* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    118    179     343
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02001    63.40284    76.89118
    3     1 S   H    _H1_     3     1.02106    48.98120  -127.63539
    4     1 S   H    _H2_     4     1.02080   105.84060   -26.44286
    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     1.81557    98.13435  -178.23830
   34    33 S   HC   _H5_    37     1.09658   107.77860    41.89722
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C9_    38     1.51640   112.63638   -80.00980
   39    38 S   HC   _H4_    39     1.09768   112.00181   -39.81398
   40    38 S   CO   _C8_    40     1.52186   101.72315  -158.88688
   41    40 S   HC   _H3_    41     1.09524   112.45842   -91.28917
   42    38 S   OS   _O37    61     1.41576   111.38222    82.54637
   43    40 S   N*   _N4_    42     1.43565   112.22042   147.56425
   44    40 S   OS   _O35    53     1.43501   107.22255    27.93720
   45    42 S   P2   _P1_    62     1.63901   118.01359  -160.02573
   46    45 S   O2Z  _O39    63     1.51662   107.08748    55.24084
   47    45 S   O2Z  _O38    64     1.51742   107.98291  -175.80315
   48    45 S   HP   _H13    65     1.41145    97.11320   -59.97536
   49    43 S   CM   _C5_    43     1.39033   118.63900   -55.96570
   50    49 S   HC   _H8_    44     1.08470   115.44707    -0.00000
   51    33 S   CT   _C11    54     1.52392   113.03646   165.71351
   52    51 S   HC   _H6_    55     1.09736   111.73859    41.14434
   53    49 S   CM   _C4_    45     1.33462   124.08537   179.97202
   54    53 S   HC   _H7_    46     1.08291   121.92272  -179.90721
   55    51 S   CT   _C12    56     1.51910   113.99512   -83.89961
   56    55 S   HC   _H10    57     1.09245   110.26338    60.05905
   57    55 S   HC   _H11    58     1.09206   110.30008   -60.91143
   58    53 S   C    _C7_    47     1.47685   119.25425     0.01978
   59    58 S   O    _O34    48     1.22708   120.82965   180.00000
   60    55 S   OH   _O36    59     1.41792   108.74798   179.55501
   61    60 S   HO   _H12    60     0.97269   106.91445  -179.97202
   62    58 S   NNB  _N5_    49     1.38549   114.64746    -0.00000
   63    62 S   H    _H9_    50     1.01597   116.72431   179.97202
   64    43 S   C    _C6_    51     1.41579   121.31439   124.04701
   65    64 S   O    _O33    52     1.23260   123.69006    -0.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  15   7  14   6   7  11   8   3   2   1   1
   8   4   6   4   6   3   4   3   2   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    51    52    55    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    44    51    52    55    56    57    60    42    45  
   38    39    40    44    51    52    55    42  
   36    37  
   37  
    0  
   39    40    41    43    49    64    44    51    52    55    42    45    46    47    48  
   40    41    43    44    51    42    45  
   41    43    49    50    53    62    64    65    44    51    52    55    42    45  
   43    49    64    44    51    42  
   45    46    47    48    43    44    51  
   49    50    53    54    58    62    63    64    65    44    51  
   51    52    55    56    57    60    49    64  
   46    47    48  
   47    48  
   48  
    0  
   50    53    54    58    59    62    64    65  
   53    54    58    64  
   52    55    56    57    60    61  
   55    56    57    60  
   54    58    59    62    63    64  
   58    59    62  
   56    57    60    61  
   57    60    61  
   60    61  
   59    62    63    64    65  
   62    63    64  
   61  
    0  
   63    64    65  
   64    65  
   65  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.510000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.2500   0.1700  -0.600000   1.8100   1.6000   0.054801302  -1.445846770
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.7400   0.2000   1.352500   2.1070   1.8700   0.005000000   0.000000000
