* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    145    237     427
    1     0 S   NP   _N1_     1    29.36704    95.55579   -18.56966
    2     1 S   H    _HN1     2     1.02781    70.16529   -96.61821
    3     1 S   H    _H1_     3     1.02952    87.02805    14.08417
    4     1 S   H    _H2_     4     1.02832    51.55568   128.73966
    5     1 S   CT   _CA1     5     1.50118   159.40148   162.91994
    6     5 S   HC   _HA1     6     1.09557   105.29087    31.34383
    7     5 S   CO3  _C1_     7     1.53938   112.19530   -89.14016
    8     7 S   O2Z  _O11     8     1.26397   115.02272   -45.20298
    9     7 S   O2Z  _O12     9     1.26221   114.96856   133.80968
   10     5 S   CT   _CB1    10     1.53080   107.43505   149.53495
   11    10 S   HC   HB11    11     1.09821   109.81732   -46.95693
   12    10 S   HC   HB12    12     1.09828   110.21642    69.72213
   13    10 S   CT   _CG1    13     1.53013   112.54032  -167.89836
   14    13 S   HC   HG11    14     1.09506   110.46625   -55.29667
   15    13 S   HC   HG12    15     1.09624   110.11086    63.75069
   16    13 S   C    _CD1    16     1.51801   111.99635  -175.93403
   17    16 S   O    _OE1    17     1.22756   123.14995   -10.93110
   18    16 S   N    _N2_    18     1.38566   111.78468   169.32477
   19    18 S   H    _HN2    19     1.01610   119.17492     2.20380
   20    18 S   CT1  _CA2    20     1.46298   123.39626  -176.84173
   21    20 S   HC   _HA2    21     1.09732   109.33974    -4.07343
   22    20 S   C    _C2_    22     1.53389   109.04425  -119.85764
   23    22 S   O    _O2_    23     1.23056   122.27855  -150.90085
   24    20 S   CT   _CB2    32     1.53590   110.99371   117.59229
   25    24 S   HC   HB21    33     1.08942   108.81391    59.46437
   26    24 S   HC   HB22    34     1.09505   110.33656   177.30049
   27    22 S   N    _N3_    24     1.38355   113.67962    36.80244
   28    27 S   H    _HN3    25     1.01623   119.47369    -3.96630
   29    24 S   S    _SG2    35     1.82934   110.65563   -63.75274
   30    27 S   CT   _CA3    26     1.45276   123.07057   176.84191
   31    30 S   HC   HA31    27     1.09555   107.55516   -62.93649
   32    30 S   HC   HA32    28     1.09561   107.89691    53.43863
   33    29 S   CT   _C14    36     1.91319   103.74968   149.53477
   34    30 S   CO3  _C3_    29     1.52916   114.21133   175.41516
   35    34 S   O2Z  _O31    30     1.26356   116.09842    -0.35388
   36    34 S   O2Z  _O32    31     1.26440   114.39697   179.68721
   37    33 S   CT   _C10    37     1.60186   103.02565   157.47866
   38    37 S   HC   _H29    38     1.10082   108.70549   -26.90475
   39    33 S   CT   _C16    56     1.60661   109.46857   -78.80513
   40    37 S   CT   _C12    39     1.53607   120.19466    96.47466
   41    40 S   HC   _H31    40     1.09631   110.40283    82.81337
   42    39 S   CT   _C18    57     1.53988   115.57688  -175.54781
   43    42 S   HC   _H36    58     1.09371   112.11012   -61.51384
   44    42 S   HC   _H37    59     1.09780   110.24023  -177.61591
   45    42 S   HC   _H38    60     1.08928   113.61614    62.18864
   46    39 S   OH   _O20    61     1.44809   108.92885    68.14738
   47    46 S   HO   _H39    62     0.97602   106.49039    54.26940
   48    37 S   C3T  _C15    63     1.52255   105.59397  -137.15060
   49    40 S   CT   _C9_    41     1.52088   116.57142   -46.09345
   50    49 S   HC   _H28    42     1.09603   111.21855   -37.01009
   51    48 S   C3T  _C13    64     1.48630   109.53624    15.63568
   52    51 S   HC   _H32    65     1.08015   120.75293   142.32821
   53    48 S   CT   _C17    70     1.48842   121.57238   163.34600
   54    53 S   HC   _H33    71     1.09554   111.67363  -167.31637
