* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    125    202     370
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02099    98.13354   -53.74085
    3     1 S   H    _H1_     3     1.02103    80.84575    54.02421
    4     1 S   H    _H2_     4     1.02104    35.60686  -164.59735
    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   _C10    36     1.80585    98.13950   161.76202
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C13    37     1.48720   111.92980  -179.97202
   38    33 S   CT   _C9_    51     1.51995   112.65041    48.73784
   39    38 S   HC   _H9_    52     1.08413   109.08557    49.73652
   40    38 S   HC   _H10    53     1.08481   109.30213   -70.84107
   41    37 S   CM   _C12    38     1.45513   108.71318   113.26601
   42    38 S   NTH  _N4_    54     1.42567   110.08883   169.38871
   43    42 S   H    _H8_    55     1.02933   110.82065   -59.18590
   44    41 S   NI   _N5_    39     1.36092   110.10129    -0.26467
   45    41 S   NE   _N7_    42     1.27297   121.24556   179.53522
   46    45 S   H    _H12    43     1.01954   123.81559   179.97202
   47    42 S   CT   _C8_    56     1.45857   112.05070  -179.67135
   48    47 S   HC   _H5_    57     1.10274   110.10498    45.03873
   49    33 S   CD   _C11    40     1.51074   108.51586   -74.43070
   50    49 S   HC   _H11    41     1.10185   120.39203    64.40402
   51    45 S   CDX  _C15    44     1.58257   116.09603    -0.28939
   52    47 S   CM   _C4_    58     1.50340   112.10202   -77.84993
   53    52 S   HC   _H6_    59     1.08189   123.72602    74.11516
   54    51 S   NI   _N6_    45     1.30557   122.28740    -0.50358
   55    51 S   NE   _N8_    48     1.36942   114.21854   179.57022
   56    55 S   H    _H13    49     0.99412   118.34315   179.95154
   57    55 S   H    _H14    50     0.99411   118.37073    -0.02798
   58    52 S   CM   _C5_    60     1.33776   112.11651  -104.75202
   59    58 S   HC   _H7_    61     1.08098   124.30124   178.01831
   60    37 S   C    _C14    46     1.46954   129.05666   -68.83001
   61    60 S   O    _O33    47     1.22598   120.63223     0.65252
   62    58 S   CT   _C6_    62     1.49410   111.18523     1.92234
   63    62 S   HC   _H3_    63     1.09619   109.16694   100.39552
   64    47 S   CT   _C7_    64     1.53991   112.17533   168.64763
   65    64 S   HC   _H4_    65     1.09503   113.46083   -28.63115
   66    62 S   OH   _O35    68     1.41296   111.37924  -138.70820
   67    66 S   HO   _H16    69     0.97300   107.24815   -60.05487
   68    64 S   OH   _O34    66     1.42955   107.93749  -147.05982
   69    68 S   HO   _H15    67     0.96831   106.30403    59.99263
  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  11   5   4   3
  15   2   1   1  14  13   5   4  10  11   4   6   8   3  12   7
   2   1   6   9   4   5   3   1   1   8   4   1   1   7   5   5
   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    44    49    50    60    38    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    44    49    50    45    54    60    61    38    39    40    42    43    47  
   35    36  
   36  
    0  
   41    44    49    50    45    46    51    54    60    61    38    39    40    42  
   39    40    42    43    47    48    52    64    41    44    49    50    60  
   40    42    43    47    49  
   42    43    47    49  
   44    49    50    45    46    51    54    60    61    55  
   43    47    48    52    53    58    62    64    65    68    49  
   47    48    52    64  
   49    50    45    46    51    60  
   46    51    54    60    55    56    57    49  
   51    54    55  
   48    52    53    58    59    62    63    64    65    68    69    66  
   52    53    58    62    64    65    68  
   50    60  
    0  
   54    60    61    55    56    57  
   53    58    59    62    63    64    65    68    66  
