* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    119    186     343
    1     0 S   NP   _N1_     1    28.54970    94.56359   -23.34193
    2     1 S   H    _HN1     2     1.02779   103.21059   -77.88798
    3     1 S   H    _H1_     3     1.02960    84.21947    29.62260
    4     1 S   H    _H2_     4     1.02838    26.72863   178.48936
    5     1 S   CT   _CA1     5     1.50115   133.70807   142.44764
    6     5 S   HC   _HA1     6     1.09575   105.23700    75.58032
    7     5 S   CO3  _C1_     7     1.53780   112.38411   -44.64671
    8     7 S   O2Z  _O11     8     1.26359   115.00181   -44.19081
    9     7 S   O2Z  _O12     9     1.26237   114.91347   134.99962
   10     5 S   CT   _CB1    10     1.53095   107.43846  -166.50781
   11    10 S   HC   HB11    11     1.09825   109.33231   -50.87985
   12    10 S   HC   HB12    12     1.09820   110.41640    65.66563
   13    10 S   CT   _CG1    13     1.53016   112.67667  -171.98313
   14    13 S   HC   HG11    14     1.09597   110.44924   -63.78000
   15    13 S   HC   HG12    15     1.09652   109.98251    55.44887
   16    13 S   C    _CD1    16     1.51815   112.30901   175.80502
   17    16 S   O    _OE1    17     1.22722   123.25442    -1.80970
   18    16 S   N    _N2_    18     1.38643   111.64448   178.35765
   19    18 S   H    _HN2    19     1.01583   119.02781     1.29800
   20    18 S   CT1  _CA2    20     1.46198   123.35890   179.92087
   21    20 S   HC   _HA2    21     1.09733   109.38779    -6.96720
   22    20 S   C    _C2_    22     1.53486   108.47012  -122.59184
   23    22 S   O    _O2_    23     1.23028   122.15105  -146.24061
   24    20 S   CT   _CB2    32     1.53405   111.54705   115.04008
   25    24 S   HC   HB21    33     1.09497   109.90077    56.70432
   26    24 S   HC   HB22    34     1.09524   110.14215   175.50020
   27    22 S   N    _N3_    24     1.38478   113.46945    41.08904
   28    27 S   H    _HN3    25     1.01519   118.92351    -0.92493
   29    24 S   S    _SG2    35     1.82817   111.74763   -64.87639
   30    27 S   CT   _CA3    26     1.45476   123.66833   175.33612
   31    30 S   HC   HA31    27     1.09510   109.52520    18.24473
   32    30 S   HC   HA32    28     1.09511   107.04424   135.27982
   33    29 S   CT   _C6_    36     1.85436    99.57393   177.44595
   34    33 S   HC   _H4_    37     1.09663   105.11218    39.55256
   35    30 S   CO3  _C3_    29     1.52915   112.93126  -105.44270
   36    35 S   O2Z  _O31    30     1.26425   115.33476   -46.08593
   37    35 S   O2Z  _O32    31     1.26347   115.02696   134.79812
   38    33 S   CT   _C5_    38     1.54687   110.38350   -79.66980
   39    38 S   HC   _H3_    39     1.09705   110.09746    34.22508
   40    38 S   CO4  _C10    40     1.52932   114.42089   -84.75772
   41    40 S   O    _O33    41     1.22686   122.62103  -177.52006
   42    38 S   CT   _C4_    59     1.53239   110.50202   151.69009
   43    42 S   HC   _H8_    60     1.09387   111.93953    61.75744
   44    42 S   HC   _H9_    61     1.09520   110.68235   -58.84661
   45    42 S   HC   _H10    62     1.09550   111.07116  -178.25415
   46    40 S   C3T  _C9_    42     1.48595   118.14088     3.76863
   47    46 S   HC   _H7_    43     1.08703   112.89651   114.70471
   48    46 S   C3T  _C8_    44     1.50902   119.45359   -27.38191
   49    48 S   HC   _H6_    45     1.08630   116.04338   139.63172
   50    33 S   CT   _C7_    46     1.54407   111.30532   156.07811
   51    50 S   HC   _H5_    47     1.09397   108.86685  -175.13607
   52    46 S   C3T  _C11    50     1.51808   121.70787   -98.85098
   53    50 S   OH   _O34    48     1.42742   110.12667   -59.81489
   54    53 S   HO   _H17    49     0.97258   107.35255  -178.66793
   55    52 S   CT   _C12    51     1.51045   117.11127  -145.34920
   56    55 S   HC   _H11    52     1.09500   110.29526  -154.58281
   57    55 S   HC   _H12    53     1.09500   110.34006    85.65632
   58    55 S   HC   _H13    54     1.09549   112.10890   -34.45483
   59    52 S   CT   _C13    55     1.50691   120.23811    -1.85899
   60    59 S   HC   _H14    56     1.09511   110.03946   149.60444
   61    59 S   HC   _H15    57     1.09157   113.59206    28.72434
   62    59 S   HC   _H16    58     1.09542   110.14653   -91.35432
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  14   8  13   5   5   2   1   1  15   6  14
