* LIGAND DATABASE FILE (OPLS2005)
*
001      58    60    115    191     341
    1     0 S   NP   _N1_     1    28.81234    94.14442   -20.89455
    2     1 S   H    _HN1     2     1.02964    94.46138    31.99524
    3     1 S   H    _H1_     3     1.02830    28.85661   149.81002
    4     1 S   H    _H2_     4     1.02770    88.26453   -76.27937
    5     1 S   CT   _CA1     5     1.50137   139.24619   160.65715
    6     5 S   HC   _HA1     6     1.09572   105.23087    53.55077
    7     5 S   CO3  _C1_     7     1.53840   112.37706   -66.61275
    8     7 S   O2Z  _O11     8     1.26355   114.99653   -41.85278
    9     7 S   O2Z  _O12     9     1.26241   114.93705   137.21375
   10     5 S   CT   _CB1    10     1.53087   107.38855   171.47357
   11    10 S   HC   HB11    11     1.09817   109.40205   -50.19184
   12    10 S   HC   HB12    12     1.09818   110.34935    66.36236
   13    10 S   CT   _CG1    13     1.52984   112.68181  -171.33401
   14    13 S   HC   HG11    14     1.09485   110.19904   -61.32360
   15    13 S   HC   HG12    15     1.09628   110.16166    57.75321
   16    13 S   C    _CD1    16     1.51807   112.24579   177.96625
   17    16 S   O    _OE1    17     1.22741   123.14771   -11.10592
   18    16 S   N    _N2_    18     1.38628   111.77950   169.59022
   19    18 S   H    _HN2    19     1.01605   119.00540     0.35773
   20    18 S   CT1  _CA2    20     1.46204   123.38378  -178.29624
   21    20 S   HC   _HA2    21     1.09734   109.24442   -14.72296
   22    20 S   C    _C2_    22     1.53383   108.35706  -130.44877
   23    22 S   O    _O2_    23     1.23015   122.22061  -146.03172
   24    20 S   CT   _CB2    32     1.53524   111.67779   107.28883
   25    24 S   HC   HB21    33     1.09466   110.04312    57.76481
   26    24 S   HC   HB22    34     1.09536   110.20658   176.29884
   27    22 S   N    _N3_    24     1.38501   113.36207    41.30863
   28    27 S   H    _HN3    25     1.01533   118.90315    -0.63458
   29    24 S   S    _SG2    35     1.82669   111.78708   -64.22005
   30    27 S   CT   _CA3    26     1.45448   123.46063   175.15560
   31    30 S   HC   HA31    27     1.09523   109.24708    24.11378
   32    30 S   HC   HA32    28     1.09496   107.11761   141.11602
   33    29 S   CT   _C7_    36     1.82028    99.91204   169.47324
   34    33 S   HC   _H5_    37     1.09983   104.85834    40.45041
   35    30 S   CO3  _C3_    29     1.52924   113.11557   -99.37341
   36    35 S   O2Z  _O31    30     1.26403   115.41037   -44.48410
   37    35 S   O2Z  _O32    31     1.26357   114.98402   136.45747
   38    33 S   CT   _C6_    38     1.54065   117.22482   -76.44665
   39    38 S   HC   _H4_    39     1.09956   106.33839    92.77266
   40    38 S   CT   _C5_    40     1.56548   105.44969  -151.99721
   41    40 S   HC   _H3_    41     1.09849   109.37001  -110.78899
   42    40 S   CT   _C4_    42     1.53009   107.85924     6.18022
   43    42 S   HC   _H7_    43     1.09469   113.13848   136.31766
   44    42 S   HC   _H8_    44     1.09832   107.78773  -106.93260
   45    40 S   CT   _C12    48     1.56425   103.02939   132.61527
   46    45 S   Cl   Cl4_    49     1.75282   113.62059   161.79367
   47    33 S   CT   _C8_    45     1.54509   116.01411   154.64775
   48    47 S   Cl   Cl1_    46     1.78165   116.45938    34.75503
   49    47 S   HC   _H6_    47     1.09580   109.68718   -83.68316
   50    45 S   CM   _C11    50     1.51460   109.26000   -66.10930
   51    50 S   Cl   Cl5_    51     1.69459   124.43256  -113.52631
   52    50 S   CM   _C10    52     1.33956   107.55683    69.29964
   53    52 S   Cl   Cl6_    53     1.69468   127.93867   176.36127
   54    38 S   CT   _C9_    54     1.57269   125.42400   -34.29201
   55    54 S   Cl   Cl7_    55     1.75385   115.04873    80.83085
   56    45 S   CT   _C13    56     1.56187   101.59526    37.27752
   57    56 S   Cl   Cl2_    57     1.80737   114.51427  -176.31799
   58    56 S   Cl   Cl3_    58     1.79650   114.88684    60.78156
  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
  16   8   2   1   1  19   9  17   9  10   5   4  11   7   3   1
