* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    238     437
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02035    98.54684   -52.73484
    3     1 S   H    _H1_     3     1.02082    80.24573    54.87316
    4     1 S   H    _H2_     4     1.02110    36.00782  -162.83411
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   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   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01782
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.80758    98.57457   -78.12847
   34    33 S   HC   _H20    37     1.09385   109.22585   -59.25106
   35    33 S   HC   _H21    38     1.09272   109.42089    58.90167
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   39    33 S   CM   _C16    39     1.48867   110.03911   180.00000
   40    39 S   CM   _C17    40     1.33773   129.61927   120.33364
   41    40 S   OS   _O36    41     1.39069   114.81095  -178.35064
   42    40 S   OH   _O37    73     1.37081   126.05523     2.42245
   43    42 S   HO   _H19    74     0.96608   110.44761  -180.00000
   44    41 S   CT   _C6_    42     1.44684   103.55884    15.00089
   45    44 S   HC   _H3_    43     1.10183   104.98584    90.43313
   46    39 S   CT   _C7_    44     1.50182   121.51677   -59.10478
   47    46 S   HC   _H4_    45     1.09746   109.79468    49.53847
   48    44 S   CT   _C5_    65     1.53787   111.20182  -152.08275
   49    46 S   CT   _C8_    46     1.53996   111.44478   -71.60152
   50    49 S   HC   _H10    47     1.09967   108.00367    47.86066
   51    49 S   HC   _H11    48     1.09106   111.65225   -65.60914
   52    62 S   CT   _C11    66     1.50786   118.90567   -29.49706
   53    48 S   CT   _C4_    69     1.54764   112.89215    35.76000
   54    53 S   HC   _H7_    70     1.08206   108.75368    57.81340
   55    53 S   HC   _H8_    71     1.08119   108.79121   -62.14333
   56    53 S   HC   _H9_    72     1.08152   108.77698   177.76533
   57    49 S   CT   _C9_    49     1.53366   116.03909   165.55489
   58    57 S   HC   _H12    50     1.09782   108.34786  -176.90471
   59    57 S   HC   _H13    51     1.09893   105.89865   -64.79005
   60    52 S   OH   _O35    67     1.42746   108.85464   -74.83461
   61    60 S   HO   _H18    68     0.96927   106.35494   -60.03130
   62    57 S   CT   _C10    52     1.52878   120.94499    56.68816
   63    62 S   HC   _H5_    53     1.10358   103.95674  -147.99544
   64    62 S   CT   _C15    54     1.52366   118.30492    96.52013
   65    64 S   HC   _H16    55     1.09232   113.74936   -36.17469
   66    64 S   HC   _H17    56     1.09584   111.51379    85.78449
   67    64 S   OS   _O34    57     1.44980   106.68768  -156.14505
   68    67 S   CT   _C12    58     1.43690   108.19523    -1.54193
   69    68 S   HC   _H6_    59     1.09602   107.91733   -96.15841
   70    68 S   CT   _C13    60     1.52782   114.14043   140.83652
   71    70 S   HC   _H14    61     1.09382   111.05034   144.41959
   72    70 S   HC   _H15    62     1.09307   112.55573    18.67438
   73    70 S   CO4  _C14    63     1.51865   103.14105  -100.18257
   74    73 S   O    _O33    64     1.22484   123.41632  -171.71518
  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   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  19   7  12   5  20
   9   5   4  22   9   3   2   1  10   4   3   9   2   9   5   6
   3   2   6   6   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    46    47    49    42  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    44    45    46    47    49    50    51    57    48    42    43  
   41    44    45    46    47    49    48    42    43  
   44    45    46    47    49    73    48    52    53    42    43  
   43    44    46  
    0  
   45    46    47    49    50    51    57    62    68    70    73    74    48    52    60    53    54    55    56  
   46    47    49    73    48    52    53  
   47    49    50    51    57    58    59    62    73    48    52    53  
   49    50    51    57    48  
   52    60    61    53    54    55    56    49    57    62    63    64    67    68    69    70    71    72    73    74  
   50    51    57    58    59    62    63    64    52  
   51    57    58    59    62  
   57    58    59    62  
   60    61    53    54    55    56    57    58    59    62    63    64    65    66    67    68    69    70    71    72    73    74  
   54    55    56    60    62    68    70    73    74  
   55    56    73  
   56    73  
