* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    134    217     401
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02120   104.17999   -35.63980
    3     1 S   H    _H1_     3     1.02057    69.24897    69.31246
    4     1 S   H    _H2_     4     1.02147    43.87689  -137.95701
    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     1.80959    98.54849   -78.14577
   34    33 S   HC   _H18    37     1.09506   109.02927   -38.97077
   35    33 S   HC   _H19    38     1.09526   109.22239    78.65595
   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     1.48143   110.17433  -160.03288
   40    39 S   CM   _C17    40     1.34118   128.65814    90.35653
   41    40 S   OS   _O36    41     1.40577   114.80348   178.25774
   42    40 S   OH   _O37    71     1.36789   124.62338    -0.66910
   43    42 S   HO   _H17    72     0.96602   110.47705   180.00000
   44    41 S   CT   _C8_    42     1.43523    99.61959    20.91503
   45    44 S   HC   _H3_    43     1.10050   105.85028    81.60947
   46    44 S   CT   _C7_    44     1.52065   114.86463  -158.42873
   47    46 S   HC   _H10    45     1.09847   109.54030   -58.31966
   48    46 S   HC   _H11    46     1.09933   109.02964    56.37547
   49    39 S   CT   _C9_    59     1.49310   124.53158   -96.16311
   50    49 S   HC   _H4_    60     1.10189   105.56121   -85.04404
   51    46 S   CT   _C6_    47     1.55439   110.97952   178.64795
   52    51 S   CT   _C15    48     1.53761   110.47420    71.19560
   53    52 S   HC   _H14    49     1.09384   112.75397   -54.77096
   54    52 S   HC   _H15    50     1.09631   110.82809    64.28886
   55    51 S   CM   _C5_    66     1.51511   106.96311  -170.55446
   56    55 S   HC   _H9_    67     1.08571   117.19184  -119.96322
   57    52 S   OS   _O34    51     1.44358   113.85110  -175.46072
   58    55 S   CM   _C4_    68     1.33797   123.99624    59.98825
   59    58 S   HC   _H7_    69     1.08463   120.40110   179.97202
   60    58 S   HC   _H8_    70     1.08420   121.59186     0.01978
   61    57 S   CO4  _C14    52     1.35495   124.03356    36.08555
   62    61 S   O    _O33    53     1.22716   120.85218   167.50786
   63    61 S   CM   _C12    54     1.48053   116.45759   -14.85238
   64    51 S   CT   _C11    55     1.55529   111.86266   -49.29191
   65    64 S   HC   _H6_    56     1.10170   107.62373   -70.41320
   66    63 S   CM   _C13    63     1.34375   116.52036  -161.77575
   67    66 S   HC   _H12    64     1.07864   120.30488  -179.71607
   68    66 S   HC   _H13    65     1.07929   120.35566     0.36262
   69    64 S   CT   _C10    57     1.56302   113.88995    47.05857
   70    69 S   HC   _H5_    58     1.09490   111.64468    70.71056
   71    69 S   OH   _O35    61     1.42810   107.91575  -170.51007
   72    71 S   HO   _H16    62     0.96971   106.36272    57.52139
  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  13   7  16   6   5
   9   4  17  12   5   4   9   4   5   3   1   1   8   3   8   8
   4   3   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    69    49    50    42  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    44    45    46    64    69    70    49    50    71    42    43  
   41    44    45    46    69    49    50    42    43  
   44    45    46    47    48    51    69    49    50    42    43  
   43    44    49  
    0  
   45    46    47    48    51    52    64    69    70    49    50    71    55  
   46    47    48    51    69    49    50  
   47    48    51    52    53    54    57    63    64    65    69    49    50    55    56    58  
   48    51    52    64    49    55  
   51    52    64    49    55  
   50    71    72    51    63    64    65    69    70  
   71    64    69    70  
   52    53    54    57    61    63    64    65    69    70    71    66    55    56    58    59    60  
   53    54    57    61    62    63    64    65    69    55    56    58  
   54    57    61    64    55  
