* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    134    215     400
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02111   104.51283   -34.22262
    3     1 S   H    _H1_     3     1.02087    68.32017    70.48647
    4     1 S   H    _H2_     4     1.02118    44.64885  -136.23187
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C15    36     1.85524    97.05355   161.83933
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C6_    37     1.52551   107.93538  -179.98022
   38    37 S   CM   _C7_    38     1.35465   120.43827   -90.61881
   39    37 S   CO   _C5_    55     1.53350   116.24391    92.25034
   40    38 S   CA   _C8_    39     1.48157   121.19651     2.83068
   41    38 S   OH   _O37    53     1.38202   121.27228  -176.24819
   42    41 S   HO   _H17    54     0.96300   109.85533    -0.89372
   43    39 S   OS   _O34    56     1.43054   112.48585   -22.90439
   44    39 S   CT   _C4_    68     1.53220   111.94635   102.15145
   45    44 S   HC   _H4_    69     1.08562   109.37855  -179.97202
   46    44 S   HC   _H5_    70     1.08605   109.38687    59.99811
   47    44 S   HC   _H6_    71     1.08547   109.35749   -60.03144
   48    39 S   OH   _O38    72     1.43828   110.07073  -141.06187
   49    48 S   HO   _H18    73     0.96653   106.02428  -179.98022
   50    40 S   CA   _C9_    40     1.40841   118.89278   -18.55159
   51    43 S   CT   _C17    57     1.42590   118.89696    52.50095
   52    51 S   HC   _H3_    58     1.16153   106.85556  -144.33683
   53    50 S   CA   _C10    41     1.40170   120.34718  -178.73143
   54    53 S   HA   _H7_    42     1.08662   120.42344   178.72728
   55    33 S   CT   _C14    50     1.54871   108.77218    58.85146
   56    55 S   HC   _H11    51     1.09441   110.78990   -50.10926
   57    55 S   HC   _H12    52     1.09679   110.11654  -167.75423
   58    33 S   CT   _C16    59     1.53721   109.99486   -60.42363
   59    58 S   HC   _H13    60     1.10042   108.56227   177.58970
   60    58 S   HC   _H14    61     1.09793   111.60516    61.13660
   61    51 S   CT   _C18    62     1.52436   110.41930   102.97466
   62    61 S   HC   _H15    63     1.09446   108.65408    52.80530
   63    61 S   HC   _H16    64     1.09493   108.69450   -64.07176
   64    53 S   CA   _C11    43     1.39192   120.28060    -1.59127
   65    64 S   HA   _H8_    44     1.08695   120.09228  -179.54200
   66    61 S   CO3  _C19    65     1.52819   115.13607   174.36880
   67    66 S   O2Z  _O36    66     1.26132   116.86054   -31.75012
   68    66 S   O2Z  _O35    67     1.26523   113.81521   148.18641
   69    64 S   CA   _C12    45     1.39174   119.83677     0.26244
   70    69 S   HA   _H9_    46     1.08685   119.44409  -179.35260
   71    40 S   CA   _C13    47     1.40321   122.60092   160.52380
   72    71 S   OH   _O33    48     1.36503   122.45167    -1.62787
   73    72 S   HO   _H10    49     0.96841   110.03291  -178.89235
  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  12   5   4   3
  19   2   1   1  21  14  14  14   3   1  15   6   3   2   1   2
   1  11  11   7   9   4   7   2   1   6   2   1   5   4   3   5
   3   2   1   1   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    58    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    50    55    56    57    39    51    58    59    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    50    53    55    56    57    41    39    43    51    52    58    59    60    61    44    48  
   35    36  
   36  
    0  
   38    40    50    71    55    56    57    41    42    39    43    51    58    59    60    44    45    46    47    48    49  
   40    50    53    69    71    72    55    41    42    39    43    58    44    48  
   43    51    52    58    61    44    45    46    47    48    49    40    41    55  
   50    53    54    64    69    70    71    72    73    55    56    57    41    42  
   42    50    71  
    0  
   51    52    58    59    60    61    62    63    66    44    45    46    47    48    49  