   6   6   3   9   1   1   7   3   2   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    50    51    53    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    48    49    50    51    53    54    52    42    43    44    45  
   38    39    40    48    50    51    53    42  
   36    37  
   37  
    0  
   39    40    41    46    47    48    50    51    53    52    42    43    44    45  
   40    41    46    50    42    43    44    45  
   41    46    47    48    49    50    52    55    59    42    43    44    45  
   46    47    48    52    42  
   43    44    45    46    50  
   44    45  
   45  
    0  
   47    48    49    50    51    53    52    55    56    57    58    59    60    61    62  
   48    49    50    52    55    59  
   49    50    51    53    54    52    55    56    57    58    59    60    61    62  
   50    51    53    52    55    59  
   51    53    54    52    55    59  
   53    54    52  
   55    56    57    58    59    60    61    62    53  
   54  
    0  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    50   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   290.000  1.496
   46    47   340.000  1.088
   46    48   260.000  1.509
   46    52   260.000  1.509
   48    49   340.000  1.088
   48    50   275.000  1.510
   48    52   260.000  1.509
   50    51   340.000  1.090
   50    53   320.000  1.410
   53    54   553.000  0.945
   52    55   275.000  1.510
   52    59   275.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    50    48    70.00000  112.37300
   33    50    51    37.50000  110.70000
   33    50    53    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    46    65.00000  117.32000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    40.00000  116.18000
   40    46    48    65.00000  117.18000
   40    46    52    65.00000  117.18000
   46    40    41    75.00000  121.36600
   46    48    49    37.50000  117.20000
   46    48    50    60.00000  120.94000
   46    48    52    10.00000   60.00500
   46    52    48    10.00000   60.00500
   46    52    55    60.00000  120.94000
   46    52    59    60.00000  120.94000
   48    46    47    37.50000  117.20000
   48    50    51    45.00000  109.38400
   48    50    53    50.00000  109.50000
   48    52    55    60.00000  120.94000
   48    52    59    60.00000  120.94000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    48    49    40.00000  115.04500
   50    53    54    55.00000  108.50000
   53    50    51    35.00000  109.50000
   52    46    47    37.50000  117.20000
   52    46    48    10.00000   60.00500
   52    48    49    37.50000  117.20000
   52    48    50    60.00000  120.94000
   52    55    56    45.00000  109.38400
   52    55    57    45.00000  109.38400
   52    55    58    45.00000  109.38400
   52    59    60    45.00000  109.38400
   52    59    61    45.00000  109.38400
   52    59    62    45.00000  109.38400
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    52    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    53   0.56750  1.0 1.0
   29    33    50    53  -0.07550 -1.0 2.0
   29    33    50    53   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    46   0.60050  1.0 1.0
   33    38    40    46   0.05600 -1.0 2.0
   33    38    40    46   0.26150  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    45   0.15000  1.0 3.0
   33    50    53    54  -0.11600  1.0 1.0
   33    50    53    54  -0.09450 -1.0 2.0
   33    50    53    54   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    50    48   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    53   0.23400  1.0 3.0
   38    33    50    48   0.47050  1.0 1.0
   38    33    50    48   0.03900 -1.0 2.0
   38    33    50    48   0.20100  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    53   0.86500  1.0 1.0
   38    33    50    53  -0.17500 -1.0 2.0
   38    33    50    53   0.20800  1.0 3.0
   38    40    46    47   0.00000  1.0 1.0
   38    40   -46    48   0.60050  1.0 1.0
   38    40   -46    48   0.05600 -1.0 2.0
   38    40   -46    48   0.26150  1.0 3.0
   38    40    46    52   0.60050  1.0 1.0
   38    40    46    52   0.05600 -1.0 2.0
   38    40    46    52   0.26150  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    46   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    45   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    45  -0.11250  1.0 3.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    50  -0.95700  1.0 1.0
