* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    120    180     348
    1     0 S   NP   _N1_     1    28.74232    94.43612   -20.94394
    2     1 S   H    _HN1     2     1.02961    91.22031    16.16814
    3     1 S   H    _H1_     3     1.02839    31.86103   137.55249
    4     1 S   H    _H2_     4     1.02782    87.67594   -92.11896
    5     1 S   CT   _CA1     5     1.50121   142.52386   143.13722
    6     5 S   HC   _HA1     6     1.09562   105.27380    56.06659
    7     5 S   CO3  _C1_     7     1.53869   112.34440   -64.32370
    8     7 S   O2Z  _O11     8     1.26372   115.00389   -43.06427
    9     7 S   O2Z  _O12     9     1.26232   115.00195   136.16722
   10     5 S   CT   _CB1    10     1.53118   107.44625   174.19100
   11    10 S   HC   HB11    11     1.09822   109.64320   -48.57902
   12    10 S   HC   HB12    12     1.09822   110.26810    68.05459
   13    10 S   CT   _CG1    13     1.53009   112.60020  -169.57704
   14    13 S   HC   HG11    14     1.09593   110.45534   -59.60408
   15    13 S   HC   HG12    15     1.09636   110.02322    59.61418
   16    13 S   C    _CD1    16     1.51814   112.30668  -179.77706
   17    16 S   O    _OE1    17     1.22710   123.27795    -3.28462
   18    16 S   N    _N2_    18     1.38617   111.57392   176.38540
   19    18 S   H    _HN2    19     1.01579   119.01168     3.13219
   20    18 S   CT1  _CA2    20     1.46287   123.45893  -176.24934
   21    20 S   HC   _HA2    21     1.09722   109.46315    -8.71812
   22    20 S   C    _C2_    22     1.53372   108.52282  -124.64795
   23    22 S   O    _O2_    23     1.23019   122.20051  -145.56962
   24    20 S   CT   _CB2    32     1.53450   111.00577   113.17627
   25    24 S   HC   HB21    33     1.09589   109.48539    56.54527
   26    24 S   HC   HB22    34     1.09499   110.78877   175.32111
   27    22 S   N    _N3_    24     1.38496   113.40360    41.75784
   28    27 S   H    _HN3    25     1.01522   118.91209    -0.60877
   29    24 S   S    _SG2    35     1.82817   111.47162   -64.85452
   30    27 S   CT   _CA3    26     1.45457   123.49933   175.20637
   31    30 S   HC   HA31    27     1.09519   109.31244    22.97491
   32    30 S   HC   HA32    28     1.09498   107.10466   139.97985
   33    29 S   CT   _C10    36     1.83960    99.77839   150.51322
   34    33 S   HC   _H5_    37     1.09753   105.59392   -52.06389
   35    30 S   CO3  _C3_    29     1.52917   113.05339  -100.56070
   36    35 S   O2Z  _O31    30     1.26406   115.37087   -45.44786
   37    35 S   O2Z  _O32    31     1.26350   115.00645   135.47811
   38    33 S   CT   _C11    38     1.54344   113.43182    66.33933
   39    38 S   HC   _H6_    39     1.09628   109.16473   -70.42453
   40    38 S   CM   _C12    40     1.50416   111.74408   169.37297
   41    40 S   HC   _H14    41     1.08679   117.32840   165.58418
   42    38 S   OH   _O33    64     1.42520   111.72457    48.40365
   43    42 S   HO   _H16    65     0.97209   107.92913  -179.74512
   44    40 S   CM   _C13    42     1.34183   123.76391   -14.21875
   45    44 S   HC   _H15    43     1.08789   118.54583   179.86012
   46    44 S   CT   _C8_    44     1.51038   124.08606    -2.15921
   47    46 S   HC   _H3_    45     1.09655   107.18366  -132.38040
   48    33 S   CT   _C9_    46     1.54442   110.10943  -167.23508
   49    48 S   HC   _H4_    47     1.09522   110.00144    51.27898
   50    46 S   S    _S1_    50     1.84186   106.95558   112.14894
   51    48 S   OH   _O34    48     1.43270   110.45862   -65.39874
   52    51 S   HO   _H17    49     0.97221   107.71035   174.50467
   53    50 S   CT   _C7_    51     1.82231    99.97334   164.75020
   54    53 S   HC   _H12    52     1.09313   109.31963    66.40561
   55    53 S   HC   _H13    53     1.09489   109.22269   -51.95759
   56    53 S   CT   _C6_    54     1.52880   109.82365  -172.82701
   57    56 S   HC   _H10    55     1.09752   110.38512   -58.25057
   58    56 S   HC   _H11    56     1.09844   109.67809    58.89360
   59    56 S   C3T  _C5_    57     1.50629   111.62949  -179.20230
   60    59 S   NN   _N4_    58     1.42515   117.87492   -74.90925
   61    59 S   CT   _C4_    60     1.49536   117.90369    76.48700
   62    61 S   HC   _H7_    61     1.09574   111.93208   175.11749
   63    61 S   HC   _H8_    62     1.09470   110.42279    55.15605
   64    61 S   HC   _H9_    63     1.09427   110.69526   -64.80867
   65    59 S   NN   _N5_    59     1.42581   117.47459  -133.87908