   58    59    62    64  
   60    61    55    56    57  
   56    57    60  
   57  
    0  
   59    62    63    64    65    68    66    67  
   62    63    64    66  
   61  
    0  
   63    64    65    68    69    66    67  
   64    65    68    66    67  
   65    68    69    66    67  
   68    69    66  
   67    68  
    0  
   69  
    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   0.203600   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.245000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   43   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   45   3.2500   0.1700  -0.507500   2.1120   1.8750   0.051222218  -2.220205820
   46   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.313400   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.729100   2.1120   1.8750   0.001000000  -0.126889456
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.2800   0.1700  -0.795000   1.9250   1.7000   0.054801302  -2.445846770
   55   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   57   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.723800   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.617900   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    49   270.000  1.508
   33    38   268.000  1.529
   37    41   549.000  1.340
   37    60   410.000  1.444
   41    44   405.000  1.380
   41    45   425.000  1.378
   44    49   500.000  1.261
   49    50   370.000  1.093
   45    46   434.000  1.010
   45    51   445.000  1.380
   51    54   650.000  1.285
   51    55   445.000  1.380
   54    60   415.000  1.368
   60    61   570.000  1.229
   55    56   434.000  1.010
   55    57   434.000  1.010
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   305.000  1.454
   42    43   500.000  1.015
   42    47   305.000  1.454
   47    48   340.000  1.090
   47    52   317.000  1.510
   47    64   268.000  1.529
   52    53   340.000  1.080
   52    58   549.000  1.340
   58    59   340.000  1.080
   58    62   317.000  1.510
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   320.000  1.410
   64    65   340.000  1.090
   64    68   320.000  1.410
   68    69   553.000  0.945
   66    67   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    49    75.00000  114.43000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    60    70.00000  119.70000
   33    49    44    65.00000  122.10100
   33    49    50    40.00000  113.58700
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    80.00000  111.29100
   37    41    44    70.00000  120.83400
   37    41    45    70.00000  124.03900
   37    60    54    75.00000  112.93000
   37    60    61    80.00000  125.30000
   41    44    49    75.00000  115.77100
   41    45    46    35.00000  114.50000
   41    45    51    75.00000  119.57500
   44    49    50    45.00000  120.55300
   49    33    37    70.00000  110.51600
   45    41    44    85.00000  113.56000
   45    51    54    75.00000  124.36500
   45    51    55    85.00000  116.27000
   51    45    46    35.00000  119.50000
   51    54    60    75.00000  109.13600
   51    55    56    35.00000  119.50000
   51    55    57    35.00000  119.50000
   54    60    61    80.00000  126.08800
   60    37    41    70.00000  118.70000
   55    51    54    75.00000  124.36500
   57    55    56    35.00000  109.00000
   38    33    37    70.00000  112.02700
   38    33    49    70.00000  111.76100
   38    42    43    50.00000  109.23200
   38    42    47    75.00000  112.02600
   40    38    39    33.00000  107.80000
   42    38    39    50.00000  110.59500
   42    38    40    50.00000  110.59500
   42    47    48    50.00000  110.59500
   42    47    52    75.00000  110.70900
   42    47    64    80.00000  111.29100
   47    42    43    50.00000  109.23200
   47    52    53    35.00000  117.00000
