* LIGAND DATABASE FILE (OPLS2005)
*
001      71    75    141    226     399
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02028   105.74259    -1.19025
    3     1 S   H    _H1_     3     1.02127    48.40759   100.09492
    4     1 S   H    _H2_     4     1.02117    64.11720  -104.68974
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08611   110.43906    58.89593
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   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     1.78779    99.21587  -178.18663
   34    33 S   HC   _H6_    37     1.10120   103.16813    63.39435
   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   CM   _C11    38     1.49242   120.15804   180.00000
   39    38 S   CM   _C12    39     1.34087   104.90269   160.31507
   40    38 S   C3T  _C13    59     1.46390   127.36191   -22.39316
   41    40 S   HC   _H7_    60     1.08636   112.98115  -130.61997
   42    39 S   OS   _O33    40     1.40004   115.34039    -4.70798
   43    69 S   O3T  _O36    61     1.43556   114.01199   131.50834
   44    39 S   OH   _O34    70     1.36926   124.23312   176.38757
   45    44 S   HO   _H15    71     0.96597   110.44643  -179.95577
   46    33 S   CT   _C9_    41     1.54416   119.46905   -55.27817
   47    46 S   HC   _H5_    42     1.09784   107.64743    75.98813
   48    46 S   CT   _C8_    43     1.57250   125.80302   -56.02624
   49    48 S   HC   _H4_    44     1.09684   108.58156   -99.40039
   50    48 S   CM   _C16    45     1.50014   111.74319   146.87691
   51    50 S   CO4  _C18    46     1.46941   110.74516  -132.55234
   52    51 S   O    _O37    47     1.21831   127.13408  -179.73239
   53    50 S   CM   _C17    67     1.33708   128.69293    48.66071
   54    53 S   HC   _H16    68     1.08255   120.58993    -1.26965
   55    53 S   HC   _H17    69     1.08222   120.65705   178.61153
   56    51 S   OS   _O38    48     1.35517   107.26250    -0.17017
   57    48 S   CT   _C7_    49     1.53270   121.20708    27.27898
   58    57 S   HC   _H3_    50     1.08360   113.63372    11.74053
   59    57 S   CT   _C6_    51     1.54167   114.30798  -114.35409
   60    59 S   HC   _H13    52     1.09905   108.26679  -179.95577
   61    59 S   HC   _H14    53     1.09720   109.79328   -66.31374
   62    59 S   C3T  _C5_    54     1.49083   113.08816    57.26125
   63    62 S   C3T  _C15    55     1.51024   120.40638    74.70847
   64    63 S   HC   _H9_    56     1.08604   117.47020     1.05313
   65    62 S   CT   _C4_    63     1.49358   115.50745   -90.70634
   66    65 S   HC   _H10    64     1.10118   111.43245  -179.96044
   67    65 S   HC   _H11    65     1.09988   111.49303    60.08812
   68    65 S   HC   _H12    66     1.09998   111.46770   -60.04848
   69    63 S   C3T  _C14    57     1.52050   120.97277  -150.64876
   70    69 S   HC   _H8_    58     1.08535   115.73890   -89.71343
   71    62 S   O3T  _O35    62     1.42962   116.71169   142.27110
  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   9   5   4   3
  15   7   2   1   1  13  10  11   4   8   6   2   1  10   4  14
   7   9   8   3   4   1   1   6   8   4  11   5   4   9   8   4
   5   3   2   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    46    47    48    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    47    48    49    50    57    69    40    41    43    44  
   38    39    42    46    47    48    40  
   36    37  
   37  
    0  
   39    42    46    47    48    63    69    70    40    41    43    44    45  
   42    46    47    48    69    40    41    43    44    45  
   41    43    71    44    42    46    62    63    64    69    70  