   55    53 S   HC   _H34    72     1.09406   110.79124    73.12475
   56    53 S   HC   _H35    73     1.09447   110.71818   -47.35706
   57    49 S   CM   _C4_    43     1.49639   100.06519  -149.41724
   58    49 S   CT   _C7_    50     1.52184   112.60747    87.91451
   59    58 S   HC   _H24    51     1.09712   109.49832   166.21328
   60    58 S   HC   _H25    52     1.09714   110.69910    50.30196
   61    33 S   CT   _C11    66     1.61223   106.91564    50.71114
   62    61 S   OM   _O16    67     1.31848   114.49616  -105.64532
   63    61 S   HC   _H30    68     1.10097   106.68156    27.61138
   64    48 S   O3T  _O19    69     1.42918   116.16688   -48.44832
   65    57 S   CO4  _C5_    44     1.47514   108.30238    25.22491
   66    65 S   O    _O17    45     1.21708   127.39658   168.65689
   67    57 S   CM   _C6_    47     1.33629   130.59042  -153.95819
   68    67 S   HC   _H22    48     1.08459   121.47515    -1.05369
   69    67 S   HC   _H23    49     1.08539   121.60699   179.48187
   70    58 S   CT   _C8_    53     1.52109   114.08523   -74.50761
   71    70 S   HC   _H26    54     1.10112   106.72371  -177.07772
   72    70 S   HC   _H27    55     1.09488   108.92575   -66.88110
   73    40 S   OS   _O18    46     1.45215   107.75621  -162.78471
  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  13   5   4   3
  25   2   1   1  24  10  19  17   7  10   4   3   2   6   1  12
  14   8   9   5   5   3   2   1  10   8   4   3   4   2   1   1
   5   2   3   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    61    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    70    39    42    46    48    51    61    62    63  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    49    73    58    70    71    72    39    42    43    44    45    46    47    48    51    52    61    62    63    64    53  
   35    36  
   36  
    0  
   38    40    41    49    50    57    65    73    58    70    39    42    46    48    51    52    61    62    63    64    53    54    55    56  
   40    41    49    73    39    48    51    61    64    53  
   42    43    44    45    46    47    48    51    61    62    63    40    49    58    59    60    70    71    72  
   41    49    50    57    65    66    73    67    58    59    60    70    48    51    61    64    53  
   49    50    57    65    73    58    48  
   43    44    45    46    47    61    58    70    71    72  
   44    45    46    70  
   45    46    70  
   46    70  
   47    61    58    70    71    72  
   70  
   51    52    61    62    63    64    53    54    55    56    49    73  
   50    57    65    66    73    67    68    69    58    59    60    70    71    72  
   57    65    73    67    58    59    60    70  
   52    61    62    63    64    53    54    55    56  
   61    62    63    64    53  
   54    55    56    61    64  
   55    56    64  
   56    64  
   64  
   65    66    73    67    68    69    58    59    60    70  
   59    60    70    71    72    65    67    73  
   60    70    71    72  
   70    71    72  
   62    63    64    70  
   63    64  
   64  
    0  
   66    73    67    68    69  
   73    67  
   68    69    73  
   69  
    0  
   71    72  
   72  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   63   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    39   268.000  1.529
   33    61   268.000  1.529
   37    38   340.000  1.090
   37    40   268.000  1.529
   37    48   275.000  1.510
   40    41   340.000  1.090
   40    49   268.000  1.529
   40    73   320.000  1.410
   49    50   340.000  1.090
   49    57   317.000  1.510
   49    58   268.000  1.529
   57    65   320.000  1.462
   57    67   549.000  1.340
   65    66   570.000  1.229
