* LIGAND DATABASE FILE (OPLS2005)
*
001      71    75    143    231     407
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02050    84.81228    48.34733
    3     1 S   H    _H1_     3     1.02172    33.87512  -176.28543
    4     1 S   H    _H2_     4     1.02110    95.12331   -60.01353
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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     1.84366    97.48176   161.83264
   34    33 S   HC   _H6_    37     1.08281   104.19549    43.87380
   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   _C11    38     1.52324   109.97610   -79.97714
   39    38 S   HC   _H7_    39     1.09658   111.73972    28.64571
   40    38 S   CO4  _C15    40     1.51387   100.59951   -86.18347
   41    40 S   O    _O35    41     1.22212   125.48642   162.52428
   42    38 S   C3T  _C12    61     1.50796   117.06087   155.68795
   43    42 S   HC   _H8_    62     1.08501   112.68591   125.85172
   44    40 S   OS   _O36    42     1.36802   110.08817   -19.78214
   45    69 S   O3T  _O34    63     1.43347   114.82256   156.30928
   46    33 S   CT   _C9_    43     1.52549   109.58235   166.12958
   47    46 S   HC   _H5_    44     1.09752   112.33203   -30.65125
   48    46 S   CT   _C8_    45     1.54928   114.24532  -155.68961
   49    48 S   HC   _H4_    46     1.09570   109.90161   -62.48631
   50    48 S   CM   _C16    47     1.49502   113.49000   177.40708
   51    50 S   CO4  _C18    48     1.46926   110.67486  -120.50237
   52    51 S   O    _O37    49     1.21932   127.03544   178.61619
   53    50 S   CM   _C17    69     1.33617   128.76068    62.36272
   54    53 S   HC   _H16    70     1.08283   120.63135    -3.14846
   55    53 S   HC   _H17    71     1.08276   120.67490   176.86506
   56    51 S   OS   _O38    50     1.35479   107.40015    -2.07764
   57    48 S   CT   _C7_    51     1.53792   112.67214    62.41754
   58    57 S   HC   _H3_    52     1.09556   111.31058     7.80864
   59    57 S   CT   _C6_    53     1.53845   114.25212  -118.37442
   60    59 S   HC   _H14    54     1.09771   109.50518  -143.67364
   61    59 S   HC   _H15    55     1.09705   110.72238   -28.38835
   62    59 S   C3T  _C5_    56     1.49636   112.08812    96.70882
   63    62 S   C3T  _C14    57     1.51357   123.49164   -92.70601
   64    63 S   HC   _H10    58     1.08842   115.76703   154.24604
   65    62 S   CT   _C4_    65     1.49290   115.98618    67.84214
   66    65 S   HC   _H11    66     1.10058   111.53983   179.97202
   67    65 S   HC   _H12    67     1.10138   111.47341    59.95994
   68    65 S   HC   _H13    68     1.10119   111.49475   -60.00406
   69    63 S   C3T  _C13    59     1.51079   124.95470    -0.77506
   70    69 S   HC   _H9_    60     1.08921   114.03551   -66.85895
   71    62 S   O3T  _O33    64     1.42963   114.46123  -159.96024
  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
  16   8   2   1   1  13   8   9   3  10   4   6   6  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    40    44    46    47    48    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    46    47    48    49    50    57    69    42    43    45  
   38    39    40    44    46    47    48    42  
   36    37  
   37  
    0  
   39    40    41    44    46    47    48    63    69    70    42    43    45  
   40    41    44    46    69    42    43    45  
   41    44    46    47    48    69    42    43    45  
   44    46    42  
   43    45    71    44    46    62    63    64    69    70  
   45    63    69    70  
   46    47    48    49    50    57  
   71    62    63    64    69    70  
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   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   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   275.000  1.510
   40    41   570.000  1.229
   40    44   214.000  1.327
   44    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    42   260.000  1.509
   69    45   335.000  1.432
   42    43   340.000  1.088
   42    45   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
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    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    70.00000  112.37300
   33    46    44    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    44    81.00000  111.40000
   38    42    69    60.00000  120.94000
   38    42    43    40.00000  115.04500
   38    42    45    80.00000  116.47100
   40    38    39    35.00000  109.50000
   40    44    46    83.00000  116.90000
   44    40    41    83.00000  123.40000
   44    46    47    35.00000  109.50000
   44    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   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    42    60.00000  120.94000
   63    69    45    80.00000  116.47100