   73  
   58    59    62    63    64    65    66    67    68    60  
   59    62    63    64  
   62    63    64  
   61    62    63    64    67    68    69    70    73  
   62    68  
   63    64    65    66    67    68    69    70    73  
   64    65    66    67    68  
   65    66    67    68    69    70  
   66    67    68  
   67    68  
   68    69    70    71    72    73  
   69    70    71    72    73    74  
   70    71    72    73  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    46   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    52   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   320.000  1.410
   67    68   320.000  1.410
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    52   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.522
   73    74   570.000  1.229
   73    48   317.000  1.522
   48    52   268.000  1.529
   48    53   268.000  1.529
   52    60   320.000  1.410
   60    61   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    46    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    46    44    70.00000  112.02700
   39    46    47    35.00000  109.50000
   39    46    49    70.00000  112.02700
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    48    73    63.00000  111.10000
   44    48    52    58.35000  112.70000
   44    48    53    58.35000  112.70000
   46    39    40    70.00000  124.00000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    57    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    62    58.35000  112.70000
   51    49    50    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    51    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    58.35000  112.70000
   57    62    52    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    50.00000  109.50000
   62    52    68    58.35000  112.70000
   62    52    48    58.35000  112.70000
   62    52    60    50.00000  109.50000
   64    62    63    37.50000  110.70000
   64    67    68    60.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   67    68    69    35.00000  109.50000
   67    68    70    50.00000  109.50000
   67    68    52    50.00000  109.50000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    63.00000  111.10000
   68    52    48    58.35000  112.70000
   68    52    60    50.00000  109.50000
   70    68    69    37.50000  110.70000
   70    73    74    80.00000  120.40000
   70    73    48    70.00000  116.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    48    52    63.00000  111.10000
   73    48    53    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    73    74    80.00000  120.40000
   48    52    60    50.00000  109.50000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   52    62    63    37.50000  110.70000
   52    62    64    58.35000  112.70000
   52    68    69    37.50000  110.70000
   52    68    70    58.35000  112.70000
   52    60    61    55.00000  108.50000
   53    48    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   42    40    41   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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    46   0.30250  1.0 1.0
   29    33    39    46  -0.14950 -1.0 2.0
   29    33    39    46   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    46    44   0.46850  1.0 1.0
   33    39    46    44   0.08550 -1.0 2.0
   33    39    46    44   0.09800  1.0 3.0
   33    39    46    47   0.34800  1.0 3.0
   33    39    46    49   0.46850  1.0 1.0
   33    39    46    49   0.08550 -1.0 2.0
   33    39    46    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   39    46    49    50   0.15000  1.0 3.0
   39    46    49    51   0.15000  1.0 3.0
   39    46    49    57   0.34400  1.0 1.0
   39    46    49    57   0.09450 -1.0 2.0
   39    46    49    57   0.11100  1.0 3.0
   40    39   -46    44   0.09850  1.0 1.0
   40    39   -46    44   0.15250 -1.0 2.0
   40    39   -46    44  -0.50650  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    49   0.09850  1.0 1.0
   40    39    46    49   0.15250 -1.0 2.0
   40    39    46    49  -0.50650  1.0 3.0
   40    41    44    45   0.08050  1.0 3.0
   40    41   -44    46  -0.46850  1.0 1.0
   40    41   -44    46   0.09300 -1.0 2.0
   40    41   -44    46  -0.12850  1.0 3.0
   40    41    44    48  -0.46850  1.0 1.0
   40    41    44    48   0.09300 -1.0 2.0
   40    41    44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -46    39   0.61850  1.0 1.0