   57    61    64    55  
   56    58    59    60    57    63    64    65    69  
   58    59    60    64  
   61    62    63    64    66  
   59    60    64  
   60  
    0  
   62    63    64    65    69    66    67    68  
   63    64    66  
   64    65    69    70    71    66    67    68  
   65    69    70    71    72    66    67    68  
   69    70    71    66  
   67    68    69  
   68  
    0  
   70    71    72  
   71    72  
   72  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    49   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    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   268.000  1.529
   51    64   268.000  1.529
   51    55   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   320.000  1.410
   57    61   214.000  1.327
   61    62   570.000  1.229
   61    63   320.000  1.462
   63    64   317.000  1.510
   63    66   549.000  1.340
   64    65   340.000  1.090
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    49   268.000  1.529
   69    71   320.000  1.410
   49    50   340.000  1.090
   71    72   553.000  0.945
   66    67   340.000  1.080
   66    68   340.000  1.080
   55    56   340.000  1.080
   55    58   549.000  1.340
   58    59   340.000  1.080
   58    60   340.000  1.080
   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    49    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    49    44    70.00000  112.02700
   39    49    69    70.00000  112.02700
   39    49    50    35.00000  109.50000
   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    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    69    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    58.35000  112.70000
   46    51    64    58.35000  112.70000
   46    51    55    70.00000  112.02700
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    54    37.50000  110.70000
   51    52    57    50.00000  109.50000
   51    64    63    70.00000  112.02700
   51    64    65    37.50000  110.70000
   51    64    69    58.35000  112.70000
   51    55    56    35.00000  117.00000
   51    55    58    70.00000  124.00000
   52    57    61    83.00000  116.90000
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   57    61    62    83.00000  123.40000
   57    61    63    90.00000  111.29400
   61    63    64    65.00000  116.34900
   61    63    66    65.00000  118.96000
   63    61    62    80.00000  123.72100
   63    64    65    35.00000  109.50000
   63    64    69    70.00000  112.02700
   63    66    67    35.00000  120.00000
   63    66    68    35.00000  120.00000
   64    51    52    58.35000  112.70000
   64    69    70    37.50000  110.70000
   64    69    49    58.35000  112.70000
   64    69    71    50.00000  109.50000
   69    64    65    37.50000  110.70000
   69    49    50    37.50000  110.70000
   69    71    72    55.00000  108.50000
   49    39    40    70.00000  124.00000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    69    70    37.50000  110.70000
   71    69    70    35.00000  109.50000
   71    69    49    50.00000  109.50000
   66    63    64    70.00000  124.00000
   68    66    67    35.00000  117.00000
   55    51    52    70.00000  112.02700
   55    51    64    70.00000  112.02700
   55    58    59    35.00000  120.00000
   55    58    60    35.00000  120.00000
   58    55    56    35.00000  120.00000
   60    58    59    35.00000  117.00000
   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    49   0.30250  1.0 1.0
   29    33    39    49  -0.14950 -1.0 2.0
   29    33    39    49   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    49    44   0.46850  1.0 1.0
   33    39    49    44   0.08550 -1.0 2.0
   33    39    49    44   0.09800  1.0 3.0
   33    39    49    69   0.46850  1.0 1.0
   33    39    49    69   0.08550 -1.0 2.0
   33    39    49    69   0.09800  1.0 3.0
   33    39    49    50   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   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
