* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    239     429
    1     0 S   NP   _N1_     1    29.42658    92.47030   -18.76225
    2     1 S   H    _HN1     2     1.02954   114.44983    29.85791
    3     1 S   H    _H1_     3     1.02843    33.76840   114.25576
    4     1 S   H    _H2_     4     1.02784    74.35152   -73.48181
    5     1 S   CT   _CA1     5     1.50128   129.40360  -179.57022
    6     5 S   HC   _HA1     6     1.09565   105.30785    26.56693
    7     5 S   CO3  _C1_     7     1.53954   111.94966   -93.80247
    8     7 S   O2Z  _O11     8     1.26385   115.06039   -50.98239
    9     7 S   O2Z  _O12     9     1.26221   114.88439   127.83615
   10     5 S   CT   _CB1    10     1.53072   107.40822   144.53648
   11    10 S   HC   HB11    11     1.09820   109.75611   -48.09047
   12    10 S   HC   HB12    12     1.09841   110.26024    68.49196
   13    10 S   CT   _CG1    13     1.53090   112.59641  -169.12688
   14    13 S   HC   HG11    14     1.09436   110.36900   -52.13003
   15    13 S   HC   HG12    15     1.09585   110.35072    66.79219
   16    13 S   C    _CD1    16     1.51789   111.24570  -173.39425
   17    16 S   O    _OE1    17     1.22818   122.66873   -27.42627
   18    16 S   N    _N2_    18     1.38526   112.34169   153.19731
   19    18 S   H    _HN2    19     1.01602   119.16330     1.72896
   20    18 S   CT1  _CA2    20     1.46308   123.22502  -174.62152
   21    20 S   HC   _HA2    21     1.09725   109.34198   -15.39488
   22    20 S   C    _C2_    22     1.53288   108.59423  -131.44201
   23    22 S   O    _O2_    23     1.23015   122.21450  -146.14440
   24    20 S   CT   _CB2    32     1.53609   111.12924   106.38579
   25    24 S   HC   HB21    33     1.09561   109.32520    58.25501
   26    24 S   HC   HB22    34     1.09502   110.84235   176.74244
   27    22 S   N    _N3_    24     1.38499   113.34777    41.28931
   28    27 S   H    _HN3    25     1.01534   118.90514    -0.68414
   29    24 S   S    _SG2    35     1.82838   111.48402   -63.40193
   30    27 S   CT   _CA3    26     1.45433   123.34426   175.00739
   31    30 S   HC   HA31    27     1.09532   109.09246    27.05732
   32    30 S   HC   HA32    28     1.09491   107.16054   144.04391
   33    29 S   CT   _C13    36     1.82792    99.82923   147.71466
   34    33 S   HC   _H3_    37     1.09463   108.59774   -36.65072
   35    30 S   CO3  _C3_    29     1.52934   113.21224   -96.31166
   36    35 S   O2Z  _O31    30     1.26395   115.45672   -43.50106
   37    35 S   O2Z  _O32    31     1.26363   114.94945   137.44003
   38    33 S   CT   _C12    38     1.53018   113.92793    81.15277
   39    38 S   HC   _H31    39     1.09511   111.96147   -74.23534
   40    38 S   C3T  _C15    40     1.50243   101.35100   165.59060
   41    38 S   OH   _O19    73     1.42219   112.53876    48.71337
   42    41 S   HO   _H39    74     0.97261   107.20331   -52.05141
   43    40 S   C3T  _C8_    41     1.52239   121.35922   129.86397
   44    43 S   HC   _H26    42     1.08143   120.49264  -155.35464
   45    43 S   HC   _H27    43     1.08300   118.49002    -6.35295
   46    40 S   CT   _C14    45     1.55238   111.07494   -30.62418
   47    40 S   O3T  _O18    44     1.44104   114.11647  -164.90476
   48    46 S   CT   _C7_    46     1.55751   111.97118   129.25251
   49    48 S   HC   _H24    47     1.09715   109.06715    99.83526
   50    48 S   HC   _H25    48     1.09651   109.97682   -15.64889
   51    46 S   CT   _C18    69     1.55164   107.49703  -110.56345
   52    51 S   HC   _H36    70     1.09631   111.66313    52.16490
   53    51 S   HC   _H37    71     1.09689   110.92737   -66.50152
   54    51 S   HC   _H38    72     1.08687   113.21790   173.66531
   55    48 S   CT   _C11    49     1.53785   116.40030  -137.35996
   56    55 S   HC   _H30    50     1.09497   110.85896  -154.71785
   57    55 S   CT   _C10    51     1.52467   116.80730   -24.08570
   58    57 S   HC   _H29    52     1.10433   106.23965   177.37982
   59    57 S   CT   _C9_    53     1.53530    97.21887    67.35351
   60    59 S   HC   _H28    54     1.09531   110.82297   162.29887