   46   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.5000   0.0300  -0.002500   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0800   0.080000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0800  -0.070000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.450000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.420000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.2500   0.1700  -0.510000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.360000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.400000   1.5250   1.4250   0.001000000  -1.480495490
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   250.000  1.527
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   275.000  1.479
   40    44   320.000  1.380
   43    49   448.000  1.365
   43    64   418.000  1.388
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    54   340.000  1.080
   53    58   410.000  1.444
   58    59   570.000  1.229
   58    62   418.000  1.388
   62    63   434.000  1.010
   62    64   418.000  1.388
   64    65   570.000  1.229
   44    51   320.000  1.410
   51    52   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   320.000  1.410
   60    61   553.000  0.945
   42    45   230.000  1.697
   45    46   525.000  1.480
   45    47   525.000  1.480
   45    48   210.000  1.425
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    75.00000  109.43000
   33    38    42    50.00000  109.50000
   33    51    44    50.00000  109.50000
   33    51    52    37.50000  110.70000
   33    51    55    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    45.00000  112.01100
   38    40    43    75.00000  107.44000
   38    40    44    90.00000  108.56700
   38    42    45   100.00000  120.50000
   40    38    39    45.00000  108.72000
   40    43    49    70.00000  121.20000
   40    43    64    70.00000  117.60000
   40    44    51    60.00000  109.50000
   43    40    41    55.00000  103.44000
   43    49    50    35.00000  119.10000
   43    49    53    70.00000  121.20000
   43    64    62    70.00000  118.60000
   43    64    65    80.00000  120.60000
   49    53    54    35.00000  120.00000
   49    53    58    70.00000  118.70000
   53    49    50    35.00000  120.00000
   53    58    59    80.00000  125.30000
   53    58    62    70.00000  114.10000
   58    53    54    35.00000  119.70000
   58    62    63    35.00000  116.80000
   58    62    64    70.00000  126.40000
   62    58    59    80.00000  120.60000
   62    64    65    80.00000  120.60000
   64    43    49    70.00000  121.60000
   64    62    63    35.00000  116.80000
   44    40    41    35.00000  109.50000
   44    40    43   105.00000  106.22000
   44    51    52    35.00000  109.50000
   44    51    55    50.00000  109.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    60    50.00000  109.50000
   55    51    52    37.50000  110.70000
   55    60    61    55.00000  108.50000
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  109.38000
   42    45    46   100.00000  108.23000
   42    45    47   100.00000  108.23000
   42    45    48    60.00000   98.85000
   47    45    46   140.00000  119.90000
   48    45    46    55.00000  110.24000
   48    45    47    55.00000  110.24000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    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
   29    33    51    44   0.56750  1.0 1.0
   29    33    51    44  -0.07550 -1.0 2.0
   29    33    51    44   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    55   0.44750  1.0 1.0
   29    33    51    55  -0.17800 -1.0 2.0
   29    33    51    55   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43  -0.27100  1.0 1.0
   33    38    40    43  -0.01700 -1.0 2.0
   33    38    40    43  -0.48600  1.0 3.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    42    45  -2.65550  1.0 1.0
   33    38    42    45  -0.22350 -1.0 2.0
   33    38    42    45   0.24150  1.0 3.0
   33    51    55    56   0.15000  1.0 3.0
   33    51    55    57   0.15000  1.0 3.0
   33    51    55    60   0.86500  1.0 1.0
   33    51    55    60  -0.17500 -1.0 2.0
   33    51    55    60   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    51    44   0.23400  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    55   0.15000  1.0 3.0
