* LIGAND DATABASE FILE (OPLS2005)
*
001      66    67    117    172     332
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02102    61.08460    80.04692
    3     1 S   H    _H1_     3     1.02184    51.16309  -123.87559
    4     1 S   H    _H2_     4     1.02084   106.26514   -22.69298
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C14    36     1.81515    98.97191   -79.97551
   34    33 S   F    F1__    37     1.36228   108.86798   -55.85142
   35    33 S   HC   _H3_    38     1.09340   107.73992    59.93758
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   N    _N4_    39     1.46465   118.00638   179.67979
   40    39 S   CDX  _C5_    40     1.28748   136.34997   -90.69965
   41    40 S   NI   _N6_    41     1.40968   121.42013   179.92598
   42    40 S   CT   _C4_    63     1.49362   119.49627    -0.03426
   43    42 S   HC   _H4_    64     1.08962   109.81756   -90.03137
   44    42 S   HC   _H5_    65     1.09105   109.78555   149.79924
   45    42 S   HC   _H6_    66     1.08950   109.85622    30.18564
   46    41 S   N    _N5_    42     1.37126   104.00993     0.05234
   47    46 S   CA   _C7_    43     1.38022   121.97353   180.00000
   48    39 S   C    _C6_    61     1.49728   122.67381    89.26466
   49    48 S   O    _O33    62     1.21376   127.08715    -0.01978
   50    47 S   CA   _C8_    44     1.39455   118.25275  -150.05076
   51    50 S   HA   _H7_    45     1.08938   119.92667     0.03426
   52    50 S   CA   _C9_    46     1.39486   119.98692   179.98022
   53    52 S   CA   _C10    47     1.39493   119.99856     0.03956
   54    53 S   Cl   Cl2_    48     1.73197   122.24235   179.95577
   55    52 S   NM   _N7_    53     1.35043   118.39487   179.96044
   56    53 S   CA   _C11    49     1.39493   120.00332     0.00000
   57    56 S   HA   _H8_    50     1.08819   120.00228  -179.95577
   58    55 S   SY   _S1_    54     1.59012   122.89389   -59.93363
   59    58 S   OY   _O34    55     1.46005   115.80913   160.02737
   60    58 S   OY   _O35    56     1.45976   115.79550    19.90181
   61    47 S   CA   _C12    51     1.39493   121.73274    29.97179
   62    61 S   Cl   Cl1_    52     1.73150   122.10689    -0.01978
   63    58 S   CT   _C13    57     1.78080    99.47854   -90.03264
   64    63 S   HC   _H9_    58     1.09166   108.42450   179.98022
   65    63 S   HC   _H10    59     1.09082   108.39347   -60.02076
   66    63 S   HC   _H11    60     1.09105   108.41675    60.01406
  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
   9   4   3   2   1   1  10   9  10   5   2   1   1   9  11   3
   1   9   4  10   7   4   8   3   2   6   5   4   1   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    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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    48    49    42  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    46    47    48    49    42    43    44    45  
   41    46    47    48    49    42    43    44    45  
   46    47    50    61    48    49    42    43    44    45  
   43    44    45    46    48  
   44    45  
   45  
    0  
   47    50    51    52    56    61    62    48    49  
   50    51    52    53    56    57    61    62    55    48    49  
   49    50    61  
    0  
   51    52    53    54    56    61    62    55    58  
   52    53    61    55  
   53    54    56    57    61    55    58    59    60    63  
   54    56    57    61    62    55    58  
   56    57    61    55  
   58    59    60    63    64    65    66    56  
   57    61    62  
   61    62  
   59    60    63    64    65    66  
   60    63    64    65    66  
   63    64    65    66  
   62  
    0  
   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  -0.175000   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   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   35   2.5000   0.0300   0.100000   1.3810   1.2100   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   3.2500   0.1700  -0.367500   1.8100   1.6000   0.054801302  -1.445846770
   40   3.7500   0.1050   0.481500   2.0020   1.7750   0.023028004  -0.852763146
