* LIGAND DATABASE FILE (OPLS2005)
*
001      66    66    116    171     339
    1     0 S   NP   _N1_     1    28.25703    95.74438   -21.04074
    2     1 S   H    _HN1     2     1.02919    33.69240   106.09699
    3     1 S   H    _H1_     3     1.02782    97.35287  -142.75768
    4     1 S   H    _H2_     4     1.02856    81.12125   -35.33735
    5     1 S   CT   _CA1     5     1.50458   141.27349    77.52889
    6     5 S   HC   _HA1     6     1.09695   104.64680    78.89450
    7     5 S   CO3  _C1_     7     1.54342   110.68531   -37.43744
    8     7 S   O2Z  _O11     8     1.26067   116.45908  -105.31616
    9     7 S   O2Z  _O12     9     1.26560   113.87075    72.38942
   10     5 S   CT   _CB1    10     1.53162   107.00715  -165.13097
   11    10 S   HC   HB11    11     1.09834   109.85758   -44.77988
   12    10 S   HC   HB12    12     1.09751   110.59186    72.06138
   13    10 S   CT   _CG1    13     1.52874   111.86610  -165.17880
   14    13 S   HC   HG11    14     1.09554   110.72809   -61.28798
   15    13 S   HC   HG12    15     1.09655   109.41261    57.70631
   16    13 S   C    _CD1    16     1.51783   112.67263   178.01160
   17    16 S   O    _OE1    17     1.22767   123.35367     6.32639
   18    16 S   N    _N2_    18     1.38486   111.60491  -174.10183
   19    18 S   H    _HN2    19     1.02097   118.73261     3.69618
   20    18 S   CT1  _CA2    20     1.45771   123.22807  -179.73756
   21    20 S   HC   _HA2    21     1.09751   108.55318    28.73828
   22    20 S   C    _C2_    22     1.52961   107.58502   -88.30255
   23    22 S   O    _O2_    23     1.22953   123.28647   -25.44646
   24    20 S   CT   _CB2    32     1.53250   112.05115   151.54552
   25    24 S   HC   HB21    33     1.09613   110.06464    55.65015
   26    24 S   HC   HB22    34     1.09515   110.63690   174.81964
   27    22 S   N    _N3_    24     1.38588   112.47012   157.03411
   28    27 S   H    _HN3    25     1.01652   120.31369    -2.08187
   29    24 S   S    _SG2    35     1.82251   110.98530   -64.92663
   30    27 S   CT   _CA3    26     1.45347   122.44806   178.75165
   31    30 S   HC   HA31    27     1.09569   107.79288   -55.84944
   32    30 S   HC   HA32    28     1.09563   107.61706    60.46691
   33    29 S   CT   _C13    36     1.81888    99.04486   174.82055
   34    33 S   HC   _H11    37     1.09508   109.36726   -41.48258
   35    33 S   HC   _H12    38     1.09434   109.11935    76.32619
   36    30 S   CO3  _C3_    29     1.52880   114.37095  -177.78583
   37    36 S   O2Z  _O31    30     1.26334   116.09559    -0.92302
   38    36 S   O2Z  _O32    31     1.26443   114.40571   179.05126
   39    33 S   CM   _C11    39     1.49672   109.64846  -161.62481
   40    39 S   CMA  _C12    40     1.52336   120.41018  -102.05898
   41    40 S   OM   _O41    41     1.26329   121.13626  -115.28255
   42    40 S   OM   _O42    42     1.26293   120.35151    64.39812
   43    39 S   OS   _O40    43     1.38457   115.46728   103.77954
   44    43 S   CT   _C5_    44     1.43661   112.36783  -131.50966
   45    44 S   HC   _H3_    45     1.09837   111.11222   -34.04411
   46    44 S   CT   _C4_    46     1.54433   107.92139  -150.87255
   47    46 S   HC   _H6_    47     1.09737   108.74841   158.11080
   48    46 S   HC   _H7_    48     1.09701   109.12517    40.95748
   49    46 S   CM   _C9_    49     1.51217   114.38082   -81.35331
   50    49 S   CM   _C8_    50     1.34413   122.84238   -10.03015
   51    50 S   HC   _H8_    51     1.08681   120.46077   178.52448
   52    49 S   CO3  _C10    64     1.54400   117.84037   169.70971
   53    52 S   O2Z  _O34    65     1.26463   116.18641  -147.00555
   54    52 S   O2Z  _O33    66     1.26586   114.96483    32.58121
   55    50 S   CT   _C7_    52     1.50412   122.75993    -0.25488
   56    55 S   HC   _H5_    53     1.09695   107.43740   100.50757
   57    44 S   CT   _C6_    54     1.53654   110.20310    88.44441
   58    57 S   HC   _H4_    55     1.09383   111.45337   -60.38280
   59    55 S   OS   _O35    58     1.42587   110.22574  -141.02704
   60    57 S   OH   _O39    56     1.43189   109.50118  -177.74293
   61    60 S   HO   _H10    57     0.97227   107.11220    60.91029
   62    59 S   P2   _P1_    59     1.63076   118.85940   -97.61501
   63    62 S   O2Z  _O38    60     1.51110   109.43596    76.89829
   64    62 S   O2Z  _O36    61     1.51209   109.70656   -58.19012
   65    62 S   OS   _O37    62     1.63036    98.34801  -170.96865