   47    52    58    70.00000  124.00000
   47    64    62    58.35000  112.70000
   47    64    65    37.50000  110.70000
   47    64    68    50.00000  109.50000
   52    47    48    35.00000  109.50000
   52    58    59    35.00000  120.00000
   52    58    62    70.00000  124.00000
   58    52    53    35.00000  120.00000
   58    62    63    35.00000  109.50000
   58    62    64    70.00000  112.02700
   58    62    66    90.00000  110.39200
   62    58    59    35.00000  117.00000
   62    64    65    37.50000  110.70000
   62    64    68    50.00000  109.50000
   62    66    67    55.00000  108.50000
   64    47    48    37.50000  110.70000
   64    47    52    70.00000  112.02700
   64    62    63    37.50000  110.70000
   64    68    69    55.00000  108.50000
   68    64    65    35.00000  109.50000
   66    62    63    35.00000  109.50000
   66    62    64    50.00000  109.50000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    60   0.09700  1.0 1.0
   29    33    37    60   0.15600 -1.0 2.0
   29    33    37    60  -0.50800  1.0 3.0
   29    33    49    44   0.00000  1.0 1.0
   29    33    49    50   0.00000  1.0 1.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  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
   33    37   -41    44   7.00000 -1.0 2.0
   33    37    41    45   7.00000 -1.0 2.0
   33    37    60    54   1.50000 -1.0 2.0
   33    37    60    61  -0.64400  1.0 1.0
   33    37    60    61   0.26850 -1.0 2.0
   33    38    42    43   0.03200  1.0 1.0
   33    38    42    43   0.33800 -1.0 2.0
   33    38    42    47  -0.35450  1.0 1.0
   33    38    42    47   0.44050 -1.0 2.0
   33    38    42    47   0.77100  1.0 3.0
   37    33   -49    44   0.00000  1.0 1.0
   37    33    49    50   0.00000  1.0 1.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    42   0.59950  1.0 1.0
   37    33    38    42  -0.21400 -1.0 2.0
   37    33    38    42   0.56200  1.0 3.0
   37    41   -44    49   1.00000 -1.0 2.0
   37    41    45    46   1.00000 -1.0 2.0
   37    41    45    51  -0.54500  1.0 1.0
   37    41    45    51   1.14150 -1.0 2.0
   41    37    60    54   0.50400  1.0 1.0
   41    37    60    54   1.60000 -1.0 2.0
   41    37    60    54  -0.01800  1.0 3.0
   41    37    60    61   1.00000 -1.0 2.0
   41    44   -49    33   6.00000 -1.0 2.0
   41    44    49    50   4.00000 -1.0 2.0
   41    45   -51    54   1.00000 -1.0 2.0
   41    45    51    55   1.00000 -1.0 2.0
   44    41    45    46   1.00000 -1.0 2.0
   44    41    45    51   1.00000 -1.0 2.0
   49    33   -37    41  -0.28300  1.0 1.0
   49    33   -37    41   0.26700 -1.0 2.0
   49    33   -37    41  -0.63300  1.0 3.0
   49    33    37    60   0.09700  1.0 1.0
   49    33    37    60   0.15600 -1.0 2.0
   49    33    37    60  -0.50800  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33    38    42   0.59950  1.0 1.0
   49    33    38    42  -0.21400 -1.0 2.0
   49    33    38    42   0.56200  1.0 3.0
   45    41    44    49   1.00000 -1.0 2.0
   45    51    54    60   6.00000 -1.0 2.0
   45    51    55    56   1.00000 -1.0 2.0
   45    51    55    57   1.00000 -1.0 2.0
   46    45    51    54   1.50000 -1.0 2.0
   46    45    51    55   1.00000 -1.0 2.0
   51    54   -60    37   1.50000 -1.0 2.0
   51    54    60    61   3.09300 -1.0 2.0
   54    51    55    56   1.50000 -1.0 2.0
   54    51    55    57   1.50000 -1.0 2.0
   60    37    41    44   7.00000 -1.0 2.0
   60    37   -41    45   7.00000 -1.0 2.0
   55    51    54    60   6.00000 -1.0 2.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    60   0.09700  1.0 1.0
   38    33    37    60   0.15600 -1.0 2.0
   38    33    37    60  -0.50800  1.0 3.0
   38    33    49    44   0.00000  1.0 1.0
   38    33    49    50   0.00000  1.0 1.0
   38    42    47    48   0.28000  1.0 3.0
   38    42    47    52  -0.60800  1.0 1.0