   41   3.2800   0.1700  -0.359000   1.8540   1.6400   0.005000000   0.000000000
   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   3.2500   0.1700  -0.207500   1.8100   1.6000   0.054801302  -1.445846770
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.861300   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.542400   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   55   3.4200   0.1700  -0.252300   1.9310   1.7100   0.005000000   0.000000000
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.2500   1.494700   2.0020   1.7750   0.025682759  -1.666211680
   59   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   60   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   63   3.5000   0.0660  -0.716800   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.195000   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    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   367.000  1.332
   33    35   340.000  1.090
   33    39   337.000  1.449
   39    40   400.000  1.380
   39    48   490.000  1.335
   40    41   650.000  1.285
   40    42   260.000  1.508
   41    46   305.000  1.341
   46    47   360.000  1.404
   46    48   490.000  1.335
   47    50   469.000  1.400
   47    61   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   469.000  1.400
   52    55   515.000  1.335
   53    54   300.000  1.725
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   300.000  1.725
   55    58   350.000  1.613
   58    59   735.000  1.471
   58    60   735.000  1.471
   58    63   205.000  1.840
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   48    49   570.000  1.229
   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    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    90.00000  110.13500
   29    33    35    35.00000  109.50000
   29    33    39    80.00000  108.62000
   33    39    40    70.00000  118.08000
   33    39    48    50.00000  121.90000
   35    33    34    40.00000  107.00000
   39    33    34    95.00000  109.00000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  119.04400
   39    40    42    70.00000  106.88000
   39    48    46    90.00000  111.91700
   39    48    49    80.00000  122.90000
   40    41    46   110.00000  108.05000
   40    42    43    45.00000  109.58200
   40    42    44    45.00000  109.58200
   40    42    45    45.00000  109.58200
   41    46    47    75.00000  123.91000
   41    46    48    75.00000  121.16600
   46    47    50    70.00000  119.01900
   46    47    61    70.00000  119.01900
   46    48    49    80.00000  122.90000
   47    50    51    35.00000  120.00000
   47    50    52    63.00000  120.00000
   47    61    56    63.00000  120.00000
   47    61    62    75.00000  120.00000
   50    52    53    63.00000  120.00000
   50    52    55    65.00000  124.38400
   52    50    51    35.00000  120.00000
   52    53    54    75.00000  120.00000
   52    53    56    63.00000  120.00000
   52    55    58    75.00000  122.36500
   53    56    57    35.00000  120.00000
   53    56    61    63.00000  120.00000
   56    53    54    75.00000  120.00000
   56    61    62    75.00000  120.00000
   61    47    50    63.00000  120.00000
   61    56    57    35.00000  120.00000
   55    52    53    65.00000  124.38400
   55    58    59   105.00000  114.79700
   55    58    60   105.00000  114.79700
   55    58    63   100.00000  102.99600
   58    63    64    45.00000  108.39800
   58    63    65    45.00000  108.39800
   58    63    66    45.00000  108.39800
   60    58    59   115.00000  120.17200
   63    58    59   100.00000  108.55000
   63    58    60   100.00000  108.55000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   48    39    40    70.00000  120.51600
   48    46    47    65.00000  121.96500
   42    40    41    70.00000  118.34500
   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    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.17850 -1.0 2.0
   29    33    39    48  -0.42300  1.0 1.0
   29    33    39    48  -0.07000 -1.0 2.0