   43    63    69    70  
   46    47    48    49    50    57    44    45  
   71    62    63    64    69    70  
   45    46  
    0  
   47    48    49    50    51    56    57    58    59    53  
   48    49    50    57  
   49    50    51    52    56    57    58    59    60    61    62    53    54    55  
   50    51    56    57    58    59    53  
   51    52    56    57    58    59    53    54    55  
   52    56    57    58    59    53    54    55  
   56    57    53  
   54    55    56    57  
   55  
    0  
   57    58    59    60    61    62  
   58    59    60    61    62    63    71    65  
   59    60    61    62  
   60    61    62    63    64    69    71    65    66    67    68  
   61    62    63    71    65  
   62    63    71    65  
   63    64    69    70    71    65    66    67    68  
   64    69    70    71    65    66    67    68  
   69    70    71    65  
   66    67    68    69    71  
   67    68    71  
   68    71  
   71  
   70    71  
   71  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   43   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
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   317.000  1.510
   33    46   268.000  1.529
   38    39   549.000  1.340
   38    40   305.000  1.480
   39    42   440.000  1.360
   39    44   510.000  1.338
   42    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   317.000  1.510
   48    57   268.000  1.529
   50    51   320.000  1.462
   50    53   549.000  1.340
   51    52   570.000  1.229
   51    56   214.000  1.327
   56    57   320.000  1.410
   57    58   340.000  1.090
   57    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   275.000  1.510
   62    63   260.000  1.509
   62    71   335.000  1.432
   62    65   275.000  1.510
   63    64   340.000  1.088
   63    69   260.000  1.509
   63    71   335.000  1.432
   69    70   340.000  1.088
   69    40   260.000  1.509
   69    43   335.000  1.432
   40    41   340.000  1.088
   40    43   335.000  1.432
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   53    54   340.000  1.080
   53    55   340.000  1.080
   44    45   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    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  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    46    42    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    42    80.00000  120.01400
   38    39    44    80.00000  121.38400
   38    40    69    60.00000  120.58800
   38    40    41    40.00000  112.45000
   38    40    43    85.00000  114.23300
   39    42    46    90.00000  111.18400
   39    44    45    70.00000  107.45700
   42    46    47    35.00000  109.50000
   42    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    48    49    37.50000  110.70000
   46    48    50    70.00000  112.02700
   46    48    57    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    50    51    65.00000  116.34900
   48    50    53    70.00000  124.00000
   48    57    56    50.00000  109.50000
   48    57    58    37.50000  110.70000
   48    57    59    58.35000  112.70000
   50    48    49    35.00000  109.50000
   50    51    52    80.00000  123.72100
   50    51    56    90.00000  111.29400
   50    53    54    35.00000  120.00000
   50    53    55    35.00000  120.00000
   51    56    57    83.00000  116.90000
   56    51    52    83.00000  123.40000
   56    57    58    35.00000  109.50000
   56    57    59    50.00000  109.50000
   57    48    49    37.50000  110.70000
   57    48    50    70.00000  112.02700
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    62    70.00000  112.37300