   45    46    47    48    49    51  
   46    47    48  
   47    48  
   48  
   49    51  
    0  
   53    54    64    65    69    71    72    55    56    57    58  
   52    58    59    60    61    62    63    66    67    68    55  
   58    59    60    61    62    63    66  
   54    64    65    69    70    71    55    56    57  
   64    65    69    55  
   56    57    58    59    60    64    71  
   57    58  
   58  
   59    60    61    62    63    66  
   60    61  
   61  
   62    63    66    67    68  
   63    66    67    68  
   66    67    68  
   65    69    70    71    72  
   69    70    71  
   67    68  
   68  
    0  
   70    71    72    73  
   71    72  
   72    73  
   73  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    55   268.000  1.529
   33    58   268.000  1.529
   37    38   549.000  1.340
   37    39   317.000  1.510
   38    40   320.000  1.460
   38    41   510.000  1.338
   40    50   469.000  1.400
   40    71   469.000  1.400
   50    53   469.000  1.400
   50    55   317.000  1.510
   53    54   367.000  1.080
   53    64   469.000  1.400
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   41    42   553.000  0.945
   39    43   320.000  1.380
   39    44   250.000  1.527
   39    48   380.000  1.407
   43    51   320.000  1.410
   51    52   340.000  1.090
   51    58   268.000  1.529
   51    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   317.000  1.522
   66    67   656.000  1.250
   66    68   656.000  1.250
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    55    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    39    65.00000  117.92700
   33    55    50    70.00000  112.17500
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   33    58    51    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    60    37.50000  110.70000
   37    38    40    60.00000  123.20500
   37    38    41    80.00000  121.38400
   37    39    43    85.00000  110.90400
   37    39    44    70.00000  112.02700
   37    39    48    90.00000  110.39200
   38    40    50    60.00000  120.93500
   38    40    71    60.00000  120.93500
   38    41    42    70.00000  107.45700
   40    50    53    63.00000  120.00000
   40    50    55    70.00000  120.00000
   40    71    69    63.00000  120.00000
   40    71    72    70.00000  120.00000
   50    53    54    35.00000  120.00000
   50    53    64    63.00000  120.00000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   53    64    65    35.00000  120.00000
   53    64    69    63.00000  120.00000
   64    53    54    35.00000  120.00000
   64    69    70    35.00000  120.00000
   64    69    71    63.00000  120.00000
   69    64    65    35.00000  120.00000
   69    71    72    70.00000  120.00000
   71    40    50    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  113.00000
   55    33    37    70.00000  112.02700
   55    50    53    70.00000  120.00000
   57    55    56    33.00000  107.80000
   41    38    40    85.00000  114.86500
   39    37    38    70.00000  124.00000
   39    43    51    60.00000  109.50000
   39    44    45    45.00000  108.72000
   39    44    46    45.00000  108.72000
   39    44    47    45.00000  108.72000
   39    48    49    70.00000  107.92000
   43    51    52    35.00000  109.50000
   43    51    58    50.00000  109.50000
   43    51    61    50.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    66    70.00000  109.69300
   58    33    37    70.00000  112.02700
   58    33    55    58.35000  112.70000
   58    51    52    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    51    52    37.50000  110.70000
   61    51    58    58.35000  112.70000
   61    66    67    70.00000  117.00000
   61    66    68    70.00000  117.00000
   63    61    62    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    35.00000  109.50000
   68    66    67    80.00000  126.00000
   44    39    43    90.00000  108.56700