   65    73   214.000  1.327
   67    68   340.000  1.080
   67    69   340.000  1.080
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    39   268.000  1.529
   39    42   268.000  1.529
   39    46   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   553.000  0.945
   48    51   260.000  1.509
   48    64   335.000  1.432
   48    53   275.000  1.510
   51    52   340.000  1.088
   51    61   275.000  1.510
   51    64   335.000  1.432
   61    62   570.000  1.307
   61    63   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    61    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    40    58.35000  112.70000
   33    37    48    70.00000  112.37300
   33    39    70    58.35000  112.70000
   33    39    42    58.35000  112.70000
   33    39    46    50.00000  109.50000
   33    61    51    70.00000  112.37300
   33    61    62    50.00000  109.50000
   33    61    63    37.50000  110.70000
   37    40    41    37.50000  110.70000
   37    40    49    58.35000  112.70000
   37    40    73    50.00000  109.50000
   37    48    51    60.00000  120.94000
   37    48    64    80.00000  116.47100
   37    48    53    58.35000  112.70000
   40    37    38    37.50000  110.70000
   40    49    50    37.50000  110.70000
   40    49    57    70.00000  112.02700
   40    49    58    58.35000  112.70000
   40    73    65    83.00000  116.90000
   49    40    41    37.50000  110.70000
   49    57    65    65.00000  116.34900
   49    57    67    70.00000  124.00000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    70    58.35000  112.70000
   57    49    50    35.00000  109.50000
   57    65    66    80.00000  123.72100
   57    65    73    90.00000  111.29400
   57    67    68    35.00000  120.00000
   57    67    69    35.00000  120.00000
   73    40    41    35.00000  109.50000
   73    40    49    50.00000  109.50000
   73    65    66    83.00000  123.40000
   67    57    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   58    49    50    37.50000  110.70000
   58    49    57    70.00000  112.02700
   58    70    71    37.50000  110.70000
   58    70    72    37.50000  110.70000
   58    70    39    58.35000  112.70000
   60    58    59    33.00000  107.80000
   70    58    59    37.50000  110.70000
   70    58    60    37.50000  110.70000
   70    39    42    58.35000  112.70000
   70    39    46    50.00000  109.50000
   72    70    71    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    70    71    37.50000  110.70000
   39    70    72    37.50000  110.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   39    46    47    55.00000  108.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    39    42    50.00000  109.50000
   48    37    38    45.00000  109.38400
   48    37    40    70.00000  112.37300
   48    51    52    37.50000  117.20000
   48    51    61    60.00000  120.94000
   48    51    64    15.00000   60.43100
   48    64    51    15.00000   59.14900
   48    53    54    45.00000  109.38400
   48    53    55    45.00000  109.38400
   48    53    56    45.00000  109.38400
   51    61    62    50.00000  109.50000
   51    61    63    45.00000  109.38400
   61    33    37    58.35000  112.70000
   61    33    39    58.35000  112.70000
   61    51    52    40.00000  115.04500
   63    61    62    45.00000  125.66300
   64    48    51    15.00000   60.43100
   64    51    52    50.00000  114.27700
   64    51    61    80.00000  116.47100
   53    48    51    60.00000  120.94000
   53    48    64    80.00000  116.47100
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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    37    38   0.15000  1.0 3.0
   29    33    37    40   0.44750  1.0 1.0
