _H29    44     1.09581   106.56920   177.17478
   45    43 S   HC   _H30    45     1.09519   106.36334    64.83921
   46    43 S   CT   _C17    46     1.55873   113.20019   -60.41653
   47    46 S   CT   _C11    47     1.55722   110.39705  -113.87864
   48    47 S   HC   _H27    48     1.09837   111.03290   -47.48697
   49    47 S   HC   _H28    49     1.09928   111.01899  -163.56098
   50    46 S   CM   _C10    67     1.53758   112.37527   130.02803
   51    50 S   HC   _H26    68     1.09032   115.61769  -159.57778
   52    47 S   CT   _C15    50     1.51572   111.53927    75.17725
   53    52 S   HC   _H33    51     1.09971   109.52600   -61.59656
   54    50 S   CM   _C9_    69     1.33943   128.63285    23.65147
   55    54 S   HC   _H24    70     1.08555   119.85535   178.48871
   56    54 S   HC   _H25    71     1.08260   123.08420     0.00000
   57    52 S   CT   _C14    52     1.50966   109.38840    62.25846
   58    57 S   HC   _H32    53     1.10016   111.25051    52.41297
   59    57 S   CM   _C6_    54     1.48718    97.60742   162.94525
   60    57 S   CT   _C16    61     1.52031   109.54776   -68.54886
   61    60 S   HC   _H34    62     1.09611   109.85533   -65.54420
   62    59 S   CO4  _C7_    55     1.48790   106.30729   -32.71437
   63    62 S   O    _O17    56     1.21695   127.20498  -164.52738
   64    59 S   CM   _C8_    58     1.33405   131.06162   145.23678
   65    64 S   HC   _H22    59     1.08450   121.15895     1.18399
   66    64 S   HC   _H23    60     1.08513   121.51391  -178.79066
   67    39 S   CT   _C13    63     1.53074   116.51223   -78.00784
   68    67 S   HC   _H31    64     1.09696   108.30384    18.97508
   69    60 S   OH   _O20    65     1.43104   108.68956   178.08419
   70    69 S   HO   _H37    66     0.97433   108.40796   -66.60517
   71    52 S   OS   _O19    57     1.42958   113.61758   178.60619
  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   6   5   4   3
  10   4   3   2   1   1  13   9   3   7  13   5   4  17  15   7
   6   8   4  12   6   3   1   1  14   8  10   8   4   5   2   3
   1   1   3   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    67  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    60    67    68  
   35    39    40    67  
   39    40    67  
   37    38  
   38  
    0  
   40    41    42    43    46    47    57    60    61    67    68    69    50  
   41    42    43    44    45    46    60    67    68  
   42    43    67  
   43    44    45    46    47    67    50  
   44    45    46    47    48    49    52    60    67    68    50    51    54  
   45    46    47    67    50  
   46    47    67    50  
   47    48    49    52    53    57    71    60    61    67    68    69    50    51    54    55    56  
   48    49    52    53    57    58    59    62    71    60    67    68    50    51    54  
   49    52    53    57    71    67    50  
   52    53    57    71    67    50  
   51    54    55    56    52    60    67    68  
   54    55    56    67  
   53    57    58    59    62    63    71    64    60    61    67    69  
   57    58    59    62    71    60  
   55    56    67  
   56  
    0  
   58    59    62    63    71    64    65    66    60    61    67    68    69    70  
   59    62    71    64    60    61    67    69  
   62    63    71    64    65    66    60    61    67    69  
   61    67    68    69    70    62    64    71  
   67    68    69    70  
   63    71    64    65    66  
   71    64  
   65    66    71  
   66  
    0  
   68    69    70  
   69  
   70  
    0  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    67   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   268.000  1.529
   46    67   268.000  1.529
   46    50   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    57   268.000  1.529
   52    71   320.000  1.410