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  11   6   9   4   3   1   8   4  10   5   5
   3   8   1   1   9   5   4   9   5   4   6   5   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    46    47    48    49    51    52    50    42    43  
   38    39    40    46    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    48    49    51    42    43  
   40    41    44    48    42    43  
   41    44    45    46    47    48    50    42    43  
   44    45    46    42  
   43    44    48  
    0  
   45    46    47    48    49    51    50    53  
   46    47    48    50  
   47    48    49    51    52    50    53    54    55    56  
   48    49    51    50    53  
   49    51    52    50    53  
   51    52    50  
   53    54    55    56    57    58    59    51  
   52  
    0  
   54    55    56    57    58    59    60    65    61  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    65    61    62    63    64  
   58    59    60    65    61  
   59    60    65    61  
   60    65    61    62    63    64  
   65    61    62    63    64  
   62    63    64    65  
   63    64    65  
   64    65  
   65  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.047500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.245000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.2500   0.1700  -0.122500   1.8375   1.6250   0.005000000   0.000000000
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.2500   0.1700  -0.122500   1.8375   1.6250   0.005000000   0.000000000
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    48   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    42   320.000  1.410
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   222.000  1.810
   48    49   340.000  1.090
   48    51   320.000  1.410
   51    52   553.000  0.945
   50    53   222.000  1.810
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   275.000  1.510
   59    60   255.000  1.500
   59    65   255.000  1.500
   59    61   275.000  1.510
   60    65   470.000  1.265
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   42    43   553.000  0.945
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    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    42    50.00000  109.50000
   33    48    46    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    51    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    35.00000  117.00000
   38    40    44    70.00000  124.00000
   38    42    43    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  120.00000
   40    44    46    70.00000  124.00000
   44    40    41    35.00000  120.00000
   44    46    47    35.00000  109.50000
   44    46    48    70.00000  112.02700
   44    46    50    75.00000  112.20000
   46    44    45    35.00000  117.00000
   46    48    49    37.50000  110.70000
   46    48    51    50.00000  109.50000
   46    50    53    62.00000   98.90000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    51    52    55.00000  108.50000
   51    48    49    35.00000  109.50000
   50    46    47    35.00000  109.50000
   50    46    48    75.00000  111.63000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    75.00000  111.63000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    70.00000  112.37300
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    85.00000  105.04000
   56    59    65    85.00000  105.04000
   56    59    61    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    45.00000  109.38400
   59    56    58    45.00000  109.38400
   59    60    65    10.00000   60.00000
   59    65    60    10.00000   60.00000
   59    61    62    45.00000  109.38400
   59    61    63    45.00000  109.38400
   59    61    64    45.00000  109.38400
   65    59    60    10.00000   60.00000
   61    59    60    85.00000  105.04000
   61    59    65    85.00000  105.04000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  110.39200
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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    46   0.44750  1.0 1.0
   29    33    48    46  -0.17800 -1.0 2.0
   29    33    48    46   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.56750  1.0 1.0
   29    33    48    51  -0.07550 -1.0 2.0
   29    33    48    51   0.20000  1.0 3.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    44   0.09850  1.0 1.0
   33    38    40    44   0.15250 -1.0 2.0