   29    33    37    40  -0.17800 -1.0 2.0
   29    33    37    40   0.20200  1.0 3.0
   29    33    37    48   0.44750  1.0 1.0
   29    33    37    48  -0.17800 -1.0 2.0
   29    33    37    48   0.20200  1.0 3.0
   29    33    39    70   0.44750  1.0 1.0
   29    33    39    70  -0.17800 -1.0 2.0
   29    33    39    70   0.20200  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   29    33    61    51   0.44750  1.0 1.0
   29    33    61    51  -0.17800 -1.0 2.0
   29    33    61    51   0.20200  1.0 3.0
   29    33    61    62   0.56750  1.0 1.0
   29    33    61    62  -0.07550 -1.0 2.0
   29    33    61    62   0.20000  1.0 3.0
   29    33    61    63   0.15000  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    49   0.56750  1.0 1.0
   33    37    40    49  -0.07550 -1.0 2.0
   33    37    40    49   0.20000  1.0 3.0
   33    37    40    73   0.62750  1.0 1.0
   33    37    40    73  -0.30950 -1.0 2.0
   33    37    40    73   0.27300  1.0 3.0
   33    37   -48    51   0.07850  1.0 1.0
   33    37   -48    51  -0.03950 -1.0 2.0
   33    37   -48    51   0.67350  1.0 3.0
   33    37    48    64   0.02550  1.0 1.0
   33    37    48    64  -0.02600 -1.0 2.0
   33    37    48    64   1.20400  1.0 3.0
   33    37    48    53   0.56750  1.0 1.0
   33    37    48    53  -0.07550 -1.0 2.0
   33    37    48    53   0.20000  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45   0.15000  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   37    33    39    70   0.56750  1.0 1.0
   37    33    39    70  -0.07550 -1.0 2.0
   37    33    39    70   0.20000  1.0 3.0
   37    33    39    42   0.56750  1.0 1.0
   37    33    39    42  -0.07550 -1.0 2.0
   37    33    39    42   0.20000  1.0 3.0
   37    33    39    46   0.86500  1.0 1.0
   37    33    39    46  -0.17500 -1.0 2.0
   37    33    39    46   0.20800  1.0 3.0
   37    33   -61    51   0.47050  1.0 1.0
   37    33   -61    51   0.03900 -1.0 2.0
   37    33   -61    51   0.20100  1.0 3.0
   37    33    61    62   0.62750  1.0 1.0
   37    33    61    62  -0.30950 -1.0 2.0
   37    33    61    62   0.27300  1.0 3.0
   37    33    61    63   0.15000  1.0 3.0
   37    40    49    50   0.15000  1.0 3.0
   37    40    49    57   0.34400  1.0 1.0
   37    40    49    57   0.09450 -1.0 2.0
   37    40    49    57   0.11100  1.0 3.0
   37    40    49    58   0.56750  1.0 1.0
   37    40    49    58  -0.07550 -1.0 2.0
   37    40    49    58   0.20000  1.0 3.0
   37    40    73    65  -0.25900  1.0 1.0
   37    40    73    65  -0.47000 -1.0 2.0
   37    40    73    65   0.11750  1.0 3.0
   37    48    51    52   0.15000  1.0 3.0
   37    48   -51    61   0.56750  1.0 1.0
   37    48   -51    61  -0.07550 -1.0 2.0
   37    48   -51    61   0.20000  1.0 3.0
   37    48   -51    64   0.02550  1.0 1.0
   37    48   -51    64  -0.02600 -1.0 2.0
   37    48   -51    64   1.20400  1.0 3.0
   37    48   -64    51   0.06250  1.0 1.0
   37    48   -64    51  -0.01100 -1.0 2.0
   37    48   -64    51   0.28050  1.0 3.0
   37    48    53    54   0.15000  1.0 3.0
   37    48    53    55   0.15000  1.0 3.0
   37    48    53    56   0.15000  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    49   0.15000  1.0 3.0
   38    37    40    73   0.23400  1.0 3.0
   38    37    48    51   0.15000  1.0 3.0
   38    37    48    64   0.23400  1.0 3.0
   38    37    48    53   0.15000  1.0 3.0
   40    37    48    51   0.07850  1.0 1.0
   40    37    48    51  -0.03950 -1.0 2.0
   40    37    48    51   0.67350  1.0 3.0
   40    37    48    64   0.02550  1.0 1.0
   40    37    48    64  -0.02600 -1.0 2.0
   40    37    48    64   1.20400  1.0 3.0
   40    37    48    53   0.56750  1.0 1.0
   40    37    48    53  -0.07550 -1.0 2.0
