* LIGAND DATABASE FILE (OPLS2005)
*
001      63    65    114    177     329
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02068    86.82725   -74.08407
    3     1 S   H    _H1_     3     1.02070    93.52006    34.45050
    4     1 S   H    _H2_     4     1.02101    33.28703   153.91595
    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   _C13    36     1.80605    98.11764   -78.20712
   34    33 S   HC   _H10    37     1.09396   108.80239   -78.79851
   35    33 S   HC   _H11    38     1.09438   108.77960    38.81981
   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   CT   _C12    39     1.51423   110.53578   159.97251
   40    39 S   HC   _H5_    40     1.09392   112.44384    55.02070
   41    39 S   CO4  _C11    41     1.50752   112.34759  -179.62154
   42    41 S   O    _O33    42     1.22413   124.38101   -63.80989
   43    41 S   CT   _C10    43     1.49394   111.21746   118.26910
   44    43 S   HC   _H4_    44     1.09280   113.61662  -141.29112
   45    43 S   CO   _C9_    45     1.52058    98.84439   -20.65924
   46    45 S   HC   _H3_    46     1.09647   110.64641   -81.27047
   47    43 S   OH   _O35    62     1.41514   105.84727    96.00152
   48    47 S   HO   _H12    63     0.97244   107.13063    60.03612
   49    45 S   N*   _N5_    47     1.46619   109.92907   161.96215
   50    39 S   OS   _O34    61     1.44019   110.63194   -66.09852
   51    49 S   CRAB _C6_    48     1.55073   123.53825    59.58817
   52    51 S   HA   _H7_    49     1.09888   123.90655     0.03956
   53    51 S   NNA  _N6_    50     1.29780   111.51763   179.95577
   54    53 S   C56B _C7_    51     1.38273   104.08885     0.03956
   55    54 S   CA   _C8_    52     1.34413   130.13804   179.96044
   56    55 S   NB   _N7_    53     1.39151   118.25303   179.97202
   57    55 S   NND  _N8_    58     1.37405   120.02984    -0.00000
   58    57 S   H    _H8_    59     0.99194   118.12296     0.02798
   59    57 S   H    _H9_    60     0.99302   118.14857   179.94065
   60    56 S   CQ   _C4_    54     1.30255   120.45186     0.00000
   61    60 S   HA   _H6_    55     1.10161   118.57525  -180.00000
   62    60 S   NB   _N4_    56     1.33388   129.98125    -0.00000
   63    49 S   C56A _C5_    57     1.23644   131.04862  -120.40863
  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   7   5   4   3
   9   5   4   2   1   1  10   5   9   5   9   6  11   5   3   1
   9   2   6   3   6   8   8   7   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    41    50  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    50  
   35    39    40    41    50  
   39    40    41    50  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    47  
   41    42    43    45    50  
   42    43    44    45    46    49    50    47    48  
   43    44    45    50    47  
   44    45    46    49    51    63    50    47    48  
   45    46    49    50    47    48  
   46    49    51    52    53    54    62    63    50    47    48  
   49    51    63    50    47  
   48    49    50  
    0  
   51    52    53    54    55    60    62    63    50  
   51    63  
   52    53    54    55    62    63  
   53    54    63  
   54    55    56    62    63    57  
   55    56    60    62    63    57    58    59  
   56    60    61    62    63    57    58    59  
   60    61    62    63    57    58    59  
   58    59    60    63  
   59  
    0  
   61    62    63  
   62    63  
   63  
    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   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   50   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   53   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   54   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   57   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   58   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   59   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   62   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   63   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    50   320.000  1.410
