* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    117    173     344
    1     0 S   NP   _N1_     1    28.96070    94.17751   -22.70382
    2     1 S   H    _HN1     2     1.02955    86.77520    19.72787
    3     1 S   H    _H1_     3     1.02841    25.18285   163.75749
    4     1 S   H    _H2_     4     1.02781   101.36614   -88.33477
    5     1 S   CT   _CA1     5     1.50100   133.62785   135.16824
    6     5 S   HC   _HA1     6     1.09574   105.24688    71.76131
    7     5 S   CO3  _C1_     7     1.53783   112.35444   -48.51803
    8     7 S   O2Z  _O11     8     1.26363   114.99356   -45.17874
    9     7 S   O2Z  _O12     9     1.26233   114.91307   134.03916
   10     5 S   CT   _CB1    10     1.53103   107.47251  -170.28546
   11    10 S   HC   HB11    11     1.09827   109.39305   -50.57163
   12    10 S   HC   HB12    12     1.09818   110.42045    66.00271
   13    10 S   CT   _CG1    13     1.53024   112.62089  -171.62225
   14    13 S   HC   HG11    14     1.09592   110.51161   -63.44180
   15    13 S   HC   HG12    15     1.09655   109.92512    55.78475
   16    13 S   C    _CD1    16     1.51805   112.29598   176.22369
   17    16 S   O    _OE1    17     1.22738   123.24172     0.83509
   18    16 S   N    _N2_    18     1.38635   111.67593  -179.28099
   19    18 S   H    _HN2    19     1.01597   118.99896     1.34100
   20    18 S   CT1  _CA2    20     1.46110   123.45638   179.43872
   21    20 S   HC   _HA2    21     1.09584   109.32994    -5.71587
   22    20 S   C    _C2_    22     1.53463   108.67938  -120.69841
   23    22 S   O    _O2_    23     1.23023   122.17309  -146.33894
   24    20 S   CT   _CB2    32     1.53333   111.64248   116.76137
   25    24 S   HC   HB21    33     1.09663   109.61043    60.09611
   26    24 S   HC   HB22    34     1.09546   110.98330   177.20964
   27    22 S   N    _N3_    24     1.38489   113.44575    41.30959
   28    27 S   H    _HN3    25     1.01491   118.98160    -0.87849
   29    24 S   S    _SG2    35     1.83072   114.77299   -59.71892
   30    27 S   CT   _CA3    26     1.45445   123.40772   174.18469
   31    30 S   HC   HA31    27     1.09525   109.15714    25.82679
   32    30 S   HC   HA32    28     1.09488   107.13422   142.90749
   33    29 S   CT   _C9_    36     1.82740   100.34842   -62.50270
   34    33 S   HC   _H6_    37     1.09473   107.93698    68.27121
   35    30 S   CO3  _C3_    29     1.52976   113.23860   -97.51906
   36    35 S   O2Z  _O31    30     1.26399   115.53551   -39.60116
   37    35 S   O2Z  _O32    31     1.26372   114.88400   141.31454
   38    33 S   CT   _C8_    38     1.53293   108.98036  -172.83297
   39    38 S   HC   _H10    39     1.09702   109.00086    60.50663
   40    38 S   HC   _H11    40     1.09588   110.72337   -58.38918
   41    38 S   CT   _C7_    41     1.53056   109.01390  -179.97202
   42    41 S   HC   _H5_    42     1.09839   109.54031    65.87129
   43    41 S   CT   _C6_    43     1.53732   111.24591   -53.31406
   44    43 S   HC   _H4_    44     1.09526   110.02748   -67.98673
   45    41 S   NP   _N4_    54     1.52712   112.74335  -177.71338
   46    45 S   H    _H12    55     1.03030   104.85620   167.51555
   47    43 S   CT   _C5_    45     1.53669   109.81487    51.81095
   48    47 S   HC   _H3_    46     1.09801   110.55350    65.96123
   49    43 S   OH   _O34    52     1.42508   109.62667   173.70904
   50    49 S   HO   _H19    53     0.97303   108.36202   -69.53011
   51    45 S   CT   _C10    56     1.50782   112.61370   -78.39503
   52    51 S   HC   _H13    57     1.09250   108.83355    67.35482
   53    51 S   HC   _H14    58     1.09340   107.98315  -172.29128
   54    51 S   HC   _H15    59     1.09303   108.26973   -53.65374
   55    45 S   CT   _C11    60     1.50600   116.41441    51.32334
   56    55 S   HC   _H16    61     1.09269   109.00098   -70.79740
   57    55 S   HC   _H17    62     1.09097   109.07108    51.00177