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    39    43   110.00000  112.08000
   48    39    44    90.00000  110.19100
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    39   0.30250  1.0 1.0
   29    33    37    39  -0.14950 -1.0 2.0
   29    33    37    39   0.36900  1.0 3.0
   29    33    55    50   0.56750  1.0 1.0
   29    33    55    50  -0.07550 -1.0 2.0
   29    33    55    50   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   29    33    58    51   0.44750  1.0 1.0
   29    33    58    51  -0.17800 -1.0 2.0
   29    33    58    51   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    60   0.15000  1.0 3.0
   33    37    38    40   7.00000 -1.0 2.0
   33    37    38    41   7.00000 -1.0 2.0
   33    37    39    43   0.09700  1.0 1.0
   33    37    39    43   0.15600 -1.0 2.0
   33    37    39    43  -0.50800  1.0 3.0
   33    37    39    44   0.46850  1.0 1.0
   33    37    39    44   0.08550 -1.0 2.0
   33    37    39    44   0.09800  1.0 3.0
   33    37    39    48   0.18000  1.0 1.0
   33    37    39    48   0.16450 -1.0 2.0
   33    37    39    48   0.04450  1.0 3.0
   37    33    55    50   0.21200  1.0 1.0
   37    33    55    50   0.16900 -1.0 2.0
   37    33    55    50  -1.15100  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    33    58    51   0.34400  1.0 1.0
   37    33    58    51   0.09450 -1.0 2.0
   37    33    58    51   0.11100  1.0 3.0
   37    33    58    59   0.15000  1.0 3.0
   37    33    58    60   0.15000  1.0 3.0
   37    38   -40    50   0.15800  1.0 1.0
   37    38   -40    50   1.85350 -1.0 2.0
   37    38   -40    50  -0.48700  1.0 3.0
   37    38    40    71   0.15800  1.0 1.0
   37    38    40    71   1.85350 -1.0 2.0
   37    38    40    71  -0.48700  1.0 3.0
   37    38    41    42  -0.66100  1.0 1.0
   37    38    41    42   1.20850 -1.0 2.0
   37    38    41    42  -0.36000  1.0 3.0
   37    39   -43    51  -0.77900  1.0 1.0
   37    39   -43    51  -0.36900 -1.0 2.0
   37    39   -43    51   0.40400  1.0 3.0
   37    39    44    45   0.15000  1.0 3.0
   37    39    44    46   0.15000  1.0 3.0
   37    39    44    47   0.15000  1.0 3.0
   37    39    48    49  -0.07800  1.0 1.0
   37    39    48    49  -0.21500 -1.0 2.0
   37    39    48    49  -0.03150  1.0 3.0
   38    37    39    43   0.39000  1.0 1.0
   38    37    39    43  -0.05800 -1.0 2.0
   38    37    39    43  -0.55150  1.0 3.0
   38    37    39    44   0.09850  1.0 1.0
   38    37    39    44   0.15250 -1.0 2.0
   38    37    39    44  -0.50650  1.0 3.0
   38    37    39    48   0.67800  1.0 1.0
   38    37    39    48   0.47050 -1.0 2.0
   38    37    39    48  -0.62500  1.0 3.0
   38    40    50    53   3.62500 -1.0 2.0
   38    40    50    55   3.62500 -1.0 2.0
   38    40    71    69   3.62500 -1.0 2.0
   38    40    71    72   3.62500 -1.0 2.0
   40    38    41    42   2.00000 -1.0 2.0
   40    50    53    54   3.62500 -1.0 2.0
   40    50    53    64   3.62500 -1.0 2.0
   40    50   -55    33   0.04150 -1.0 2.0
   40    50    55    56   0.00000  1.0 1.0
   40    50    55    57   0.00000  1.0 1.0
   40    71    72    73   0.84100 -1.0 2.0
   50    40    71    69   3.62500 -1.0 2.0
   50    40    71    72   3.62500 -1.0 2.0
   50    53    64    65   3.62500 -1.0 2.0
   50    53   -64    69   3.62500 -1.0 2.0
   53    50    55    33   0.04150 -1.0 2.0
   53    50    55    56   0.00000  1.0 1.0
   53    50    55    57   0.00000  1.0 1.0
   53    64    69    70   3.62500 -1.0 2.0
   53    64    69    71   3.62500 -1.0 2.0
   54    53    64    65   3.62500 -1.0 2.0
   54    53    64    69   3.62500 -1.0 2.0
   64    69   -71    40   3.62500 -1.0 2.0
   64    69    71    72   3.62500 -1.0 2.0
   65    64    69    70   3.62500 -1.0 2.0
   65    64    69    71   3.62500 -1.0 2.0
   69    71    72    73   0.84100 -1.0 2.0
   70    69    71    40   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    40   -50    53   3.62500 -1.0 2.0
   71    40    50    55   3.62500 -1.0 2.0
   55    33   -37    38   0.09850  1.0 1.0