   59    57    58    37.50000  110.70000
   59    62    63    60.00000  120.94000
   59    62    71    80.00000  116.47100
   59    62    65    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    45.00000  109.38400
   62    59    61    45.00000  109.38400
   62    63    64    37.50000  117.20000
   62    63    69    60.00000  120.94000
   62    63    71    15.00000   60.43100
   62    71    63    15.00000   59.14900
   62    65    66    45.00000  109.38400
   62    65    67    45.00000  109.38400
   62    65    68    45.00000  109.38400
   63    69    70    37.50000  117.20000
   63    69    40    60.00000  120.94000
   63    69    43    80.00000  116.47100
   69    63    64    37.50000  117.20000
   69    40    41    37.50000  117.20000
   69    40    43    15.00000   60.43100
   69    43    40    15.00000   59.14900
   40    38    39    55.00000  125.06700
   40    69    70    37.50000  117.20000
   43    69    70    50.00000  114.27700
   43    69    40    15.00000   60.43100
   43    40    41    50.00000  114.27700
   71    62    63    15.00000   60.43100
   71    63    64    50.00000  114.27700
   71    63    69    80.00000  116.47100
   65    62    63    60.00000  120.94000
   65    62    71    80.00000  116.47100
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   53    50    51    65.00000  118.96000
   55    53    54    35.00000  117.00000
   44    39    42   115.00000  116.36000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    46    42   0.56750  1.0 1.0
   29    33    46    42  -0.07550 -1.0 2.0
   29    33    46    42   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38   -39    42   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    40    69   0.46850  1.0 1.0
   33    38    40    69   0.08550 -1.0 2.0
   33    38    40    69   0.09800  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    43   0.09700  1.0 1.0
   33    38    40    43   0.15600 -1.0 2.0
   33    38    40    43  -0.50800  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.34400  1.0 1.0
   33    46    48    50   0.09450 -1.0 2.0
   33    46    48    50   0.11100  1.0 3.0
   33    46    48    57   0.56750  1.0 1.0
   33    46    48    57  -0.07550 -1.0 2.0
   33    46    48    57   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    46    42   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    42   0.61850  1.0 1.0
   38    33   -46    42  -0.22750 -1.0 2.0
   38    33   -46    42   0.15300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.34400  1.0 1.0
   38    33    46    48   0.09450 -1.0 2.0
   38    33    46    48   0.11100  1.0 3.0
   38    39   -42    46  -2.26850  1.0 1.0
   38    39   -42    46   3.39050 -1.0 2.0
   38    39    44    45  -0.66100  1.0 1.0
   38    39    44    45   1.20850 -1.0 2.0
   38    39    44    45  -0.36000  1.0 3.0
   38    40   -43    69  -0.77900  1.0 1.0
   38    40   -43    69  -0.36900 -1.0 2.0
   38    40   -43    69   0.40400  1.0 3.0
   39    38    40    69   0.09850  1.0 1.0
   39    38    40    69   0.15250 -1.0 2.0
   39    38    40    69  -0.50650  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.39000  1.0 1.0
   39    38    40    43  -0.05800 -1.0 2.0
   39    38    40    43  -0.55150  1.0 3.0
   39    42   -46    33  -0.46850  1.0 1.0
   39    42   -46    33   0.09300 -1.0 2.0
   39    42   -46    33  -0.12850  1.0 3.0
   39    42    46    47   0.08050  1.0 3.0
   39    42    46    48  -0.46850  1.0 1.0
   39    42    46    48   0.09300 -1.0 2.0
   39    42    46    48  -0.12850  1.0 3.0
   42    39    44    45   2.00000 -1.0 2.0