   69    63    64    37.50000  117.20000
   69    42    43    37.50000  117.20000
   69    42    45    15.00000   60.43100
   69    45    42    15.00000   59.14900
   42    38    39    45.00000  109.38400
   42    38    40    63.00000  111.10000
   42    69    70    37.50000  117.20000
   45    69    70    50.00000  114.27700
   45    69    42    15.00000   60.43100
   45    42    43    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
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    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   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   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    40    41   0.30150 -1.0 2.0
   33    38   -40    44   0.36750  1.0 3.0
   33    38    42    69   0.07850  1.0 1.0
   33    38    42    69  -0.03950 -1.0 2.0
   33    38    42    69   0.67350  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    45   0.02550  1.0 1.0
   33    38    42    45  -0.02600 -1.0 2.0
   33    38    42    45   1.20400  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   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    46    44   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    44   0.62750  1.0 1.0
   38    33   -46    44  -0.30950 -1.0 2.0
   38    33   -46    44   0.27300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.56750  1.0 1.0
   38    33    46    48  -0.07550 -1.0 2.0
   38    33    46    48   0.20000  1.0 3.0
   38    40   -44    46   1.63150  1.0 1.0
   38    40   -44    46   2.92000 -1.0 2.0
   38    42   -45    69   0.06250  1.0 1.0
   38    42   -45    69  -0.01100 -1.0 2.0
   38    42   -45    69   0.28050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    69   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    45   0.23400  1.0 3.0
   40    38    42    69  -0.95700  1.0 1.0
   40    38    42    69  -0.18200 -1.0 2.0
   40    38    42    69   0.29450  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    45  -0.09450  1.0 1.0
   40    38    42    45  -1.12950 -1.0 2.0
   40    38    42    45   0.54000  1.0 3.0
   40    44   -46    33  -0.25900  1.0 1.0
   40    44   -46    33  -0.47000 -1.0 2.0
   40    44   -46    33   0.11750  1.0 3.0
   40    44    46    47   0.08050  1.0 3.0
   40    44    46    48  -0.25900  1.0 1.0
   40    44    46    48  -0.47000 -1.0 2.0
   40    44    46    48   0.11750  1.0 3.0
   41    40    44    46   3.00000 -1.0 2.0
   44    46    48    49   0.23400  1.0 3.0
   44    46    48    50   0.61850  1.0 1.0
   44    46    48    50  -0.22750 -1.0 2.0
   44    46    48    50   0.15300  1.0 3.0
   44    46    48    57   0.62750  1.0 1.0
   44    46    48    57  -0.30950 -1.0 2.0
   44    46    48    57   0.27300  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33   -38    40  -0.95700  1.0 1.0
   46    33   -38    40  -0.18200 -1.0 2.0
   46    33   -38    40   0.29450  1.0 3.0
   46    33    38    42   0.47050  1.0 1.0
   46    33    38    42   0.03900 -1.0 2.0
   46    33    38    42   0.20100  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    42   0.07850  1.0 1.0
   62    63    69    42  -0.03950 -1.0 2.0
   62    63    69    42   0.67350  1.0 3.0
   62    63    69    45   0.02550  1.0 1.0
   62    63    69    45  -0.02600 -1.0 2.0
   62    63    69    45   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    42    38   0.07850  1.0 1.0
   63    69    42    38  -0.03950 -1.0 2.0
   63    69    42    38   0.67350  1.0 3.0
   63    69    42    43   0.15000  1.0 3.0
   63    69   -42    45   0.02550  1.0 1.0
   63    69   -42    45  -0.02600 -1.0 2.0
   63    69   -42    45   1.20400  1.0 3.0
   63    69   -45    42   0.06250  1.0 1.0
   63    69   -45    42  -0.01100 -1.0 2.0
   63    69   -45    42   0.28050  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    42   0.15000  1.0 3.0
   64    63    69    45   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    42    38   0.15000  1.0 3.0
   70    69    42    43   0.15000  1.0 3.0
   70    69   -42    45   0.23400  1.0 3.0
   70    69   -45    42   0.36800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.36750  1.0 3.0
   43    42   -45    69   0.36800  1.0 3.0
   45    69   -42    38   0.02550  1.0 1.0
   45    69   -42    38  -0.02600 -1.0 2.0
   45    69   -42    38   1.20400  1.0 3.0
   45    69   -42    43   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    42   0.02550  1.0 1.0
   71    63    69    42  -0.02600 -1.0 2.0
   71    63    69    42   1.20400  1.0 3.0
   71    63    69    45   1.11900  1.0 1.0
   71    63    69    45  -1.16350 -1.0 2.0
   71    63    69    45  -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
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
   38    44    40    41  10.50000 -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