   29    33    39    48   0.04150  1.0 3.0
   33    39    40    41   1.00000 -1.0 2.0
   33    39    40    42   1.00000 -1.0 2.0
   33    39    48    46   4.56800  1.0 1.0
   33    39    48    46   0.31650 -1.0 2.0
   33    39    48    49   3.04450 -1.0 2.0
   34    33    39    40   0.17850 -1.0 2.0
   34    33    39    48  -0.42300  1.0 1.0
   34    33    39    48  -0.07000 -1.0 2.0
   34    33    39    48   0.04150  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.00000  1.0 1.0
   39    40   -41    46   6.00000 -1.0 2.0
   39    40    42    43  -0.18050  1.0 3.0
   39    40    42    44  -0.18050  1.0 3.0
   39    40    42    45  -0.18050  1.0 3.0
   40    39   -48    46   4.59200  1.0 1.0
   40    39   -48    46   0.41200 -1.0 2.0
   40    39    48    49   2.67200 -1.0 2.0
   40    41    46    47   2.14300 -1.0 2.0
   40    41   -46    48   1.42450 -1.0 2.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.00000  1.0 1.0
   41    46    47    50   0.96250 -1.0 2.0
   41    46    47    61   0.96250 -1.0 2.0
   41    46   -48    39   0.63000  1.0 1.0
   41    46   -48    39   1.73150 -1.0 2.0
   41    46    48    49  -0.75150  1.0 1.0
   41    46    48    49   0.83450 -1.0 2.0
   46    47    50    51   3.62500 -1.0 2.0
   46    47    50    52   3.62500 -1.0 2.0
   46    47    61    56   3.62500 -1.0 2.0
   46    47    61    62   3.62500 -1.0 2.0
   47    46    48    39   0.54900  1.0 1.0
   47    46    48    39   1.90750 -1.0 2.0
   47    46    48    49   0.04000 -1.0 2.0
   47    50    52    53   3.62500 -1.0 2.0
   47    50    52    55   3.62500 -1.0 2.0
   50    47    61    56   3.62500 -1.0 2.0
   50    47    61    62   3.62500 -1.0 2.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52   -53    56   3.62500 -1.0 2.0
   50    52    55    58   1.50000 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    55   3.62500 -1.0 2.0
   52    53    56    57   3.62500 -1.0 2.0
   52    53    56    61   3.62500 -1.0 2.0
   52    55    58    59  -0.23550  1.0 1.0
   52    55    58    59   0.77000 -1.0 2.0
   52    55    58    59   0.47650  1.0 3.0
   52    55    58    60  -0.23550  1.0 1.0
   52    55    58    60   0.77000 -1.0 2.0
   52    55    58    60   0.47650  1.0 3.0
   52    55    58    63   0.34100  1.0 1.0
   52    55    58    63  -0.43950 -1.0 2.0
   52    55    58    63   0.17850  1.0 3.0
   53    52    55    58   1.50000 -1.0 2.0
   53    56   -61    47   3.62500 -1.0 2.0
   53    56    61    62   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    61   3.62500 -1.0 2.0
   57    56    61    47   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   61    47    50    51   3.62500 -1.0 2.0
   61    47   -50    52   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    56   3.62500 -1.0 2.0
   55    58    63    64  -0.06500  1.0 3.0
   55    58    63    65  -0.06500  1.0 3.0
   55    58    63    66  -0.06500  1.0 3.0
   59    58    63    64   0.26000  1.0 3.0
   59    58    63    65   0.26000  1.0 3.0
   59    58    63    66   0.26000  1.0 3.0
   60    58    63    64   0.26000  1.0 3.0
   60    58    63    65   0.26000  1.0 3.0
   60    58    63    66   0.26000  1.0 3.0
   48    39   -40    41  -0.56400  1.0 1.0
   48    39   -40    41   0.77500 -1.0 2.0
   48    39   -40    41   0.18700  1.0 3.0
   48    39    40    42  -0.45200  1.0 1.0
   48    39    40    42   0.85900 -1.0 2.0
   48    39    40    42   0.16650  1.0 3.0
   48    46    47    50   1.00100  1.0 1.0
   48    46    47    50   0.85050 -1.0 2.0
   48    46    47    61   1.00100  1.0 1.0
   48    46    47    61   0.85050 -1.0 2.0
   42    40    41    46   6.00000 -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
   48    40    39    33   1.00000 -1.0 2.0
   39    42    40    41  10.50000 -1.0 2.0
   47    48    46    41   1.00000 -1.0 2.0
   50    61    47    46   4.00000 -1.0 2.0
   52    51    50    47   1.10000 -1.0 2.0
   53    55    52    50   4.00000 -1.0 2.0
   56    54    53    52   4.00000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   56    62    61    47   4.00000 -1.0 2.0
   39    46    48    49  10.50000 -1.0 2.0
END