   40    39   -49    44   0.09850  1.0 1.0
   40    39   -49    44   0.15250 -1.0 2.0
   40    39   -49    44  -0.50650  1.0 3.0
   40    39    49    69   0.09850  1.0 1.0
   40    39    49    69   0.15250 -1.0 2.0
   40    39    49    69  -0.50650  1.0 3.0
   40    39    49    50   0.00000  1.0 1.0
   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    49  -0.46850  1.0 1.0
   40    41   -44    49   0.09300 -1.0 2.0
   40    41   -44    49  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.23400  1.0 3.0
   41    44    46    51   0.62750  1.0 1.0
   41    44    46    51  -0.30950 -1.0 2.0
   41    44    46    51   0.27300  1.0 3.0
   41    44   -49    39   0.61850  1.0 1.0
   41    44   -49    39  -0.22750 -1.0 2.0
   41    44   -49    39   0.15300  1.0 3.0
   41    44    49    69   0.62750  1.0 1.0
   41    44    49    69  -0.30950 -1.0 2.0
   41    44    49    69   0.27300  1.0 3.0
   41    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.56750  1.0 1.0
   44    46    51    52  -0.07550 -1.0 2.0
   44    46    51    52   0.20000  1.0 3.0
   44    46    51    64   0.56750  1.0 1.0
   44    46    51    64  -0.07550 -1.0 2.0
   44    46    51    64   0.20000  1.0 3.0
   44    46    51    55   0.34400  1.0 1.0
   44    46    51    55   0.09450 -1.0 2.0
   44    46    51    55   0.11100  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    69   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.34400  1.0 1.0
   46    44    49    39   0.09450 -1.0 2.0
   46    44    49    39   0.11100  1.0 3.0
   46    44    49    69   0.56750  1.0 1.0
   46    44    49    69  -0.07550 -1.0 2.0
   46    44    49    69   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    53   0.15000  1.0 3.0
   46    51    52    54   0.15000  1.0 3.0
   46    51    52    57   0.62750  1.0 1.0
   46    51    52    57  -0.30950 -1.0 2.0
   46    51    52    57   0.27300  1.0 3.0
   46    51    64    63   0.34400  1.0 1.0
   46    51    64    63   0.09450 -1.0 2.0
   46    51    64    63   0.11100  1.0 3.0
   46    51    64    65   0.15000  1.0 3.0
   46    51   -64    69   0.56750  1.0 1.0
   46    51   -64    69  -0.07550 -1.0 2.0
   46    51   -64    69   0.20000  1.0 3.0
   46    51    55    56   0.00000  1.0 1.0
   46    51    55    58   0.09850  1.0 1.0
   46    51    55    58   0.15250 -1.0 2.0
   46    51    55    58  -0.50650  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    64   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    64   0.15000  1.0 3.0
   48    46    51    55   0.15000  1.0 3.0
   51    52    57    61  -0.25900  1.0 1.0
   51    52    57    61  -0.47000 -1.0 2.0
   51    52    57    61   0.11750  1.0 3.0
   51    64    69    70   0.15000  1.0 3.0
   51    64    69    49   0.56750  1.0 1.0
   51    64    69    49  -0.07550 -1.0 2.0
   51    64    69    49   0.20000  1.0 3.0
   51    64    69    71   0.86500  1.0 1.0
   51    64    69    71  -0.17500 -1.0 2.0
   51    64    69    71   0.20800  1.0 3.0
   51    55    58    59   7.00000 -1.0 2.0
   51    55    58    60   7.00000 -1.0 2.0
   52    51    64    63   0.34400  1.0 1.0
   52    51    64    63   0.09450 -1.0 2.0
   52    51    64    63   0.11100  1.0 3.0
   52    51    64    65   0.15000  1.0 3.0
   52    51    64    69   0.56750  1.0 1.0
   52    51    64    69  -0.07550 -1.0 2.0
   52    51    64    69   0.20000  1.0 3.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    58   0.09850  1.0 1.0
   52    51    55    58   0.15250 -1.0 2.0
   52    51    55    58  -0.50650  1.0 3.0
   52    57    61    62   3.00000 -1.0 2.0
   52    57   -61    63   2.00000 -1.0 2.0
   53    52    57    61   0.08050  1.0 3.0
   54    52    57    61   0.08050  1.0 3.0
   57    61    63    64  -0.15000  1.0 1.0
   57    61    63    64   0.89550 -1.0 2.0
   57    61    63    64  -0.06900  1.0 3.0
   57    61    63    66  -0.56150  1.0 1.0
   57    61    63    66   2.19150 -1.0 2.0