   66    65 S   HO   _H9_    63     0.97896   116.37228   -76.61013
  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   6   5   4   3
   8   4   3   2   1   1   8   4   2   1  10  14   8  12   5   4
   9  11   5   3   1   1  10   5   5   3   6   1   1   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44  
   35    39    40    43  
   39    40    43  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    57  
   41    42    43    44  
   42    43  
   43  
   44    45    46    47    48    49    55    57    58    60  
   45    46    47    48    49    50    55    56    57    58    60    61    59    52  
   46    47    48    49    55    57    58    60  
   47    48    49    50    51    55    57    58    60    52    53    54  
   48    49    50    57    52  
   49    50    57    52  
   50    51    55    56    57    59    52    53    54  
   51    55    56    57    58    60    59    62    52    53    54  
   55    56    57    59    52  
   53    54    55  
   54  
    0  
   56    57    58    60    61    59    62    63    64    65  
   57    58    60    59    62  
   58    60    61    59    62  
   60    61    59  
   62    63    64    65    66    60  
   61  
    0  
   63    64    65    66  
   64    65    66  
   65    66  
   66  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    43   440.000  1.360
   40    41   745.000  1.250
   40    42   745.000  1.250
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    57   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   317.000  1.510
   49    50   549.000  1.340
   49    52   230.000  1.545
   50    51   340.000  1.080
   50    55   317.000  1.510
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   320.000  1.410
   57    58   340.000  1.090
   57    60   320.000  1.410
   60    61   553.000  0.945
   59    62   230.000  1.697
   62    63   525.000  1.480
   62    64   525.000  1.480
   62    65   230.000  1.697
   65    66   553.000  0.945
   52    53   656.000  1.250
   52    54   656.000  1.250
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    43    85.00000  112.85300
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    65.00000  137.10300
   39    43    44    90.00000  111.18400
   42    40    41    65.00000  121.00000
   43    39    40    80.00000  120.01400
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    57    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    49    70.00000  112.02700
   44    57    55    58.35000  112.70000
   44    57    58    37.50000  110.70000
   44    57    60    50.00000  109.50000
   46    44    45    37.50000  110.70000
   46    49    50    70.00000  124.00000
   46    49    52    65.00000  117.04000
   48    46    47    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    35.00000  109.50000
   49    50    51    35.00000  120.00000
   49    50    55    70.00000  124.00000
   49    52    53    85.00000  113.83300
   49    52    54    85.00000  113.83300
   50    55    56    35.00000  109.50000
   50    55    57    70.00000  112.02700
   50    55    59    85.00000  110.90400
   55    50    51    35.00000  117.00000
   55    57    58    37.50000  110.70000
   55    57    60    50.00000  109.50000
   55    59    62   100.00000  120.50000
   57    44    45    37.50000  110.70000
   57    44    46    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    60    61    55.00000  108.50000
   60    57    58    35.00000  109.50000
   59    55    56    35.00000  109.50000
   59    55    57    50.00000  109.50000
   59    62    63   100.00000  108.23000
   59    62    64   100.00000  108.23000
   59    62    65    45.00000  102.60000
   62    65    66    45.00000  108.50000
   64    62    63   140.00000  119.90000
   65    62    63   100.00000  108.23000
   65    62    64   100.00000  108.23000
   52    49    50    55.00000  124.75400
   54    52    53    80.00000  126.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    43   0.09700  1.0 1.0
   29    33    39    43   0.15600 -1.0 2.0
   29    33    39    43  -0.50800  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    43    44   2.00000 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    43   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    43   0.00000  1.0 1.0
   39    43    44    45   0.08050  1.0 3.0
   39    43    44    46  -0.46850  1.0 1.0
   39    43    44    46   0.09300 -1.0 2.0
   39    43    44    46  -0.12850  1.0 3.0