   1   8   4   6   3   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    47    48    49    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    48    49    45    52    54    55    56  
   38    39    40    42    47    48    49    54  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    48    49    45    46    50    52    53    54    55    56    57    58  
   40    41    42    47    45    52    54    55    56  
   41    42    43    44    47    48    49    45    46    50    51    52    54    55    56    57    58  
   42    43    44    47    45    46    50    54    56  
   43    44    47    48    49    45    46    50    54    56  
   44    47    48    49    45  
   47    48    49    45  
   46    50    51    52    53    54    55    56    57    58    47  
   50    51    52    54    56    57    58  
   48    49    54  
   49  
    0  
   51    52    53    54    55    56    57    58  
   52    53    54    56  
   53    54    55    56    57    58  
   54    55    56  
   55    56    57    58  
   56    57    58  
   57    58  
   58  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   47   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   49   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   52   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   54   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   56   3.5000   0.0660   0.271600   1.9750   1.7500   0.005000000  -0.741685710
   57   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   58   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
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    47   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    54   268.000  1.529
   40    41   340.000  1.090
   40    42   268.000  1.529
   40    45   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   245.000  1.781
   47    49   340.000  1.090
   45    46   245.000  1.781
   45    50   317.000  1.510
   45    56   268.000  1.529
   50    51   300.000  1.725
   50    52   549.000  1.340
   52    53   300.000  1.725
   52    54   317.000  1.510
   54    55   245.000  1.781
   54    56   268.000  1.529
   56    57   245.000  1.781
   56    58   245.000  1.781
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    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    54    58.35000  112.70000
   33    47    42    58.35000  112.70000
   33    47    48    69.00000  109.80000
   33    47    49    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    58.35000  112.70000
   38    40    45    58.35000  112.70000
   38    54    52    70.00000  112.02700
   38    54    55    69.00000  109.80000
   38    54    56    58.35000  112.70000
   40    38    39    37.50000  110.70000
   40    42    43    37.50000  110.70000
   40    42    44    37.50000  110.70000
   40    42    47    58.35000  112.70000
   40    45    46    69.00000  109.80000
   40    45    50    70.00000  112.02700
   40    45    56    58.35000  112.70000
   42    40    41    37.50000  110.70000
   42    47    48    69.00000  109.80000
   42    47    49    37.50000  110.70000
   44    42    43    33.00000  107.80000
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   49    47    48    51.00000  107.60000
   45    40    41    37.50000  110.70000
   45    40    42    58.35000  112.70000
   45    50    51    75.00000  111.02000
   45    50    52    70.00000  124.00000
   45    56    54    58.35000  112.70000
   45    56    57    69.00000  109.80000
   45    56    58    69.00000  109.80000
   50    45    46    75.00000  111.90500
   50    52    53    75.00000  121.50000
   50    52    54    70.00000  124.00000
   52    50    51    75.00000  121.50000
   52    54    55    75.00000  111.90500
   52    54    56    70.00000  112.02700
   54    38    39    37.50000  110.70000
   54    38    40    58.35000  112.70000
   54    52    53    75.00000  111.02000
   54    56    57    69.00000  109.80000
   54    56    58    69.00000  109.80000
   56    45    46    69.00000  109.80000
   56    45    50    70.00000  112.02700
   56    54    55    69.00000  109.80000
   58    56    57    80.00000  110.42200
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    54   0.44750  1.0 1.0