   61    63   -64    51   0.09700  1.0 1.0
   61    63   -64    51   0.15600 -1.0 2.0
   61    63   -64    51  -0.50800  1.0 3.0
   61    63    64    65   0.15000  1.0 3.0
   61    63    64    69   0.09700  1.0 1.0
   61    63    64    69   0.15600 -1.0 2.0
   61    63    64    69  -0.50800  1.0 3.0
   61    63    66    67   7.00000 -1.0 2.0
   61    63    66    68   7.00000 -1.0 2.0
   62    61    63    64  -0.64400  1.0 1.0
   62    61    63    64   0.26850 -1.0 2.0
   62    61    63    66   1.00000 -1.0 2.0
   63    64    69    70   0.15000  1.0 3.0
   63    64    69    49   0.34400  1.0 1.0
   63    64    69    49   0.09450 -1.0 2.0
   63    64    69    49   0.11100  1.0 3.0
   63    64    69    71   1.05650  1.0 1.0
   63    64    69    71   0.15600 -1.0 2.0
   63    64    69    71   0.53150  1.0 3.0
   64    51    52    53   0.15000  1.0 3.0
   64    51    52    54   0.15000  1.0 3.0
   64    51   -52    57   0.62750  1.0 1.0
   64    51   -52    57  -0.30950 -1.0 2.0
   64    51   -52    57   0.27300  1.0 3.0
   64    51    55    56   0.00000  1.0 1.0
   64    51    55    58   0.09850  1.0 1.0
   64    51    55    58   0.15250 -1.0 2.0
   64    51    55    58  -0.50650  1.0 3.0
   64    63    66    67   7.00000 -1.0 2.0
   64    63    66    68   7.00000 -1.0 2.0
   64    69    49    39   0.34400  1.0 1.0
   64    69    49    39   0.09450 -1.0 2.0
   64    69    49    39   0.11100  1.0 3.0
   64    69   -49    44   0.56750  1.0 1.0
   64    69   -49    44  -0.07550 -1.0 2.0
   64    69   -49    44   0.20000  1.0 3.0
   64    69    49    50   0.15000  1.0 3.0
   64    69    71    72  -0.11600  1.0 1.0
   64    69    71    72  -0.09450 -1.0 2.0
   64    69    71    72   0.21250  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    49   0.15000  1.0 3.0
   65    64    69    71   0.23400  1.0 3.0
   70    69    49    39   0.15000  1.0 3.0
   70    69    49    44   0.15000  1.0 3.0
   70    69    49    50   0.15000  1.0 3.0
   70    69    71    72   0.19450  1.0 3.0
   49    39   -40    41   7.00000 -1.0 2.0
   49    39    40    42   7.00000 -1.0 2.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44   -46    51   0.56750  1.0 1.0
   49    44   -46    51  -0.07550 -1.0 2.0
   49    44   -46    51   0.20000  1.0 3.0
   49    69    71    72  -0.11600  1.0 1.0
   49    69    71    72  -0.09450 -1.0 2.0
   49    69    71    72   0.21250  1.0 3.0
   71    69    49    39   1.05650  1.0 1.0
   71    69    49    39   0.15600 -1.0 2.0
   71    69    49    39   0.53150  1.0 3.0
   71    69    49    44   0.86500  1.0 1.0
   71    69    49    44  -0.17500 -1.0 2.0
   71    69    49    44   0.20800  1.0 3.0
   71    69    49    50   0.23400  1.0 3.0
   66    63    64    51   0.09850  1.0 1.0
   66    63    64    51   0.15250 -1.0 2.0
   66    63    64    51  -0.50650  1.0 3.0
   66    63    64    65   0.00000  1.0 1.0
   66    63    64    69   0.09850  1.0 1.0
   66    63    64    69   0.15250 -1.0 2.0
   66    63    64    69  -0.50650  1.0 3.0
   55    51    52    53   0.15000  1.0 3.0
   55    51    52    54   0.15000  1.0 3.0
   55    51    52    57   0.61850  1.0 1.0
   55    51    52    57  -0.22750 -1.0 2.0
   55    51    52    57   0.15300  1.0 3.0
   55    51    64    63   0.31000  1.0 1.0
   55    51    64    63   0.14700 -1.0 2.0
   55    51    64    63   0.07550  1.0 3.0
   55    51    64    65   0.15000  1.0 3.0
   55    51    64    69   0.34400  1.0 1.0
   55    51    64    69   0.09450 -1.0 2.0
   55    51    64    69   0.11100  1.0 3.0
   56    55    58    59   7.00000 -1.0 2.0
   56    55    58    60   7.00000 -1.0 2.0
   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    49    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   57    63    61    62  10.50000 -1.0 2.0
   61    64    63    66   1.10000 -1.0 2.0
   67    68    66    63   1.10000 -1.0 2.0
   51    56    55    58  15.00000 -1.0 2.0
   59    60    58    55  15.00000 -1.0 2.0
END