   38    33   -51    44   0.62750  1.0 1.0
   38    33   -51    44  -0.30950 -1.0 2.0
   38    33   -51    44   0.27300  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    55   0.56750  1.0 1.0
   38    33    51    55  -0.07550 -1.0 2.0
   38    33    51    55   0.20000  1.0 3.0
   38    40    43    49   2.08450  1.0 1.0
   38    40    43    49  -0.39300 -1.0 2.0
   38    40    43    49   0.23400  1.0 3.0
   38    40    43    64  -0.43950  1.0 1.0
   38    40    43    64  -0.08100 -1.0 2.0
   38    40    43    64   0.03350  1.0 3.0
   38    40   -44    51   0.06250  1.0 1.0
   38    40   -44    51  -0.01100 -1.0 2.0
   38    40   -44    51   0.28050  1.0 3.0
   38    42    45    46   0.00000  1.0 1.0
   38    42    45    47   0.00000  1.0 1.0
   38    42    45    48   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    42    45   0.03000  1.0 3.0
   40    38    42    45  -2.65550  1.0 1.0
   40    38    42    45  -0.22350 -1.0 2.0
   40    38    42    45   0.24150  1.0 3.0
   40    43    49    50   1.88100 -1.0 2.0
   40    43    49    53  -0.88150  1.0 1.0
   40    43    49    53   2.95600 -1.0 2.0
   40    43    64    62   3.62500 -1.0 2.0
   40    43    64    65   3.04450 -1.0 2.0
   40    44   -51    33   0.06250  1.0 1.0
   40    44   -51    33  -0.01100 -1.0 2.0
   40    44   -51    33   0.28050  1.0 3.0
   40    44    51    52   0.37050  1.0 3.0
   40    44    51    55   0.06250  1.0 1.0
   40    44    51    55  -0.01100 -1.0 2.0
   40    44    51    55   0.28050  1.0 3.0
   41    40    43    49   0.00000  1.0 1.0
   41    40    43    64   0.00000  1.0 1.0
   41    40    44    51   0.37050  1.0 3.0
   43    40    44    51  -2.37750  1.0 1.0
   43    40    44    51  -0.08150 -1.0 2.0
   43    40    44    51   0.59000  1.0 3.0
   43    49    53    54   7.00000 -1.0 2.0
   43    49    53    58   7.00000 -1.0 2.0
   49    43    64    62   3.62500 -1.0 2.0
   49    43    64    65   2.67200 -1.0 2.0
   49    53    58    59   1.00000 -1.0 2.0
   49    53   -58    62   1.50000 -1.0 2.0
   50    49    53    54   7.00000 -1.0 2.0
   50    49    53    58   7.00000 -1.0 2.0
   53    58    62    63   1.52500 -1.0 2.0
   53    58    62    64   7.00000 -1.0 2.0
   54    53    58    59   0.00000  1.0 1.0
   54    53    58    62   7.00000 -1.0 2.0
   58    62   -64    43   3.00000 -1.0 2.0
   58    62    64    65   3.04450 -1.0 2.0
   59    58    62    63   2.45000 -1.0 2.0
   59    58    62    64   3.04450 -1.0 2.0
   63    62    64    43   2.56700 -1.0 2.0
   63    62    64    65   2.45000 -1.0 2.0
   64    43    49    50   1.44600  1.0 1.0
   64    43   -49    53  -0.18900  1.0 1.0
   64    43   -49    53   1.70900 -1.0 2.0
   44    40    43    49  -0.28000  1.0 1.0
   44    40    43    49  -1.16550 -1.0 2.0
   44    40    43    64  -2.75650  1.0 1.0
   44    40    43    64  -1.18150 -1.0 2.0
   44    40    43    64   0.81900  1.0 3.0
   44    51    55    56   0.23400  1.0 3.0
   44    51    55    57   0.23400  1.0 3.0
   44    51    55    60   3.69350  1.0 1.0
   44    51    55    60  -1.82950 -1.0 2.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   3.97050  1.0 1.0
   51    33    38    42   0.62750  1.0 1.0
   51    33    38    42  -0.30950 -1.0 2.0
   51    33    38    42   0.27300  1.0 3.0
   51    55    60    61  -0.11600  1.0 1.0
   51    55    60    61  -0.09450 -1.0 2.0
   51    55    60    61   0.21250  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    60   0.23400  1.0 3.0
   56    55    60    61   0.19450  1.0 3.0
   57    55    60    61   0.19450  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43  -0.86350  1.0 1.0
   42    38    40    43   0.04750 -1.0 2.0
   42    38    40    44   1.11900  1.0 1.0
   42    38    40    44  -1.16350 -1.0 2.0
   42    38    40    44  -0.34150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   49    64    43    40   1.00000 -1.0 2.0
   43    50    49    53   1.10000 -1.0 2.0
   58    54    53    49   1.10000 -1.0 2.0
   53    62    58    59  10.50000 -1.0 2.0
   63    58    62    64   1.00000 -1.0 2.0
   43    62    64    65  10.50000 -1.0 2.0
END