   40    46    48    50  -0.18200 -1.0 2.0
   40    46    48    50   0.29450  1.0 3.0
   40    46   -48    52  -0.95700  1.0 1.0
   40    46   -48    52  -0.18200 -1.0 2.0
   40    46   -48    52   0.29450  1.0 3.0
   40    46   -52    48  -0.95700  1.0 1.0
   40    46   -52    48  -0.18200 -1.0 2.0
   40    46   -52    48   0.29450  1.0 3.0
   40    46    52    55  -0.95700  1.0 1.0
   40    46    52    55  -0.18200 -1.0 2.0
   40    46    52    55   0.29450  1.0 3.0
   40    46    52    59  -0.95700  1.0 1.0
   40    46    52    59  -0.18200 -1.0 2.0
   40    46    52    59   0.29450  1.0 3.0
   41    40    46    47   0.50000  1.0 3.0
   41    40    46    48   0.30150 -1.0 2.0
   41    40    46    52   0.30150 -1.0 2.0
   46    48   -50    33   0.07850  1.0 1.0
   46    48   -50    33  -0.03950 -1.0 2.0
   46    48   -50    33   0.67350  1.0 3.0
   46    48    50    51   0.15000  1.0 3.0
   46    48    50    53   0.86500  1.0 1.0
   46    48    50    53  -0.17500 -1.0 2.0
   46    48    50    53   0.20800  1.0 3.0
   46    48   -52    55   0.07850  1.0 1.0
   46    48   -52    55  -0.03950 -1.0 2.0
   46    48   -52    55   0.67350  1.0 3.0
   46    48   -52    59   0.07850  1.0 1.0
   46    48   -52    59  -0.03950 -1.0 2.0
   46    48   -52    59   0.67350  1.0 3.0
   46    52    55    56   0.15000  1.0 3.0
   46    52    55    57   0.15000  1.0 3.0
   46    52    55    58   0.15000  1.0 3.0
   46    52    59    60   0.15000  1.0 3.0
   46    52    59    61   0.15000  1.0 3.0
   46    52    59    62   0.15000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46   -48    52   0.15000  1.0 3.0
   47    46   -52    48   0.15000  1.0 3.0
   47    46    52    55   0.15000  1.0 3.0
   47    46    52    59   0.15000  1.0 3.0
   48    46   -52    55   0.07850  1.0 1.0
   48    46   -52    55  -0.03950 -1.0 2.0
   48    46   -52    55   0.67350  1.0 3.0
   48    46   -52    59   0.07850  1.0 1.0
   48    46   -52    59  -0.03950 -1.0 2.0
   48    46   -52    59   0.67350  1.0 3.0
   48    50    53    54  -0.11600  1.0 1.0
   48    50    53    54  -0.09450 -1.0 2.0
   48    50    53    54   0.21250  1.0 3.0
   48    52    55    56   0.15000  1.0 3.0
   48    52    55    57   0.15000  1.0 3.0
   48    52    55    58   0.15000  1.0 3.0
   48    52    59    60   0.15000  1.0 3.0
   48    52    59    61   0.15000  1.0 3.0
   48    52    59    62   0.15000  1.0 3.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53   0.23400  1.0 3.0
   49    48   -52    46   0.15000  1.0 3.0
   49    48    52    55   0.15000  1.0 3.0
   49    48    52    59   0.15000  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40  -0.95700  1.0 1.0
   50    33   -38    40  -0.18200 -1.0 2.0
   50    33   -38    40   0.29450  1.0 3.0
   50    33    38    42   0.56750  1.0 1.0
   50    33    38    42  -0.07550 -1.0 2.0
   50    33    38    42   0.20000  1.0 3.0
   50    48   -52    46   0.07850  1.0 1.0
   50    48   -52    46  -0.03950 -1.0 2.0
   50    48   -52    46   0.67350  1.0 3.0
   50    48    52    55   0.56750  1.0 1.0
   50    48    52    55  -0.07550 -1.0 2.0
   50    48    52    55   0.20000  1.0 3.0
   50    48    52    59   0.56750  1.0 1.0
   50    48    52    59  -0.07550 -1.0 2.0
   50    48    52    59   0.20000  1.0 3.0
   51    50    53    54   0.19450  1.0 3.0
   52    46   -48    49   0.15000  1.0 3.0
   52    46   -48    50   0.07850  1.0 1.0
   52    46   -48    50  -0.03950 -1.0 2.0
   52    46   -48    50   0.67350  1.0 3.0
   52    48    50    33   0.07850  1.0 1.0
   52    48    50    33  -0.03950 -1.0 2.0
   52    48    50    33   0.67350  1.0 3.0
   52    48    50    51   0.15000  1.0 3.0
   52    48    50    53   0.86500  1.0 1.0
   52    48    50    53  -0.17500 -1.0 2.0
   52    48    50    53   0.20800  1.0 3.0
   55    52    59    60   0.15000  1.0 3.0
   55    52    59    61   0.15000  1.0 3.0
   55    52    59    62   0.15000  1.0 3.0
   59    52    55    56   0.15000  1.0 3.0
   59    52    55    57   0.15000  1.0 3.0
   59    52    55    58   0.15000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.60050  1.0 1.0
   42    38    40    46   0.05600 -1.0 2.0
   42    38    40    46   0.26150  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
   38    46    40    41  10.50000 -1.0 2.0
END