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   250.000  1.527
   43    47   320.000  1.410
   45    46   340.000  1.090
   45    49   275.000  1.479
   45    50   320.000  1.380
   49    51   440.000  1.371
   49    63   436.000  1.374
   51    52   367.000  1.080
   51    53   529.000  1.304
   53    54   414.000  1.391
   54    55   469.000  1.404
   54    63   447.000  1.419
   55    56   483.000  1.339
   55    57   481.000  1.340
   56    60   502.000  1.324
   60    61   367.000  1.080
   60    62   502.000  1.324
   62    63   461.000  1.354
   57    58   434.000  1.010
   57    59   434.000  1.010
   47    48   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    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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    50    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    70.00000  116.00000
   39    50    45    60.00000  109.50000
   41    39    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    63.00000  111.10000
   41    43    47    90.00000  109.61100
   43    41    42    80.00000  120.40000
   43    45    46    45.00000  112.01100
   43    45    49    75.00000  107.44000
   43    45    50    90.00000  108.56700
   43    47    48    55.00000  108.50000
   45    43    44    45.00000  108.72000
   45    49    51    70.00000  128.80000
   45    49    63    70.00000  125.80000
   49    45    46    55.00000  103.44000
   49    51    52    35.00000  123.05000
   49    51    53    70.00000  113.90000
   49    63    54    70.00000  106.20000
   49    63    62    70.00000  126.20000
   51    53    54    70.00000  103.80000
   53    51    52    35.00000  123.05000
   53    54    55    70.00000  132.40000
   53    54    63    70.00000  110.40000
   54    55    56    70.00000  117.30000
   54    55    57    70.00000  123.50000
   54    63    62    70.00000  127.70000
   55    56    60    70.00000  118.60000
   55    57    58    35.00000  120.00000
   55    57    59    35.00000  120.00000
   56    60    61    35.00000  115.45000
   56    60    62    70.00000  129.10000
   60    62    63    70.00000  111.00000
   62    60    61    35.00000  115.45000
   63    49    51    70.00000  105.40000
   63    54    55    85.00000  116.20000
   57    55    56    70.00000  119.30000
   59    57    58    35.00000  120.00000
   50    39    40    35.00000  109.50000
   50    39    41    90.00000  108.74100
   50    45    46    35.00000  109.50000
   50    45    49   105.00000  106.22000
   47    43    44    35.00000  109.50000
   47    43    45    90.00000  111.58700
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   0.01700  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   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    50   0.56750  1.0 1.0
   29    33    39    50  -0.07550 -1.0 2.0
   29    33    39    50   0.20000  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.60050  1.0 1.0
   33    39    41    43   0.05600 -1.0 2.0
   33    39    41    43   0.26150  1.0 3.0
   33    39    50    45   0.06250  1.0 1.0
   33    39    50    45  -0.01100 -1.0 2.0
   33    39    50    45   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    50   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    50   0.23400  1.0 3.0
   39    41    43    44   0.00000  1.0 1.0
   39    41   -43    45   0.60050  1.0 1.0
   39    41   -43    45   0.05600 -1.0 2.0
   39    41   -43    45   0.26150  1.0 3.0
   39    41    43    47   0.55300  1.0 1.0
   39    41    43    47   1.25850 -1.0 2.0
   39    41    43    47  -0.23600  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    50    45   0.37050  1.0 3.0
   41    39   -50    45  -1.11000  1.0 1.0
   41    39   -50    45   0.50250 -1.0 2.0