   40    37    48    53   0.20000  1.0 3.0
   40    49   -57    65   0.09700  1.0 1.0
   40    49   -57    65   0.15600 -1.0 2.0
   40    49   -57    65  -0.50800  1.0 3.0
   40    49    57    67   0.09850  1.0 1.0
   40    49    57    67   0.15250 -1.0 2.0
   40    49    57    67  -0.50650  1.0 3.0
   40    49    58    59   0.15000  1.0 3.0
   40    49    58    60   0.15000  1.0 3.0
   40    49    58    70   0.56750  1.0 1.0
   40    49    58    70  -0.07550 -1.0 2.0
   40    49    58    70   0.20000  1.0 3.0
   41    40    49    50   0.15000  1.0 3.0
   41    40    49    57   0.15000  1.0 3.0
   41    40    49    58   0.15000  1.0 3.0
   41    40    73    65   0.08050  1.0 3.0
   49    40   -73    65  -0.25900  1.0 1.0
   49    40   -73    65  -0.47000 -1.0 2.0
   49    40   -73    65   0.11750  1.0 3.0
   49    57    65    66  -0.64400  1.0 1.0
   49    57    65    66   0.26850 -1.0 2.0
   49    57   -65    73  -0.15000  1.0 1.0
   49    57   -65    73   0.89550 -1.0 2.0
   49    57   -65    73  -0.06900  1.0 3.0
   49    57    67    68   7.00000 -1.0 2.0
   49    57    67    69   7.00000 -1.0 2.0
   49    58    70    71   0.15000  1.0 3.0
   49    58    70    72   0.15000  1.0 3.0
   49    58    70    39   0.56750  1.0 1.0
   49    58    70    39  -0.07550 -1.0 2.0
   49    58    70    39   0.20000  1.0 3.0
   50    49    57    65   0.15000  1.0 3.0
   50    49    57    67   0.00000  1.0 1.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    70   0.15000  1.0 3.0
   57    49    58    59   0.15000  1.0 3.0
   57    49    58    60   0.15000  1.0 3.0
   57    49    58    70   0.34400  1.0 1.0
   57    49    58    70   0.09450 -1.0 2.0
   57    49    58    70   0.11100  1.0 3.0
   57    65   -73    40   2.00000 -1.0 2.0
   65    57    67    68   7.00000 -1.0 2.0
   65    57    67    69   7.00000 -1.0 2.0
   66    65    73    40   3.00000 -1.0 2.0
   73    40    49    50   0.23400  1.0 3.0
   73    40   -49    57   0.61850  1.0 1.0
   73    40   -49    57  -0.22750 -1.0 2.0
   73    40   -49    57   0.15300  1.0 3.0
   73    40    49    58   0.62750  1.0 1.0
   73    40    49    58  -0.30950 -1.0 2.0
   73    40    49    58   0.27300  1.0 3.0
   67    57    65    66   1.00000 -1.0 2.0
   67    57    65    73  -0.56150  1.0 1.0
   67    57    65    73   2.19150 -1.0 2.0
   58    49    57    65   0.09700  1.0 1.0
   58    49    57    65   0.15600 -1.0 2.0
   58    49    57    65  -0.50800  1.0 3.0
   58    49    57    67   0.09850  1.0 1.0
   58    49    57    67   0.15250 -1.0 2.0
   58    49    57    67  -0.50650  1.0 3.0
   58    70    39    33   0.56750  1.0 1.0
   58    70    39    33  -0.07550 -1.0 2.0
   58    70    39    33   0.20000  1.0 3.0
   58    70    39    42   0.56750  1.0 1.0
   58    70    39    42  -0.07550 -1.0 2.0
   58    70    39    42   0.20000  1.0 3.0
   58    70    39    46   0.86500  1.0 1.0
   58    70    39    46  -0.17500 -1.0 2.0
   58    70    39    46   0.20800  1.0 3.0
   59    58    70    71   0.15000  1.0 3.0
   59    58    70    72   0.15000  1.0 3.0
   59    58    70    39   0.15000  1.0 3.0
   60    58    70    71   0.15000  1.0 3.0
   60    58    70    72   0.15000  1.0 3.0
   60    58    70    39   0.15000  1.0 3.0
   70    39    42    43   0.15000  1.0 3.0
   70    39    42    44   0.15000  1.0 3.0
   70    39    42    45   0.15000  1.0 3.0
   70    39    46    47  -0.11600  1.0 1.0
   70    39    46    47  -0.09450 -1.0 2.0
   70    39    46    47   0.21250  1.0 3.0
   71    70    39    33   0.15000  1.0 3.0
   71    70    39    42   0.15000  1.0 3.0
   71    70    39    46   0.23400  1.0 3.0
   72    70    39    33   0.15000  1.0 3.0
   72    70    39    42   0.15000  1.0 3.0
   72    70    39    46   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    40   0.56750  1.0 1.0