   42    46    48    49   0.23400  1.0 3.0
   42    46    48    50   0.61850  1.0 1.0
   42    46    48    50  -0.22750 -1.0 2.0
   42    46    48    50   0.15300  1.0 3.0
   42    46    48    57   0.62750  1.0 1.0
   42    46    48    57  -0.30950 -1.0 2.0
   42    46    48    57   0.27300  1.0 3.0
   46    33   -38    39   0.09850  1.0 1.0
   46    33   -38    39   0.15250 -1.0 2.0
   46    33   -38    39  -0.50650  1.0 3.0
   46    33    38    40   0.46850  1.0 1.0
   46    33    38    40   0.08550 -1.0 2.0
   46    33    38    40   0.09800  1.0 3.0
   46    48    50    51   0.09700  1.0 1.0
   46    48    50    51   0.15600 -1.0 2.0
   46    48    50    51  -0.50800  1.0 3.0
   46    48    50    53   0.09850  1.0 1.0
   46    48    50    53   0.15250 -1.0 2.0
   46    48    50    53  -0.50650  1.0 3.0
   46    48    57    56   0.62750  1.0 1.0
   46    48    57    56  -0.30950 -1.0 2.0
   46    48    57    56   0.27300  1.0 3.0
   46    48    57    58   0.15000  1.0 3.0
   46    48    57    59   0.56750  1.0 1.0
   46    48    57    59  -0.07550 -1.0 2.0
   46    48    57    59   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    57   0.15000  1.0 3.0
   48    50    51    52  -0.64400  1.0 1.0
   48    50    51    52   0.26850 -1.0 2.0
   48    50   -51    56  -0.15000  1.0 1.0
   48    50   -51    56   0.89550 -1.0 2.0
   48    50   -51    56  -0.06900  1.0 3.0
   48    50    53    54   7.00000 -1.0 2.0
   48    50    53    55   7.00000 -1.0 2.0
   48    57    59    60   0.15000  1.0 3.0
   48    57    59    61   0.15000  1.0 3.0
   48    57    59    62   0.47050  1.0 1.0
   48    57    59    62   0.03900 -1.0 2.0
   48    57    59    62   0.20100  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53   0.00000  1.0 1.0
   49    48    57    56   0.23400  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    59   0.15000  1.0 3.0
   50    48   -57    56   0.61850  1.0 1.0
   50    48   -57    56  -0.22750 -1.0 2.0
   50    48   -57    56   0.15300  1.0 3.0
   50    48    57    58   0.15000  1.0 3.0
   50    48    57    59   0.34400  1.0 1.0
   50    48    57    59   0.09450 -1.0 2.0
   50    48    57    59   0.11100  1.0 3.0
   50    51   -56    57   2.00000 -1.0 2.0
   51    50    53    54   7.00000 -1.0 2.0
   51    50    53    55   7.00000 -1.0 2.0
   51    56   -57    48  -0.25900  1.0 1.0
   51    56   -57    48  -0.47000 -1.0 2.0
   51    56   -57    48   0.11750  1.0 3.0
   51    56    57    58   0.08050  1.0 3.0
   51    56    57    59  -0.25900  1.0 1.0
   51    56    57    59  -0.47000 -1.0 2.0
   51    56    57    59   0.11750  1.0 3.0
   52    51    56    57   3.00000 -1.0 2.0
   56    57    59    60   0.23400  1.0 3.0
   56    57    59    61   0.23400  1.0 3.0
   56    57    59    62  -0.26800  1.0 1.0
   56    57    59    62   0.69150 -1.0 2.0
   56    57    59    62  -0.48750  1.0 3.0
   57    48   -50    51   0.09700  1.0 1.0
   57    48   -50    51   0.15600 -1.0 2.0
   57    48   -50    51  -0.50800  1.0 3.0
   57    48    50    53   0.09850  1.0 1.0
   57    48    50    53   0.15250 -1.0 2.0
   57    48    50    53  -0.50650  1.0 3.0
   57    59    62    63   0.07850  1.0 1.0
   57    59    62    63  -0.03950 -1.0 2.0
   57    59    62    63   0.67350  1.0 3.0
   57    59    62    71   0.02550  1.0 1.0
   57    59    62    71  -0.02600 -1.0 2.0
   57    59    62    71   1.20400  1.0 3.0
   57    59    62    65   0.56750  1.0 1.0
   57    59    62    65  -0.07550 -1.0 2.0
   57    59    62    65   0.20000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   59    62    63    64   0.15000  1.0 3.0
   59    62    63    69   0.07850  1.0 1.0