   57    58   340.000  1.090
   57    59   317.000  1.510
   57    60   268.000  1.529
   59    62   320.000  1.462
   59    64   549.000  1.340
   62    63   570.000  1.229
   62    71   214.000  1.327
   64    65   340.000  1.080
   64    66   340.000  1.080
   60    61   340.000  1.090
   60    67   268.000  1.529
   60    69   320.000  1.410
   67    68   340.000  1.090
   69    70   553.000  0.945
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    67    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    67    46    70.00000  112.02700
   39    67    60    70.00000  112.02700
   39    67    68    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    46    50.00000  109.50000
   43    46    47    58.35000  112.70000
   43    46    67    58.35000  112.70000
   43    46    50    70.00000  112.02700
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    47    48    37.50000  110.70000
   46    47    49    37.50000  110.70000
   46    47    52    58.35000  112.70000
   46    67    60    58.35000  112.70000
   46    67    68    37.50000  110.70000
   46    50    51    35.00000  117.00000
   46    50    54    70.00000  124.00000
   47    52    53    37.50000  110.70000
   47    52    57    58.35000  112.70000
   47    52    71    50.00000  109.50000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    70.00000  112.02700
   52    57    60    58.35000  112.70000
   52    71    62    83.00000  116.90000
   57    52    53    37.50000  110.70000
   57    59    62    65.00000  116.34900
   57    59    64    70.00000  124.00000
   57    60    61    37.50000  110.70000
   57    60    67    58.35000  112.70000
   57    60    69    50.00000  109.50000
   59    57    58    35.00000  109.50000
   59    62    63    80.00000  123.72100
   59    62    71    90.00000  111.29400
   59    64    65    35.00000  120.00000
   59    64    66    35.00000  120.00000
   71    52    53    35.00000  109.50000
   71    52    57    50.00000  109.50000
   71    62    63    83.00000  123.40000
   64    59    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   60    57    58    37.50000  110.70000
   60    57    59    70.00000  112.02700
   60    67    68    37.50000  110.70000
   60    69    70    55.00000  108.50000
   67    39    40    70.00000  124.00000
   67    46    47    58.35000  112.70000
   67    60    61    37.50000  110.70000
   69    60    61    35.00000  109.50000
   69    60    67    50.00000  109.50000
   50    46    47    70.00000  112.02700
   50    46    67    70.00000  112.02700
   50    54    55    35.00000  120.00000
   50    54    56    35.00000  120.00000
   54    50    51    35.00000  120.00000
   56    54    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    67   0.30250  1.0 1.0
   29    33    39    67  -0.14950 -1.0 2.0
   29    33    39    67   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    67    46   0.46850  1.0 1.0
   33    39    67    46   0.08550 -1.0 2.0
   33    39    67    46   0.09800  1.0 3.0
   33    39    67    60   0.46850  1.0 1.0
   33    39    67    60   0.08550 -1.0 2.0
   33    39    67    60   0.09800  1.0 3.0
   33    39    67    68   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    67   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    67   0.34800  1.0 3.0
   39    40    42    43  -2.26850  1.0 1.0
   39    40    42    43   3.39050 -1.0 2.0
   40    39    67    46   0.09850  1.0 1.0
   40    39    67    46   0.15250 -1.0 2.0
   40    39    67    46  -0.50650  1.0 3.0
   40    39    67    60   0.09850  1.0 1.0
   40    39    67    60   0.15250 -1.0 2.0
   40    39    67    60  -0.50650  1.0 3.0
   40    39    67    68   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45   0.08050  1.0 3.0
   40    42   -43    46  -0.46850  1.0 1.0
   40    42   -43    46   0.09300 -1.0 2.0