   39    33    37    40  -0.07550 -1.0 2.0
   39    33    37    40   0.20000  1.0 3.0
   39    33    37    48   0.47050  1.0 1.0
   39    33    37    48   0.03900 -1.0 2.0
   39    33    37    48   0.20100  1.0 3.0
   39    33    61    51   0.47050  1.0 1.0
   39    33    61    51   0.03900 -1.0 2.0
   39    33    61    51   0.20100  1.0 3.0
   39    33    61    62   0.62750  1.0 1.0
   39    33    61    62  -0.30950 -1.0 2.0
   39    33    61    62   0.27300  1.0 3.0
   39    33    61    63   0.15000  1.0 3.0
   42    39    46    47  -0.11600  1.0 1.0
   42    39    46    47  -0.09450 -1.0 2.0
   42    39    46    47   0.21250  1.0 3.0
   46    39    42    43   0.23400  1.0 3.0
   46    39    42    44   0.23400  1.0 3.0
   46    39    42    45   0.23400  1.0 3.0
   48    37    40    41   0.15000  1.0 3.0
   48    37    40    49   0.47050  1.0 1.0
   48    37    40    49   0.03900 -1.0 2.0
   48    37    40    49   0.20100  1.0 3.0
   48    37    40    73  -0.26800  1.0 1.0
   48    37    40    73   0.69150 -1.0 2.0
   48    37    40    73  -0.48750  1.0 3.0
   48    51   -61    33   0.07850  1.0 1.0
   48    51   -61    33  -0.03950 -1.0 2.0
   48    51   -61    33   0.67350  1.0 3.0
   48    51    61    62  -0.26800  1.0 1.0
   48    51    61    62   0.69150 -1.0 2.0
   48    51    61    62  -0.48750  1.0 3.0
   48    51    61    63   0.15000  1.0 3.0
   51    48    53    54   0.15000  1.0 3.0
   51    48    53    55   0.15000  1.0 3.0
   51    48    53    56   0.15000  1.0 3.0
   52    51    61    33   0.15000  1.0 3.0
   52    51    61    62   0.23400  1.0 3.0
   52    51    61    63   0.15000  1.0 3.0
   52    51   -64    48   0.36800  1.0 3.0
   61    33    37    38   0.15000  1.0 3.0
   61    33    37    40   0.56750  1.0 1.0
   61    33    37    40  -0.07550 -1.0 2.0
   61    33    37    40   0.20000  1.0 3.0
   61    33   -37    48   0.47050  1.0 1.0
   61    33   -37    48   0.03900 -1.0 2.0
   61    33   -37    48   0.20100  1.0 3.0
   61    33    39    70   0.56750  1.0 1.0
   61    33    39    70  -0.07550 -1.0 2.0
   61    33    39    70   0.20000  1.0 3.0
   61    33    39    42   0.56750  1.0 1.0
   61    33    39    42  -0.07550 -1.0 2.0
   61    33    39    42   0.20000  1.0 3.0
   61    33    39    46   0.86500  1.0 1.0
   61    33    39    46  -0.17500 -1.0 2.0
   61    33    39    46   0.20800  1.0 3.0
   61    51   -64    48   0.06250  1.0 1.0
   61    51   -64    48  -0.01100 -1.0 2.0
   61    51   -64    48   0.28050  1.0 3.0
   64    48   -51    52   0.23400  1.0 3.0
   64    48   -51    61   0.02550  1.0 1.0
   64    48   -51    61  -0.02600 -1.0 2.0
   64    48   -51    61   1.20400  1.0 3.0
   64    48    53    54   0.23400  1.0 3.0
   64    48    53    55   0.23400  1.0 3.0
   64    48    53    56   0.23400  1.0 3.0
   64    51   -61    33   0.02550  1.0 1.0
   64    51   -61    33  -0.02600 -1.0 2.0
   64    51   -61    33   1.20400  1.0 3.0
   64    51    61    62   1.11900  1.0 1.0
   64    51    61    62  -1.16350 -1.0 2.0
   64    51    61    62  -0.34150  1.0 3.0
   64    51    61    63   0.23400  1.0 3.0
   53    48    51    52   0.15000  1.0 3.0
   53    48    51    61   0.56750  1.0 1.0
   53    48    51    61  -0.07550 -1.0 2.0
   53    48    51    61   0.20000  1.0 3.0
   53    48   -51    64   0.02550  1.0 1.0
   53    48   -51    64  -0.02600 -1.0 2.0
   53    48   -51    64   1.20400  1.0 3.0
   53    48   -64    51   0.06250  1.0 1.0
   53    48   -64    51  -0.01100 -1.0 2.0
   53    48   -64    51   0.28050  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   49    65    57    67   1.10000 -1.0 2.0
   57    73    65    66  10.50000 -1.0 2.0
   68    69    67    57   1.10000 -1.0 2.0
END