   58    55 S   HC   _H18    63     1.09371   107.67166   169.60978
   59    33 S   OS   _O33    47     1.42902   111.26960   -51.88017
   60    47 S   CT   _C4_    48     1.52460   111.68230  -174.21789
   61    60 S   HC   _H7_    49     1.09560   110.94746    60.44152
   62    60 S   HC   _H8_    50     1.09395   111.65113   -61.05269
   63    60 S   HC   _H9_    51     1.09557   110.25539   178.29337
  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   8   5   4   3
  12   6   2   1   1  13   6   5  19   8  14   7  11   8   8   6
   3   1   7   3   2   1   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    47    48    59    60    45  
   38    39    40    41    47    59  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    59    49    45    46    51    55  
   40    41    42    43    59    45  
   41    42    43    59    45  
   42    43    44    47    48    59    60    49    50    45    46    51    52    53    54    55    56    57    58  
   43    44    47    49    45    46    51    55  
   44    47    48    59    60    61    62    63    49    50    45    46    51    55  
   47    48    59    60    49    50    45  
   46    51    52    53    54    55    56    57    58    47    49  
   51    52    53    54    55    56    57    58  
   48    59    60    61    62    63    49    50  
   59    60    61    62    63    49  
   50    59    60  
    0  
   52    53    54    55    56    57    58  
   53    54    55  
   54    55  
   55  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63  
   61    62    63  
   62    63  
   63  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.6450   1.4500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   46   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    59   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   367.000  1.471
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    59   320.000  1.410
   47    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   49    50   553.000  0.945
   45    46   434.000  1.010
   45    51   367.000  1.471
   45    55   367.000  1.471
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    59    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    59    47    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    45    80.00000  111.20000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    49    50.00000  109.50000
   41    45    46    35.00000  109.50000
   41    45    51    75.00000  113.01200
   41    45    55    75.00000  113.01200
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    59    50.00000  109.50000
   43    47    60    58.35000  112.70000
   43    49    50    55.00000  108.50000
   47    43    44    37.50000  110.70000
   47    60    61    37.50000  110.70000
   47    60    62    37.50000  110.70000
   47    60    63    37.50000  110.70000
   59    33    34    35.00000  109.50000
   59    33    38    50.00000  109.50000
   59    47    48    35.00000  109.50000
   60    47    48    37.50000  110.70000
   60    47    59    50.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    47    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    80.00000  111.20000
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   45    51    54    35.00000  109.50000
   45    55    56    35.00000  109.50000
   45    55    57    35.00000  109.50000
   45    55    58    35.00000  109.50000
   51    45    46    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    45    46    35.00000  109.50000
   55    45    51    75.00000  113.01200
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    59   0.13850  1.0 1.0
   24    29    33    59  -1.34450 -1.0 2.0
   24    29    33    59   0.57400  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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    59    47   0.14700  1.0 1.0
   29    33    59    47  -1.16150 -1.0 2.0