   39    43    44    57  -0.46850  1.0 1.0
   39    43    44    57   0.09300 -1.0 2.0
   39    43    44    57  -0.12850  1.0 3.0
   40    39    43    44  -2.26850  1.0 1.0
   40    39    43    44   3.39050 -1.0 2.0
   43    39    40    41   7.00000 -1.0 2.0
   43    39    40    42   7.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    49   0.61850  1.0 1.0
   43    44    46    49  -0.22750 -1.0 2.0
   43    44    46    49   0.15300  1.0 3.0
   43    44    57    55   0.62750  1.0 1.0
   43    44    57    55  -0.30950 -1.0 2.0
   43    44    57    55   0.27300  1.0 3.0
   43    44    57    58   0.23400  1.0 3.0
   43    44    57    60   3.69350  1.0 1.0
   43    44    57    60  -1.82950 -1.0 2.0
   44    46    49    50   0.09850  1.0 1.0
   44    46    49    50   0.15250 -1.0 2.0
   44    46    49    50  -0.50650  1.0 3.0
   44    46    49    52   0.09700  1.0 1.0
   44    46    49    52   0.15600 -1.0 2.0
   44    46    49    52  -0.50800  1.0 3.0
   44    57    60    61  -0.11600  1.0 1.0
   44    57    60    61  -0.09450 -1.0 2.0
   44    57    60    61   0.21250  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    57    55   0.15000  1.0 3.0
   45    44    57    58   0.15000  1.0 3.0
   45    44    57    60   0.23400  1.0 3.0
   46    44    57    55   0.56750  1.0 1.0
   46    44    57    55  -0.07550 -1.0 2.0
   46    44    57    55   0.20000  1.0 3.0
   46    44    57    58   0.15000  1.0 3.0
   46    44    57    60   0.86500  1.0 1.0
   46    44    57    60  -0.17500 -1.0 2.0
   46    44    57    60   0.20800  1.0 3.0
   46    49    50    51   7.00000 -1.0 2.0
   46    49   -50    55   7.00000 -1.0 2.0
   46    49    52    53  -0.64400  1.0 1.0
   46    49    52    53   0.26850 -1.0 2.0
   46    49    52    54  -0.64400  1.0 1.0
   46    49    52    54   0.26850 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.00000  1.0 1.0
   48    46    49    52   0.15000  1.0 3.0
   49    50    55    56   0.00000  1.0 1.0
   49    50    55    57   0.09850  1.0 1.0
   49    50    55    57   0.15250 -1.0 2.0
   49    50    55    57  -0.50650  1.0 3.0
   49    50    55    59   0.39000  1.0 1.0
   49    50    55    59  -0.05800 -1.0 2.0
   49    50    55    59  -0.55150  1.0 3.0
   50    49    52    53  -0.04000 -1.0 2.0
   50    49    52    53  -0.29050  1.0 3.0
   50    49    52    54  -0.04000 -1.0 2.0
   50    49    52    54  -0.29050  1.0 3.0
   50    55   -57    44   0.34400  1.0 1.0
   50    55   -57    44   0.09450 -1.0 2.0
   50    55   -57    44   0.11100  1.0 3.0
   50    55    57    58   0.15000  1.0 3.0
   50    55    57    60   1.05650  1.0 1.0
   50    55    57    60   0.15600 -1.0 2.0
   50    55    57    60   0.53150  1.0 3.0
   50    55    59    62   0.37500  1.0 3.0
   51    50    55    56   0.33100  1.0 3.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    55    59   0.00000  1.0 1.0
   55    57    60    61  -0.11600  1.0 1.0
   55    57    60    61  -0.09450 -1.0 2.0
   55    57    60    61   0.21250  1.0 3.0
   55    59    62    63   0.00000  1.0 1.0
   55    59    62    64   0.00000  1.0 1.0
   55    59    62    65   0.05050  1.0 1.0
   55    59    62    65  -1.30700 -1.0 2.0
   55    59    62    65   0.91550  1.0 3.0
   56    55    57    44   0.15000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    60   0.23400  1.0 3.0
   56    55    59    62   0.03000  1.0 3.0
   57    44    46    47   0.15000  1.0 3.0
   57    44    46    48   0.15000  1.0 3.0
   57    44   -46    49   0.34400  1.0 1.0
   57    44   -46    49   0.09450 -1.0 2.0
   57    44   -46    49   0.11100  1.0 3.0
   57    55    59    62  -2.65550  1.0 1.0
   57    55    59    62  -0.22350 -1.0 2.0
   57    55    59    62   0.24150  1.0 3.0
   58    57    60    61   0.19450  1.0 3.0
   59    55    57    44   0.62750  1.0 1.0
   59    55    57    44  -0.30950 -1.0 2.0
   59    55    57    44   0.27300  1.0 3.0
   59    55    57    58   0.23400  1.0 3.0
   59    55    57    60   3.69350  1.0 1.0
   59    55    57    60  -1.82950 -1.0 2.0
   59    62    65    66   0.00000  1.0 1.0
   63    62    65    66   0.00000  1.0 1.0
   64    62    65    66   0.00000  1.0 1.0
   52    49    50    51   7.00000 -1.0 2.0
   52    49    50    55   7.00000 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   33    43    39    40  15.00000 -1.0 2.0
   41    42    40    39  15.00000 -1.0 2.0
   46    52    49    50   1.10000 -1.0 2.0
   55    51    50    49   1.10000 -1.0 2.0
   53    49    52    54  10.50000 -1.0 2.0
END