   41    39   -50    45   0.47450  1.0 3.0
   41    43    45    46  -0.11250  1.0 3.0
   41    43    45    49  -2.10200  1.0 1.0
   41    43    45    49  -0.31600 -1.0 2.0
   41    43    45    49   0.13050  1.0 3.0
   41    43   -45    50  -0.09450  1.0 1.0
   41    43   -45    50  -1.12950 -1.0 2.0
   41    43   -45    50   0.54000  1.0 3.0
   41    43    47    48   0.91850  1.0 1.0
   41    43    47    48   0.57950  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.30150 -1.0 2.0
   42    41    43    47   0.30150 -1.0 2.0
   43    45    49    51   1.10250  1.0 1.0
   43    45    49    51   0.01650 -1.0 2.0
   43    45    49    51   0.39100  1.0 3.0
   43    45    49    63   1.10250  1.0 1.0
   43    45    49    63   0.01650 -1.0 2.0
   43    45    49    63   0.39100  1.0 3.0
   43    45   -50    39   0.06250  1.0 1.0
   43    45   -50    39  -0.01100 -1.0 2.0
   43    45   -50    39   0.28050  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    50   0.23400  1.0 3.0
   44    43    47    48   0.19450  1.0 3.0
   45    43    47    48  -0.11600  1.0 1.0
   45    43    47    48  -0.09450 -1.0 2.0
   45    43    47    48   0.21250  1.0 3.0
   45    49    51    52   3.62500 -1.0 2.0
   45    49    51    53   3.62500 -1.0 2.0
   45    49    63    54   0.81400  1.0 1.0
   45    49    63    54   1.55550 -1.0 2.0
   45    49    63    62   3.62500 -1.0 2.0
   46    45    49    51   0.00000  1.0 1.0
   46    45    49    63   0.00000  1.0 1.0
   46    45    50    39   0.37050  1.0 3.0
   49    45    50    39  -2.37750  1.0 1.0
   49    45    50    39  -0.08150 -1.0 2.0
   49    45    50    39   0.59000  1.0 3.0
   49    51   -53    54   3.62500 -1.0 2.0
   51    49   -63    54   0.70250  1.0 1.0
   51    49   -63    54   1.56150 -1.0 2.0
   51    49    63    62   3.62500 -1.0 2.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53   -54    63   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   53    54    55    56   3.62500 -1.0 2.0
   53    54    55    57   3.62500 -1.0 2.0
   53    54   -63    49   3.62500 -1.0 2.0
   53    54    63    62   3.62500 -1.0 2.0
   54    55    56    60   3.62500 -1.0 2.0
   54    55    57    58   0.70000 -1.0 2.0
   54    55    57    59   0.70000 -1.0 2.0
   55    54    63    49   3.00000 -1.0 2.0
   55    54    63    62   3.62500 -1.0 2.0
   55    56    60    61   3.62500 -1.0 2.0
   55    56   -60    62   3.62500 -1.0 2.0
   56    55    57    58   0.70000 -1.0 2.0
   56    55    57    59   0.70000 -1.0 2.0
   56    60    62    63   3.62500 -1.0 2.0
   60    62    63    49   3.62500 -1.0 2.0
   60    62   -63    54   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   63    49    51    52   3.62500 -1.0 2.0
   63    49   -51    53   3.62500 -1.0 2.0
   63    54   -55    56   3.62500 -1.0 2.0
   63    54    55    57   3.62500 -1.0 2.0
   57    55    56    60   3.62500 -1.0 2.0
   50    39    41    42   0.30150 -1.0 2.0
   50    39   -41    43   0.55300  1.0 1.0
   50    39   -41    43   1.25850 -1.0 2.0
   50    39   -41    43  -0.23600  1.0 3.0
   50    45    49    51   0.10350  1.0 1.0
   50    45    49    51  -0.15350 -1.0 2.0
   50    45    49    63   0.10350  1.0 1.0
   50    45    49    63  -0.15350 -1.0 2.0
   47    43    45    46   0.23400  1.0 3.0
   47    43    45    49   2.76900  1.0 1.0
   47    43    45    49  -0.24350 -1.0 2.0
   47    43    45    49  -0.78250  1.0 3.0
   47    43    45    50   3.69350  1.0 1.0
   47    43    45    50  -1.82950 -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
   39    43    41    42  10.50000 -1.0 2.0
   51    63    49    45   4.00000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   55    63    54    53   4.00000 -1.0 2.0
   56    57    55    54   4.00000 -1.0 2.0
   62    61    60    56   1.10000 -1.0 2.0
   54    62    63    49   4.00000 -1.0 2.0
   59    55    57    58   1.00000 -1.0 2.0
END