   29    33    59    47   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    45   1.36600  1.0 1.0
   33    38    41    45  -0.11450 -1.0 2.0
   33    38    41    45   0.24250  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    41   0.15000  1.0 3.0
   34    33    59    47   0.37050  1.0 3.0
   38    33    59    47   0.06250  1.0 1.0
   38    33    59    47  -0.01100 -1.0 2.0
   38    33    59    47   0.28050  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41   -43    47   0.56750  1.0 1.0
   38    41   -43    47  -0.07550 -1.0 2.0
   38    41   -43    47   0.20000  1.0 3.0
   38    41    43    49   0.86500  1.0 1.0
   38    41    43    49  -0.17500 -1.0 2.0
   38    41    43    49   0.20800  1.0 3.0
   38    41    45    46   0.17350  1.0 3.0
   38    41    45    51   0.47100  1.0 1.0
   38    41    45    55   0.47100  1.0 1.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    45   0.19200  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    45   0.19200  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    59   0.62750  1.0 1.0
   41    43    47    59  -0.30950 -1.0 2.0
   41    43    47    59   0.27300  1.0 3.0
   41    43    47    60   0.56750  1.0 1.0
   41    43    47    60  -0.07550 -1.0 2.0
   41    43    47    60   0.20000  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   41    45    51    52   0.15000  1.0 3.0
   41    45    51    53   0.15000  1.0 3.0
   41    45    51    54   0.15000  1.0 3.0
   41    45    55    56   0.15000  1.0 3.0
   41    45    55    57   0.15000  1.0 3.0
   41    45    55    58   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.13050  1.0 3.0
   42    41    45    51   0.15000  1.0 3.0
   42    41    45    55   0.15000  1.0 3.0
   43    41    45    46   0.17350  1.0 3.0
   43    41    45    51   0.47100  1.0 1.0
   43    41    45    55   0.47100  1.0 1.0
   43    47   -59    33   0.06250  1.0 1.0
   43    47   -59    33  -0.01100 -1.0 2.0
   43    47   -59    33   0.28050  1.0 3.0
   43    47    60    61   0.15000  1.0 3.0
   43    47    60    62   0.15000  1.0 3.0
   43    47    60    63   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    59   0.23400  1.0 3.0
   44    43    47    60   0.15000  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   48    47    59    33   0.37050  1.0 3.0
   48    47    60    61   0.15000  1.0 3.0
   48    47    60    62   0.15000  1.0 3.0
   48    47    60    63   0.15000  1.0 3.0
   59    33    38    39   0.23400  1.0 3.0
   59    33    38    40   0.23400  1.0 3.0
   59    33   -38    41   0.62750  1.0 1.0
   59    33   -38    41  -0.30950 -1.0 2.0
   59    33   -38    41   0.27300  1.0 3.0
   59    47    60    61   0.23400  1.0 3.0
   59    47    60    62   0.23400  1.0 3.0
   59    47    60    63   0.23400  1.0 3.0
   60    47    59    33   0.06250  1.0 1.0
   60    47    59    33  -0.01100 -1.0 2.0
   60    47    59    33   0.28050  1.0 3.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    59   3.69350  1.0 1.0
   49    43    47    59  -1.82950 -1.0 2.0
   49    43    47    60   0.86500  1.0 1.0
   49    43    47    60  -0.17500 -1.0 2.0
   49    43    47    60   0.20800  1.0 3.0
   45    41    43    44   0.19200  1.0 3.0
   45    41    43    47   1.36600  1.0 1.0
   45    41    43    47  -0.11450 -1.0 2.0
   45    41    43    47   0.24250  1.0 3.0
   45    41    43    49   1.69300  1.0 1.0
   45    41    43    49  -0.48450 -1.0 2.0
   46    45    51    52   0.13050  1.0 3.0
   46    45    51    53   0.13050  1.0 3.0
   46    45    51    54   0.13050  1.0 3.0
   46    45    55    56   0.13050  1.0 3.0
   46    45    55    57   0.13050  1.0 3.0
   46    45    55    58   0.13050  1.0 3.0
   51    45    55    56   0.15000  1.0 3.0
   51    45    55    57   0.15000  1.0 3.0
   51    45    55    58   0.15000  1.0 3.0
   55    45    51    52   0.15000  1.0 3.0
   55    45    51    53   0.15000  1.0 3.0
   55    45    51    54   0.15000  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
END