   41    44   -46    39  -0.22750 -1.0 2.0
   41    44   -46    39   0.15300  1.0 3.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    49   0.62750  1.0 1.0
   41    44    46    49  -0.30950 -1.0 2.0
   41    44    46    49   0.27300  1.0 3.0
   41    44    48    73  -0.09450  1.0 1.0
   41    44    48    73  -1.12950 -1.0 2.0
   41    44    48    73   0.54000  1.0 3.0
   41    44    48    52   0.62750  1.0 1.0
   41    44    48    52  -0.30950 -1.0 2.0
   41    44    48    52   0.27300  1.0 3.0
   41    44    48    53   0.62750  1.0 1.0
   41    44    48    53  -0.30950 -1.0 2.0
   41    44    48    53   0.27300  1.0 3.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    51   0.15000  1.0 3.0
   44    46    49    57   0.56750  1.0 1.0
   44    46    49    57  -0.07550 -1.0 2.0
   44    46    49    57   0.20000  1.0 3.0
   44    48    52    62   0.56750  1.0 1.0
   44    48    52    62  -0.07550 -1.0 2.0
   44    48    52    62   0.20000  1.0 3.0
   44    48    52    68   0.56750  1.0 1.0
   44    48    52    68  -0.07550 -1.0 2.0
   44    48    52    68   0.20000  1.0 3.0
   44    48    52    60   0.86500  1.0 1.0
   44    48    52    60  -0.17500 -1.0 2.0
   44    48    52    60   0.20800  1.0 3.0
   44    48    53    54   0.15000  1.0 3.0
   44    48    53    55   0.15000  1.0 3.0
   44    48    53    56   0.15000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    48    73  -0.11250  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   45    44    48    53   0.15000  1.0 3.0
   46    39   -40    41   7.00000 -1.0 2.0
   46    39    40    42   7.00000 -1.0 2.0
   46    44    48    73  -0.95700  1.0 1.0
   46    44    48    73  -0.18200 -1.0 2.0
   46    44    48    73   0.29450  1.0 3.0
   46    44    48    52   0.56750  1.0 1.0
   46    44    48    52  -0.07550 -1.0 2.0
   46    44    48    52   0.20000  1.0 3.0
   46    44    48    53   0.56750  1.0 1.0
   46    44    48    53  -0.07550 -1.0 2.0
   46    44    48    53   0.20000  1.0 3.0
   46    49    57    58   0.15000  1.0 3.0
   46    49    57    59   0.15000  1.0 3.0
   46    49    57    62   0.56750  1.0 1.0
   46    49    57    62  -0.07550 -1.0 2.0
   46    49    57    62   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    57   0.15000  1.0 3.0
   49    57    62    63   0.15000  1.0 3.0
   49    57    62    64   0.56750  1.0 1.0
   49    57    62    64  -0.07550 -1.0 2.0
   49    57    62    64   0.20000  1.0 3.0
   49    57    62    52   0.56750  1.0 1.0
   49    57    62    52  -0.07550 -1.0 2.0
   49    57    62    52   0.20000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    62   0.15000  1.0 3.0
   51    49    57    58   0.15000  1.0 3.0
   51    49    57    59   0.15000  1.0 3.0
   51    49    57    62   0.15000  1.0 3.0
   57    62    64    65   0.15000  1.0 3.0
   57    62    64    66   0.15000  1.0 3.0
   57    62    64    67   0.62750  1.0 1.0
   57    62    64    67  -0.30950 -1.0 2.0
   57    62    64    67   0.27300  1.0 3.0
   57    62    52    68   0.56750  1.0 1.0
   57    62    52    68  -0.07550 -1.0 2.0
   57    62    52    68   0.20000  1.0 3.0
   57    62    52    48   0.56750  1.0 1.0
   57    62    52    48  -0.07550 -1.0 2.0
   57    62    52    48   0.20000  1.0 3.0
   57    62    52    60   0.86500  1.0 1.0
   57    62    52    60  -0.17500 -1.0 2.0
   57    62    52    60   0.20800  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    52   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    52   0.15000  1.0 3.0
   62    64   -67    68   0.06250  1.0 1.0
   62    64   -67    68  -0.01100 -1.0 2.0
   62    64   -67    68   0.28050  1.0 3.0
   62    52    60    61  -0.11600  1.0 1.0
   62    52    60    61  -0.09450 -1.0 2.0
   62    52    60    61   0.21250  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    67   0.23400  1.0 3.0
   63    62    52    68   0.15000  1.0 3.0
   63    62    52    48   0.15000  1.0 3.0
   63    62    52    60   0.23400  1.0 3.0
   64    62   -52    68   0.56750  1.0 1.0
   64    62   -52    68  -0.07550 -1.0 2.0
   64    62   -52    68   0.20000  1.0 3.0
   64    62    52    48   0.56750  1.0 1.0
   64    62    52    48  -0.07550 -1.0 2.0
   64    62    52    48   0.20000  1.0 3.0
   64    62    52    60   0.86500  1.0 1.0
   64    62    52    60  -0.17500 -1.0 2.0
   64    62    52    60   0.20800  1.0 3.0
   64    67    68    69   0.37050  1.0 3.0
   64    67    68    70   0.06250  1.0 1.0
   64    67    68    70  -0.01100 -1.0 2.0