   59    62    63    69  -0.03950 -1.0 2.0
   59    62    63    69   0.67350  1.0 3.0
   59    62   -63    71   0.02550  1.0 1.0
   59    62   -63    71  -0.02600 -1.0 2.0
   59    62   -63    71   1.20400  1.0 3.0
   59    62   -71    63   0.06250  1.0 1.0
   59    62   -71    63  -0.01100 -1.0 2.0
   59    62   -71    63   0.28050  1.0 3.0
   59    62    65    66   0.15000  1.0 3.0
   59    62    65    67   0.15000  1.0 3.0
   59    62    65    68   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    71   0.23400  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    71   0.23400  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   62    63    69    70   0.15000  1.0 3.0
   62    63    69    40   0.07850  1.0 1.0
   62    63    69    40  -0.03950 -1.0 2.0
   62    63    69    40   0.67350  1.0 3.0
   62    63    69    43   0.02550  1.0 1.0
   62    63    69    43  -0.02600 -1.0 2.0
   62    63    69    43   1.20400  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    69    40    38   0.34400  1.0 1.0
   63    69    40    38   0.09450 -1.0 2.0
   63    69    40    38   0.11100  1.0 3.0
   63    69    40    41   0.15000  1.0 3.0
   63    69   -40    43   0.02550  1.0 1.0
   63    69   -40    43  -0.02600 -1.0 2.0
   63    69   -40    43   1.20400  1.0 3.0
   63    69   -43    40   0.06250  1.0 1.0
   63    69   -43    40  -0.01100 -1.0 2.0
   63    69   -43    40   0.28050  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    40   0.15000  1.0 3.0
   64    63    69    43   0.23400  1.0 3.0
   64    63   -71    62   0.36800  1.0 3.0
   69    63   -71    62   0.06250  1.0 1.0
   69    63   -71    62  -0.01100 -1.0 2.0
   69    63   -71    62   0.28050  1.0 3.0
   70    69    40    38   0.15000  1.0 3.0
   70    69    40    41   0.15000  1.0 3.0
   70    69   -40    43   0.23400  1.0 3.0
   70    69   -43    40   0.36800  1.0 3.0
   40    38    39    42   7.00000 -1.0 2.0
   40    38    39    44   7.00000 -1.0 2.0
   41    40   -43    69   0.36800  1.0 3.0
   43    69   -40    38   0.61850  1.0 1.0
   43    69   -40    38  -0.22750 -1.0 2.0
   43    69   -40    38   0.15300  1.0 3.0
   43    69   -40    41   0.23400  1.0 3.0
   71    62   -63    64   0.23400  1.0 3.0
   71    62   -63    69   0.02550  1.0 1.0
   71    62   -63    69  -0.02600 -1.0 2.0
   71    62   -63    69   1.20400  1.0 3.0
   71    62    65    66   0.23400  1.0 3.0
   71    62    65    67   0.23400  1.0 3.0
   71    62    65    68   0.23400  1.0 3.0
   71    63    69    70   0.23400  1.0 3.0
   71    63    69    40   0.02550  1.0 1.0
   71    63    69    40  -0.02600 -1.0 2.0
   71    63    69    40   1.20400  1.0 3.0
   71    63    69    43   1.11900  1.0 1.0
   71    63    69    43  -1.16350 -1.0 2.0
   71    63    69    43  -0.34150  1.0 3.0
   65    62    63    64   0.15000  1.0 3.0
   65    62    63    69   0.07850  1.0 1.0
   65    62    63    69  -0.03950 -1.0 2.0
   65    62    63    69   0.67350  1.0 3.0
   65    62   -63    71   0.02550  1.0 1.0
   65    62   -63    71  -0.02600 -1.0 2.0
   65    62   -63    71   1.20400  1.0 3.0
   65    62   -71    63   0.06250  1.0 1.0
   65    62   -71    63  -0.01100 -1.0 2.0
   65    62   -71    63   0.28050  1.0 3.0
   53    50    51    52   1.00000 -1.0 2.0
   53    50    51    56  -0.56150  1.0 1.0
   53    50    51    56   2.19150 -1.0 2.0
   44    39    42    46   2.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   42    44    39    38   1.10000 -1.0 2.0
   48    51    50    53   1.10000 -1.0 2.0
   50    56    51    52  10.50000 -1.0 2.0
   54    55    53    50   1.10000 -1.0 2.0
END