   33    38    40    44  -0.50650  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    51    52  -0.11600  1.0 1.0
   33    48    51    52  -0.09450 -1.0 2.0
   33    48    51    52   0.21250  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    42   0.23400  1.0 3.0
   34    33    48    46   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.23400  1.0 3.0
   38    33    48    46   0.56750  1.0 1.0
   38    33    48    46  -0.07550 -1.0 2.0
   38    33    48    46   0.20000  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51   0.86500  1.0 1.0
   38    33    48    51  -0.17500 -1.0 2.0
   38    33    48    51   0.20800  1.0 3.0
   38    40    44    45   7.00000 -1.0 2.0
   38    40   -44    46   7.00000 -1.0 2.0
   39    38    40    41   0.33100  1.0 3.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.07800  1.0 1.0
   40    38    42    43  -0.21500 -1.0 2.0
   40    38    42    43  -0.03150  1.0 3.0
   40    44    46    47   0.00000  1.0 1.0
   40    44    46    48   0.09850  1.0 1.0
   40    44    46    48   0.15250 -1.0 2.0
   40    44    46    48  -0.50650  1.0 3.0
   40    44    46    50   0.42700  1.0 1.0
   40    44    46    50  -0.70350 -1.0 2.0
   40    44    46    50  -0.43150  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    46   7.00000 -1.0 2.0
   44    46   -48    33   0.34400  1.0 1.0
   44    46   -48    33   0.09450 -1.0 2.0
   44    46   -48    33   0.11100  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    51   1.05650  1.0 1.0
   44    46    48    51   0.15600 -1.0 2.0
   44    46    48    51   0.53150  1.0 3.0
   44    46    50    53  -0.62250  1.0 1.0
   44    46    50    53  -0.38450 -1.0 2.0
   44    46    50    53   0.81900  1.0 3.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    48   0.00000  1.0 1.0
   45    44    46    50   0.00000  1.0 1.0
   46    48    51    52  -0.11600  1.0 1.0
   46    48    51    52  -0.09450 -1.0 2.0
   46    48    51    52   0.21250  1.0 3.0
   46    50    53    54   0.32350  1.0 3.0
   46    50    53    55   0.32350  1.0 3.0
   46    50    53    56   0.01700  1.0 1.0
   46    50    53    56  -0.23550 -1.0 2.0
   46    50    53    56   0.21350  1.0 3.0
   47    46    48    33   0.15000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    51   0.23400  1.0 3.0
   47    46    50    53   0.32350  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   0.34400  1.0 1.0
   48    33   -38    40   0.09450 -1.0 2.0
   48    33   -38    40   0.11100  1.0 3.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    46    50    53   0.01700  1.0 1.0
   48    46    50    53  -0.23550 -1.0 2.0
   48    46    50    53   0.21350  1.0 3.0
   49    48    51    52   0.19450  1.0 3.0
   50    46    48    33   0.44750  1.0 1.0
   50    46    48    33  -0.17800 -1.0 2.0
   50    46    48    33   0.20200  1.0 3.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    51   0.56750  1.0 1.0
   50    46    48    51  -0.07550 -1.0 2.0
   50    46    48    51   0.20000  1.0 3.0
   50    53    56    57   0.15000  1.0 3.0
   50    53    56    58   0.15000  1.0 3.0
   50    53    56    59   0.44750  1.0 1.0
   50    53    56    59  -0.17800 -1.0 2.0
   50    53    56    59   0.20200  1.0 3.0
   53    56    59    60   0.56750  1.0 1.0
   53    56    59    60  -0.07550 -1.0 2.0
   53    56    59    60   0.20000  1.0 3.0
   53    56    59    65   0.56750  1.0 1.0
   53    56    59    65  -0.07550 -1.0 2.0
   53    56    59    65   0.20000  1.0 3.0
   53    56    59    61   0.56750  1.0 1.0
   53    56    59    61  -0.07550 -1.0 2.0
   53    56    59    61   0.20000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59   -60    65   0.00000  1.0 1.0
   56    59   -65    60   0.00000  1.0 1.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    63   0.15000  1.0 3.0
   56    59    61    64   0.15000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    65   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    65   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   65    59    61    62   0.15000  1.0 3.0
   65    59    61    63   0.15000  1.0 3.0
   65    59    61    64   0.15000  1.0 3.0
   61    59   -60    65   0.00000  1.0 1.0
   61    59   -65    60   0.00000  1.0 1.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    44   0.67800  1.0 1.0
   42    38    40    44   0.47050 -1.0 2.0
   42    38    40    44  -0.62500  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    41    40    44   1.10000 -1.0 2.0
   46    45    44    40   1.10000 -1.0 2.0
END