   29    33    38    54  -0.17800 -1.0 2.0
   29    33    38    54   0.20200  1.0 3.0
   29    33    47    42   0.44750  1.0 1.0
   29    33    47    42  -0.17800 -1.0 2.0
   29    33    47    42   0.20200  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.15000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    42   0.56750  1.0 1.0
   33    38   -40    42  -0.07550 -1.0 2.0
   33    38   -40    42   0.20000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    54    52   0.34400  1.0 1.0
   33    38    54    52   0.09450 -1.0 2.0
   33    38    54    52   0.11100  1.0 3.0
   33    38    54    55   0.35600  1.0 1.0
   33    38    54    55  -0.14650 -1.0 2.0
   33    38    54    55   0.33350  1.0 3.0
   33    38    54    56   0.56750  1.0 1.0
   33    38    54    56  -0.07550 -1.0 2.0
   33    38    54    56   0.20000  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    54   0.15000  1.0 3.0
   34    33    47    42   0.15000  1.0 3.0
   34    33    47    48   0.27000  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33   -47    42   0.56750  1.0 1.0
   38    33   -47    42  -0.07550 -1.0 2.0
   38    33   -47    42   0.20000  1.0 3.0
   38    33    47    48   0.35600  1.0 1.0
   38    33    47    48  -0.14650 -1.0 2.0
   38    33    47    48   0.33350  1.0 3.0
   38    33    47    49   0.15000  1.0 3.0
   38    40    42    43   0.15000  1.0 3.0
   38    40    42    44   0.15000  1.0 3.0
   38    40   -42    47   0.56750  1.0 1.0
   38    40   -42    47  -0.07550 -1.0 2.0
   38    40   -42    47   0.20000  1.0 3.0
   38    40    45    46   0.35600  1.0 1.0
   38    40    45    46  -0.14650 -1.0 2.0
   38    40    45    46   0.33350  1.0 3.0
   38    40    45    50   0.34400  1.0 1.0
   38    40    45    50   0.09450 -1.0 2.0
   38    40    45    50   0.11100  1.0 3.0
   38    40   -45    56   0.56750  1.0 1.0
   38    40   -45    56  -0.07550 -1.0 2.0
   38    40   -45    56   0.20000  1.0 3.0
   38    54   -56    45   0.56750  1.0 1.0
   38    54   -56    45  -0.07550 -1.0 2.0
   38    54   -56    45   0.20000  1.0 3.0
   38    54    56    57   0.35600  1.0 1.0
   38    54    56    57  -0.14650 -1.0 2.0
   38    54    56    57   0.33350  1.0 3.0
   38    54    56    58   0.35600  1.0 1.0
   38    54    56    58  -0.14650 -1.0 2.0
   38    54    56    58   0.33350  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    54    52   0.15000  1.0 3.0
   39    38    54    55   0.27000  1.0 3.0
   39    38    54    56   0.15000  1.0 3.0
   40    38    54    52   0.34400  1.0 1.0
   40    38    54    52   0.09450 -1.0 2.0
   40    38    54    52   0.11100  1.0 3.0
   40    38    54    55   0.35600  1.0 1.0
   40    38    54    55  -0.14650 -1.0 2.0
   40    38    54    55   0.33350  1.0 3.0
   40    38   -54    56   0.56750  1.0 1.0
   40    38   -54    56  -0.07550 -1.0 2.0
   40    38   -54    56   0.20000  1.0 3.0
   40    42   -47    33   0.56750  1.0 1.0
   40    42   -47    33  -0.07550 -1.0 2.0
   40    42   -47    33   0.20000  1.0 3.0
   40    42    47    48   0.35600  1.0 1.0
   40    42    47    48  -0.14650 -1.0 2.0
   40    42    47    48   0.33350  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    45    50    51   0.09700  1.0 1.0
   40    45    50    51   0.15600 -1.0 2.0
   40    45    50    51  -0.50800  1.0 3.0
   40    45   -50    52   0.09850  1.0 1.0
   40    45   -50    52   0.15250 -1.0 2.0
   40    45   -50    52  -0.50650  1.0 3.0
   40    45   -56    54   0.56750  1.0 1.0
   40    45   -56    54  -0.07550 -1.0 2.0
   40    45   -56    54   0.20000  1.0 3.0
   40    45    56    57   0.35600  1.0 1.0
   40    45    56    57  -0.14650 -1.0 2.0
   40    45    56    57   0.33350  1.0 3.0
   40    45    56    58   0.35600  1.0 1.0
   40    45    56    58  -0.14650 -1.0 2.0
   40    45    56    58   0.33350  1.0 3.0
   41    40    42    43   0.15000  1.0 3.0
   41    40    42    44   0.15000  1.0 3.0
   41    40    42    47   0.15000  1.0 3.0
   41    40    45    46   0.27000  1.0 3.0
   41    40    45    50   0.15000  1.0 3.0
   41    40    45    56   0.15000  1.0 3.0
   42    40    45    46   0.35600  1.0 1.0
   42    40    45    46  -0.14650 -1.0 2.0