   55    33   -37    38   0.15250 -1.0 2.0
   55    33   -37    38  -0.50650  1.0 3.0
   55    33    37    39   0.46850  1.0 1.0
   55    33    37    39   0.08550 -1.0 2.0
   55    33    37    39   0.09800  1.0 3.0
   55    33    58    51   0.56750  1.0 1.0
   55    33    58    51  -0.07550 -1.0 2.0
   55    33    58    51   0.20000  1.0 3.0
   55    33    58    59   0.15000  1.0 3.0
   55    33    58    60   0.15000  1.0 3.0
   55    50    53    54   3.62500 -1.0 2.0
   55    50    53    64   3.62500 -1.0 2.0
   41    38    40    50  -0.01750  1.0 1.0
   41    38    40    50  -0.32000 -1.0 2.0
   41    38    40    50   0.00600  1.0 3.0
   41    38    40    71  -0.01750  1.0 1.0
   41    38    40    71  -0.32000 -1.0 2.0
   41    38    40    71   0.00600  1.0 3.0
   39    37    38    40   7.00000 -1.0 2.0
   39    37    38    41   7.00000 -1.0 2.0
   39    43    51    52   0.37050  1.0 3.0
   39    43    51    58   0.06250  1.0 1.0
   39    43    51    58  -0.01100 -1.0 2.0
   39    43    51    58   0.28050  1.0 3.0
   39    43    51    61   0.06250  1.0 1.0
   39    43    51    61  -0.01100 -1.0 2.0
   39    43    51    61   0.28050  1.0 3.0
   43    39    44    45   0.23400  1.0 3.0
   43    39    44    46   0.23400  1.0 3.0
   43    39    44    47   0.23400  1.0 3.0
   43    39    48    49  -0.50000  1.0 1.0
   43    39    48    49  -0.73950 -1.0 2.0
   43    39    48    49   0.17150  1.0 3.0
   43    51   -58    33   0.62750  1.0 1.0
   43    51   -58    33  -0.30950 -1.0 2.0
   43    51   -58    33   0.27300  1.0 3.0
   43    51    58    59   0.23400  1.0 3.0
   43    51    58    60   0.23400  1.0 3.0
   43    51    61    62   0.23400  1.0 3.0
   43    51    61    63   0.23400  1.0 3.0
   43    51    61    66  -3.35100  1.0 1.0
   43    51    61    66  -0.37050 -1.0 2.0
   43    51    61    66   0.22400  1.0 3.0
   51    61    66    67   0.41150 -1.0 2.0
   51    61    66    68   0.41150 -1.0 2.0
   52    51    58    33   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    63   0.15000  1.0 3.0
   52    51    61    66  -0.11250  1.0 3.0
   58    33    37    38   0.09850  1.0 1.0
   58    33    37    38   0.15250 -1.0 2.0
   58    33    37    38  -0.50650  1.0 3.0
   58    33   -37    39   0.46850  1.0 1.0
   58    33   -37    39   0.08550 -1.0 2.0
   58    33   -37    39   0.09800  1.0 3.0
   58    33    55    50  -0.03700  1.0 1.0
   58    33    55    50   0.37200 -1.0 2.0
   58    33    55    50  -0.47300  1.0 3.0
   58    33    55    56   0.15000  1.0 3.0
   58    33    55    57   0.15000  1.0 3.0
   58    51    61    62   0.15000  1.0 3.0
   58    51    61    63   0.15000  1.0 3.0
   58    51    61    66  -1.63150  1.0 1.0
   58    51    61    66  -0.43550 -1.0 2.0
   58    51    61    66   0.24500  1.0 3.0
   61    51    58    33   0.56750  1.0 1.0
   61    51    58    33  -0.07550 -1.0 2.0
   61    51    58    33   0.20000  1.0 3.0
   61    51    58    59   0.15000  1.0 3.0
   61    51    58    60   0.15000  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    68   0.00000  1.0 1.0
   63    61    66    67   0.00000  1.0 1.0
   63    61    66    68   0.00000  1.0 1.0
   44    39    43    51   0.06250  1.0 1.0
   44    39    43    51  -0.01100 -1.0 2.0
   44    39    43    51   0.28050  1.0 3.0
   44    39    48    49  -0.11600  1.0 1.0
   44    39    48    49  -0.09450 -1.0 2.0
   44    39    48    49   0.21250  1.0 3.0
   48    39    43    51  -0.81800  1.0 1.0
   48    39    44    45   0.23400  1.0 3.0
   48    39    44    46   0.23400  1.0 3.0
   48    39    44    47   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    39    37    38   1.10000 -1.0 2.0
   40    41    38    37   1.10000 -1.0 2.0
   50    71    40    38   4.00000 -1.0 2.0
   53    55    50    40   4.00000 -1.0 2.0
   64    54    53    50   1.10000 -1.0 2.0
   69    65    64    53   1.10000 -1.0 2.0
   71    70    69    64   1.10000 -1.0 2.0
   69    72    71    40   4.00000 -1.0 2.0
   67    61    66    68  10.50000 -1.0 2.0
END