   64    67    68    70   0.28050  1.0 3.0
   64    67   -68    52   0.06250  1.0 1.0
   64    67   -68    52  -0.01100 -1.0 2.0
   64    67   -68    52   0.28050  1.0 3.0
   65    64    67    68   0.37050  1.0 3.0
   66    64    67    68   0.37050  1.0 3.0
   67    68    70    71   0.23400  1.0 3.0
   67    68    70    72   0.23400  1.0 3.0
   67    68    70    73  -0.09450  1.0 1.0
   67    68    70    73  -1.12950 -1.0 2.0
   67    68    70    73   0.54000  1.0 3.0
   67    68   -52    62   0.62750  1.0 1.0
   67    68   -52    62  -0.30950 -1.0 2.0
   67    68   -52    62   0.27300  1.0 3.0
   67    68    52    48   0.62750  1.0 1.0
   67    68    52    48  -0.30950 -1.0 2.0
   67    68    52    48   0.27300  1.0 3.0
   67    68    52    60   3.69350  1.0 1.0
   67    68    52    60  -1.82950 -1.0 2.0
   68    70    73    74   0.30150 -1.0 2.0
   68    70   -73    48   0.60050  1.0 1.0
   68    70   -73    48   0.05600 -1.0 2.0
   68    70   -73    48   0.26150  1.0 3.0
   68    52    60    61  -0.11600  1.0 1.0
   68    52    60    61  -0.09450 -1.0 2.0
   68    52    60    61   0.21250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73  -0.11250  1.0 3.0
   69    68    52    62   0.15000  1.0 3.0
   69    68    52    48   0.15000  1.0 3.0
   69    68    52    60   0.23400  1.0 3.0
   70    68    52    62   0.56750  1.0 1.0
   70    68    52    62  -0.07550 -1.0 2.0
   70    68    52    62   0.20000  1.0 3.0
   70    68   -52    48   0.56750  1.0 1.0
   70    68   -52    48  -0.07550 -1.0 2.0
   70    68   -52    48   0.20000  1.0 3.0
   70    68    52    60   0.86500  1.0 1.0
   70    68    52    60  -0.17500 -1.0 2.0
   70    68    52    60   0.20800  1.0 3.0
   70    73    48    44   0.60050  1.0 1.0
   70    73    48    44   0.05600 -1.0 2.0
   70    73    48    44   0.26150  1.0 3.0
   70    73   -48    52   0.60050  1.0 1.0
   70    73   -48    52   0.05600 -1.0 2.0
   70    73   -48    52   0.26150  1.0 3.0
   70    73    48    53   0.60050  1.0 1.0
   70    73    48    53   0.05600 -1.0 2.0
   70    73    48    53   0.26150  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    48   0.00000  1.0 1.0
   72    70    73    74   0.00000  1.0 1.0
   72    70    73    48   0.00000  1.0 1.0
   73    48    52    62  -0.95700  1.0 1.0
   73    48    52    62  -0.18200 -1.0 2.0
   73    48    52    62   0.29450  1.0 3.0
   73    48   -52    68  -0.95700  1.0 1.0
   73    48   -52    68  -0.18200 -1.0 2.0
   73    48   -52    68   0.29450  1.0 3.0
   73    48    52    60  -0.09450  1.0 1.0
   73    48    52    60  -1.12950 -1.0 2.0
   73    48    52    60   0.54000  1.0 3.0
   73    48    53    54  -0.11250  1.0 3.0
   73    48    53    55  -0.11250  1.0 3.0
   73    48    53    56  -0.11250  1.0 3.0
   74    73    48    44   0.30150 -1.0 2.0
   74    73    48    52   0.30150 -1.0 2.0
   74    73    48    53   0.30150 -1.0 2.0
   48    44    46    39   0.34400  1.0 1.0
   48    44    46    39   0.09450 -1.0 2.0
   48    44    46    39   0.11100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    49   0.56750  1.0 1.0
   48    44    46    49  -0.07550 -1.0 2.0
   48    44    46    49   0.20000  1.0 3.0
   48    52    60    61  -0.11600  1.0 1.0
   48    52    60    61  -0.09450 -1.0 2.0
   48    52    60    61   0.21250  1.0 3.0
   52    62    64    65   0.15000  1.0 3.0
   52    62    64    66   0.15000  1.0 3.0
   52    62   -64    67   0.62750  1.0 1.0
   52    62   -64    67  -0.30950 -1.0 2.0
   52    62   -64    67   0.27300  1.0 3.0
   52    68    70    71   0.15000  1.0 3.0
   52    68    70    72   0.15000  1.0 3.0
   52    68   -70    73  -0.95700  1.0 1.0
   52    68   -70    73  -0.18200 -1.0 2.0
   52    68   -70    73   0.29450  1.0 3.0
   52    48    53    54   0.15000  1.0 3.0
   52    48    53    55   0.15000  1.0 3.0
   52    48    53    56   0.15000  1.0 3.0
   53    48    52    62   0.56750  1.0 1.0
   53    48    52    62  -0.07550 -1.0 2.0
   53    48    52    62   0.20000  1.0 3.0
   53    48    52    68   0.56750  1.0 1.0
   53    48    52    68  -0.07550 -1.0 2.0
   53    48    52    68   0.20000  1.0 3.0
   53    48    52    60   0.86500  1.0 1.0
   53    48    52    60  -0.17500 -1.0 2.0
   53    48    52    60   0.20800  1.0 3.0
   42    40    41    44   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
   37    30    36    38  10.50000 -1.0 2.0
   33    46    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   70    48    73    74  10.50000 -1.0 2.0
END