   42    40    45    46   0.33350  1.0 3.0
   42    40    45    50   0.34400  1.0 1.0
   42    40    45    50   0.09450 -1.0 2.0
   42    40    45    50   0.11100  1.0 3.0
   42    40    45    56   0.56750  1.0 1.0
   42    40    45    56  -0.07550 -1.0 2.0
   42    40    45    56   0.20000  1.0 3.0
   43    42    47    33   0.15000  1.0 3.0
   43    42    47    48   0.27000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   44    42    47    33   0.15000  1.0 3.0
   44    42    47    48   0.27000  1.0 3.0
   44    42    47    49   0.15000  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33   -38    40   0.56750  1.0 1.0
   47    33   -38    40  -0.07550 -1.0 2.0
   47    33   -38    40   0.20000  1.0 3.0
   47    33    38    54   0.56750  1.0 1.0
   47    33    38    54  -0.07550 -1.0 2.0
   47    33    38    54   0.20000  1.0 3.0
   45    40    42    43   0.15000  1.0 3.0
   45    40    42    44   0.15000  1.0 3.0
   45    40    42    47   0.56750  1.0 1.0
   45    40    42    47  -0.07550 -1.0 2.0
   45    40    42    47   0.20000  1.0 3.0
   45    50    52    53   7.00000 -1.0 2.0
   45    50   -52    54   7.00000 -1.0 2.0
   46    45    50    51   0.09700  1.0 1.0
   46    45    50    51   0.15600 -1.0 2.0
   46    45    50    51  -0.50800  1.0 3.0
   46    45    50    52   0.09700  1.0 1.0
   46    45    50    52   0.15600 -1.0 2.0
   46    45    50    52  -0.50800  1.0 3.0
   46    45    56    54   0.35600  1.0 1.0
   46    45    56    54  -0.14650 -1.0 2.0
   46    45    56    54   0.33350  1.0 3.0
   46    45    56    57   0.22500  1.0 1.0
   46    45    56    58   0.22500  1.0 1.0
   50    45   -56    54   0.34400  1.0 1.0
   50    45   -56    54   0.09450 -1.0 2.0
   50    45   -56    54   0.11100  1.0 3.0
   50    45    56    57   0.56750  1.0 1.0
   50    45    56    57  -0.07550 -1.0 2.0
   50    45    56    57   0.20000  1.0 3.0
   50    45    56    58   0.56750  1.0 1.0
   50    45    56    58  -0.07550 -1.0 2.0
   50    45    56    58   0.20000  1.0 3.0
   50    52   -54    38   0.09850  1.0 1.0
   50    52   -54    38   0.15250 -1.0 2.0
   50    52   -54    38  -0.50650  1.0 3.0
   50    52    54    55   0.09700  1.0 1.0
   50    52    54    55   0.15600 -1.0 2.0
   50    52    54    55  -0.50800  1.0 3.0
   50    52   -54    56   0.09850  1.0 1.0
   50    52   -54    56   0.15250 -1.0 2.0
   50    52   -54    56  -0.50650  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    54   7.00000 -1.0 2.0
   52    54   -56    45   0.34400  1.0 1.0
   52    54   -56    45   0.09450 -1.0 2.0
   52    54   -56    45   0.11100  1.0 3.0
   52    54    56    57   0.56750  1.0 1.0
   52    54    56    57  -0.07550 -1.0 2.0
   52    54    56    57   0.20000  1.0 3.0
   52    54    56    58   0.56750  1.0 1.0
   52    54    56    58  -0.07550 -1.0 2.0
   52    54    56    58   0.20000  1.0 3.0
   53    52    54    38   0.09700  1.0 1.0
   53    52    54    38   0.15600 -1.0 2.0
   53    52    54    38  -0.50800  1.0 3.0
   53    52    54    55   0.09700  1.0 1.0
   53    52    54    55   0.15600 -1.0 2.0
   53    52    54    55  -0.50800  1.0 3.0
   53    52    54    56   0.09700  1.0 1.0
   53    52    54    56   0.15600 -1.0 2.0
   53    52    54    56  -0.50800  1.0 3.0
   54    38    40    41   0.15000  1.0 3.0
   54    38    40    42   0.56750  1.0 1.0
   54    38    40    42  -0.07550 -1.0 2.0
   54    38    40    42   0.20000  1.0 3.0
   54    38   -40    45   0.56750  1.0 1.0
   54    38   -40    45  -0.07550 -1.0 2.0
   54    38   -40    45   0.20000  1.0 3.0
   55    54    56    45   0.35600  1.0 1.0
   55    54    56    45  -0.14650 -1.0 2.0
   55    54    56    45   0.33350  1.0 3.0
   55    54    56    57   0.22500  1.0 1.0
   55    54    56    58   0.22500  1.0 1.0
   56    45    50    51   0.09700  1.0 1.0
   56    45    50    51   0.15600 -1.0 2.0
   56    45    50    51  -0.50800  1.0 3.0
   56    45   -50    52   0.09850  1.0 1.0
   56    45   -50    52   0.15250 -1.0 2.0
   56    45   -50    52  -0.50650  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
   45    51    50    52   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
END