   40    42   -43    46  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    46    47   0.62750  1.0 1.0
   42    43    46    47  -0.30950 -1.0 2.0
   42    43    46    47   0.27300  1.0 3.0
   42    43    46    67   0.62750  1.0 1.0
   42    43    46    67  -0.30950 -1.0 2.0
   42    43    46    67   0.27300  1.0 3.0
   42    43    46    50   0.61850  1.0 1.0
   42    43    46    50  -0.22750 -1.0 2.0
   42    43    46    50   0.15300  1.0 3.0
   43    46    47    48   0.15000  1.0 3.0
   43    46    47    49   0.15000  1.0 3.0
   43    46    47    52   0.56750  1.0 1.0
   43    46    47    52  -0.07550 -1.0 2.0
   43    46    47    52   0.20000  1.0 3.0
   43    46   -67    39   0.34400  1.0 1.0
   43    46   -67    39   0.09450 -1.0 2.0
   43    46   -67    39   0.11100  1.0 3.0
   43    46    67    60   0.56750  1.0 1.0
   43    46    67    60  -0.07550 -1.0 2.0
   43    46    67    60   0.20000  1.0 3.0
   43    46    67    68   0.15000  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    54   0.09850  1.0 1.0
   43    46    50    54   0.15250 -1.0 2.0
   43    46    50    54  -0.50650  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    67   0.15000  1.0 3.0
   44    43    46    50   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    67   0.15000  1.0 3.0
   45    43    46    50   0.15000  1.0 3.0
   46    47    52    53   0.15000  1.0 3.0
   46    47    52    57   0.56750  1.0 1.0
   46    47    52    57  -0.07550 -1.0 2.0
   46    47    52    57   0.20000  1.0 3.0
   46    47    52    71   0.62750  1.0 1.0
   46    47    52    71  -0.30950 -1.0 2.0
   46    47    52    71   0.27300  1.0 3.0
   46    50    54    55   7.00000 -1.0 2.0
   46    50    54    56   7.00000 -1.0 2.0
   47    46    67    39   0.34400  1.0 1.0
   47    46    67    39   0.09450 -1.0 2.0
   47    46    67    39   0.11100  1.0 3.0
   47    46    67    60   0.56750  1.0 1.0
   47    46    67    60  -0.07550 -1.0 2.0
   47    46    67    60   0.20000  1.0 3.0
   47    46    67    68   0.15000  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    54   0.09850  1.0 1.0
   47    46    50    54   0.15250 -1.0 2.0
   47    46    50    54  -0.50650  1.0 3.0
   47    52    57    58   0.15000  1.0 3.0
   47    52    57    59   0.34400  1.0 1.0
   47    52    57    59   0.09450 -1.0 2.0
   47    52    57    59   0.11100  1.0 3.0
   47    52   -57    60   0.56750  1.0 1.0
   47    52   -57    60  -0.07550 -1.0 2.0
   47    52   -57    60   0.20000  1.0 3.0
   47    52    71    62  -0.25900  1.0 1.0
   47    52    71    62  -0.47000 -1.0 2.0
   47    52    71    62   0.11750  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    57   0.15000  1.0 3.0
   48    47    52    71   0.23400  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    57   0.15000  1.0 3.0
   49    47    52    71   0.23400  1.0 3.0
   52    57   -59    62   0.09700  1.0 1.0
   52    57   -59    62   0.15600 -1.0 2.0
   52    57   -59    62  -0.50800  1.0 3.0
   52    57    59    64   0.09850  1.0 1.0
   52    57    59    64   0.15250 -1.0 2.0
   52    57    59    64  -0.50650  1.0 3.0
   52    57    60    61   0.15000  1.0 3.0
   52    57    60    67   0.56750  1.0 1.0
   52    57    60    67  -0.07550 -1.0 2.0
   52    57    60    67   0.20000  1.0 3.0
   52    57    60    69   0.86500  1.0 1.0
   52    57    60    69  -0.17500 -1.0 2.0
   52    57    60    69   0.20800  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    60   0.15000  1.0 3.0
   53    52    71    62   0.08050  1.0 3.0
   57    52   -71    62  -0.25900  1.0 1.0
   57    52   -71    62  -0.47000 -1.0 2.0
   57    52   -71    62   0.11750  1.0 3.0
   57    59    62    63  -0.64400  1.0 1.0
   57    59    62    63   0.26850 -1.0 2.0
   57    59   -62    71  -0.15000  1.0 1.0
   57    59   -62    71   0.89550 -1.0 2.0
   57    59   -62    71  -0.06900  1.0 3.0