   38    42    47    52   1.10050 -1.0 2.0
   38    42    47    52   0.47000  1.0 3.0
   38    42    47    64  -0.35450  1.0 1.0
   38    42    47    64   0.44050 -1.0 2.0
   38    42    47    64   0.77100  1.0 3.0
   39    38    42    43   0.20000  1.0 3.0
   39    38    42    47   0.28000  1.0 3.0
   40    38    42    43   0.20000  1.0 3.0
   40    38    42    47   0.28000  1.0 3.0
   42    47    52    53   0.00000  1.0 1.0
   42    47    52    58   0.90200  1.0 1.0
   42    47    52    58   0.57900 -1.0 2.0
   42    47    52    58  -0.62100  1.0 3.0
   42    47    64    62   1.85550  1.0 1.0
   42    47    64    62  -0.84100 -1.0 2.0
   42    47    64    65   0.15000  1.0 3.0
   42    47    64    68   4.49050  1.0 1.0
   43    42    47    48   0.20000  1.0 3.0
   43    42    47    52   0.12450  1.0 1.0
   43    42    47    52  -0.40750 -1.0 2.0
   43    42    47    52   0.30300  1.0 3.0
   43    42    47    64   0.03200  1.0 1.0
   43    42    47    64   0.33800 -1.0 2.0
   47    52    58    59   7.00000 -1.0 2.0
   47    52   -58    62   7.00000 -1.0 2.0
   47    64    68    69  -0.11600  1.0 1.0
   47    64    68    69  -0.09450 -1.0 2.0
   47    64    68    69   0.21250  1.0 3.0
   48    47    52    53   0.33100  1.0 3.0
   48    47    52    58   0.00000  1.0 1.0
   48    47    64    62   0.15000  1.0 3.0
   48    47    64    65   0.15000  1.0 3.0
   48    47    64    68   0.23400  1.0 3.0
   52    47   -64    62   0.34400  1.0 1.0
   52    47   -64    62   0.09450 -1.0 2.0
   52    47   -64    62   0.11100  1.0 3.0
   52    47    64    65   0.15000  1.0 3.0
   52    47    64    68   1.05650  1.0 1.0
   52    47    64    68   0.15600 -1.0 2.0
   52    47    64    68   0.53150  1.0 3.0
   52    58    62    63   0.00000  1.0 1.0
   52    58   -62    64   0.09850  1.0 1.0
   52    58   -62    64   0.15250 -1.0 2.0
   52    58   -62    64  -0.50650  1.0 3.0
   52    58    62    66   0.67800  1.0 1.0
   52    58    62    66   0.47050 -1.0 2.0
   52    58    62    66  -0.62500  1.0 3.0
   53    52    58    59   7.00000 -1.0 2.0
   53    52    58    62   7.00000 -1.0 2.0
   58    62   -64    47   0.34400  1.0 1.0
   58    62   -64    47   0.09450 -1.0 2.0
   58    62   -64    47   0.11100  1.0 3.0
   58    62    64    65   0.15000  1.0 3.0
   58    62    64    68   1.05650  1.0 1.0
   58    62    64    68   0.15600 -1.0 2.0
   58    62    64    68   0.53150  1.0 3.0
   58    62    66    67  -0.07800  1.0 1.0
   58    62    66    67  -0.21500 -1.0 2.0
   58    62    66    67  -0.03150  1.0 3.0
   59    58    62    63   0.33100  1.0 3.0
   59    58    62    64   0.00000  1.0 1.0
   59    58    62    66   0.00000  1.0 1.0
   62    64    68    69  -0.11600  1.0 1.0
   62    64    68    69  -0.09450 -1.0 2.0
   62    64    68    69   0.21250  1.0 3.0
   63    62    64    47   0.15000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   64    47    52    53   0.00000  1.0 1.0
   64    47   -52    58   0.09850  1.0 1.0
   64    47   -52    58   0.15250 -1.0 2.0
   64    47   -52    58  -0.50650  1.0 3.0
   64    62    66    67  -0.11600  1.0 1.0
   64    62    66    67  -0.09450 -1.0 2.0
   64    62    66    67   0.21250  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    62    64    47   0.86500  1.0 1.0
   66    62    64    47  -0.17500 -1.0 2.0
   66    62    64    47   0.20800  1.0 3.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    68   3.75450  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    60    37    41   1.10000 -1.0 2.0
   44    45    41    37   1.10000 -1.0 2.0
   33    50    49    44  10.50000 -1.0 2.0
   46    51    45    41   1.00000 -1.0 2.0
   45    55    51    54  10.50000 -1.0 2.0
   37    54    60    61  10.50000 -1.0 2.0
   57    51    55    56   1.00000 -1.0 2.0
   47    53    52    58   1.10000 -1.0 2.0
   62    59    58    52   1.10000 -1.0 2.0
END