   57    59    64    65   7.00000 -1.0 2.0
   57    59    64    66   7.00000 -1.0 2.0
   57    60    67    39   0.34400  1.0 1.0
   57    60    67    39   0.09450 -1.0 2.0
   57    60    67    39   0.11100  1.0 3.0
   57    60   -67    46   0.56750  1.0 1.0
   57    60   -67    46  -0.07550 -1.0 2.0
   57    60   -67    46   0.20000  1.0 3.0
   57    60    67    68   0.15000  1.0 3.0
   57    60    69    70  -0.11600  1.0 1.0
   57    60    69    70  -0.09450 -1.0 2.0
   57    60    69    70   0.21250  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    59    64   0.00000  1.0 1.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    67   0.15000  1.0 3.0
   58    57    60    69   0.23400  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    67   0.34400  1.0 1.0
   59    57    60    67   0.09450 -1.0 2.0
   59    57    60    67   0.11100  1.0 3.0
   59    57    60    69   1.05650  1.0 1.0
   59    57    60    69   0.15600 -1.0 2.0
   59    57    60    69   0.53150  1.0 3.0
   59    62   -71    52   2.00000 -1.0 2.0
   62    59    64    65   7.00000 -1.0 2.0
   62    59    64    66   7.00000 -1.0 2.0
   63    62    71    52   3.00000 -1.0 2.0
   71    52    57    58   0.23400  1.0 3.0
   71    52   -57    59   0.61850  1.0 1.0
   71    52   -57    59  -0.22750 -1.0 2.0
   71    52   -57    59   0.15300  1.0 3.0
   71    52    57    60   0.62750  1.0 1.0
   71    52    57    60  -0.30950 -1.0 2.0
   71    52    57    60   0.27300  1.0 3.0
   64    59    62    63   1.00000 -1.0 2.0
   64    59    62    71  -0.56150  1.0 1.0
   64    59    62    71   2.19150 -1.0 2.0
   60    57    59    62   0.09700  1.0 1.0
   60    57    59    62   0.15600 -1.0 2.0
   60    57    59    62  -0.50800  1.0 3.0
   60    57    59    64   0.09850  1.0 1.0
   60    57    59    64   0.15250 -1.0 2.0
   60    57    59    64  -0.50650  1.0 3.0
   61    60    67    39   0.15000  1.0 3.0
   61    60    67    46   0.15000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    69    70   0.19450  1.0 3.0
   67    39    40    41   7.00000 -1.0 2.0
   67    39   -40    42   7.00000 -1.0 2.0
   67    46    47    48   0.15000  1.0 3.0
   67    46    47    49   0.15000  1.0 3.0
   67    46   -47    52   0.56750  1.0 1.0
   67    46   -47    52  -0.07550 -1.0 2.0
   67    46   -47    52   0.20000  1.0 3.0
   67    46    50    51   0.00000  1.0 1.0
   67    46    50    54   0.09850  1.0 1.0
   67    46    50    54   0.15250 -1.0 2.0
   67    46    50    54  -0.50650  1.0 3.0
   67    60    69    70  -0.11600  1.0 1.0
   67    60    69    70  -0.09450 -1.0 2.0
   67    60    69    70   0.21250  1.0 3.0
   69    60    67    39   1.05650  1.0 1.0
   69    60    67    39   0.15600 -1.0 2.0
   69    60    67    39   0.53150  1.0 3.0
   69    60    67    46   0.86500  1.0 1.0
   69    60    67    46  -0.17500 -1.0 2.0
   69    60    67    46   0.20800  1.0 3.0
   69    60    67    68   0.23400  1.0 3.0
   50    46    47    48   0.15000  1.0 3.0
   50    46    47    49   0.15000  1.0 3.0
   50    46    47    52   0.34400  1.0 1.0
   50    46    47    52   0.09450 -1.0 2.0
   50    46    47    52   0.11100  1.0 3.0
   50    46    67    39   0.31000  1.0 1.0
   50    46    67    39   0.14700 -1.0 2.0
   50    46    67    39   0.07550  1.0 3.0
   50    46    67    60   0.34400  1.0 1.0
   50    46    67    60   0.09450 -1.0 2.0
   50    46    67    60   0.11100  1.0 3.0
   50    46    67    68   0.15000  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    56   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   33    67    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   57    62    59    64   1.10000 -1.0 2.0
   59    71    62    63  10.50000 -1.0 2.0
   65    66    64    59   1.10000 -1.0 2.0
   46    51    50    54  15.00000 -1.0 2.0
   55    56    54    50  15.00000 -1.0 2.0
END