   61    57 S   CM   _C6_    61     1.50814   119.99305   -66.03954
   62    59 S   CO4  _C4_    55     1.51659    97.15700    48.32934
   63    62 S   O    _O16    56     1.21977   126.81198   148.42607
   64    33 S   CT   _C16    58     1.56866   113.88524  -158.42711
   65    61 S   CM   _C5_    62     1.34340   122.92855   148.95513
   66    65 S   HC   _H22    63     1.08529   121.35447   177.69268
   67    65 S   HC   _H23    64     1.08380   122.05425    -1.37942
   68    61 S   CT   _C17    65     1.50508   116.82937   -36.15456
   69    68 S   HC   _H33    66     1.09497   110.25609   -53.42935
   70    68 S   HC   _H34    67     1.09392   110.79437    66.88422
   71    68 S   HC   _H35    68     1.09537   112.17421  -173.11587
   72    55 S   OS   _O17    57     1.44688   107.05126    88.65115
   73    64 S   OH   _O20    59     1.43569   108.17680   -45.71360
   74    73 S   HO   _H40    60     0.97328   107.54023    53.98257
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  14   7  18   5   1   7   3   2  18   3  16
   7   6   7   3   2   1  12   6  16   8  10   6  10   4   2   3
   6   2   1   3   2   1   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    64    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    59    64    73    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    46    48    57    59    60    62    64    73    74    51    41    42  
   38    39    40    46    59    64    73    41  
   36    37  
   37  
    0  
   39    40    43    44    45    47    46    48    59    64    73    51    41    42  
   40    43    47    46    64    41    42  
   43    44    45    47    46    48    49    50    55    59    64    73    51    52    53    54    41    42  
   42    43    46    47    64  
    0  
   44    45    47    46    48    64    51  
   45    47    46  
   47    46  
   48    49    50    55    56    57    59    60    62    72    64    73    74    51    52    53    54    47  
   48    64    51  
   49    50    55    56    57    58    59    62    72    64    73    61    51    52    53    54  
   50    55    56    57    72    64    51  
   55    56    57    72    64    51  
   52    53    54    55    59    64    73  
   53    54    64  
   54    64  
   64  
   56    57    58    59    60    62    63    72    64    61    65    68  
   57    58    59    62    72    61  
   58    59    60    62    63    72    64    73    61    65    66    67    68    69    70    71  
   59    60    62    72    64    61    65    68  
   60    62    63    72    64    73    74    61    65    68  
   62    63    72    64    73    61  
   65    66    67    68    69    70    71    62    64    72  
   63    72    64    73  
   72    64  
   73    74    72  
   66    67    68    69    70    71  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    64   268.000  1.529
   38    39   340.000  1.090
   38    40   275.000  1.510
   38    41   320.000  1.410
   40    43   260.000  1.509
   40    47   335.000  1.432
   40    46   275.000  1.510
   43    44   340.000  1.088
   43    45   340.000  1.088
   43    47   335.000  1.432
   46    48   268.000  1.529
   46    64   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    72   320.000  1.410
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   317.000  1.510
   59    60   340.000  1.090
   59    62   317.000  1.522
   59    64   268.000  1.529
   62    63   570.000  1.229
   62    72   214.000  1.327
   64    73   320.000  1.410
   73    74   553.000  0.945
   61    65   549.000  1.340
   61    68   317.000  1.510
   65    66   340.000  1.080
   65    67   340.000  1.080
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    64    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.37300
   33    38    41    50.00000  109.50000
   33    64    46    58.35000  112.70000
   33    64    59    58.35000  112.70000
   33    64    73    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    60.00000  120.94000
   38    40    47    80.00000  116.47100
   38    40    46    58.35000  112.70000
   38    41    42    55.00000  108.50000
   40    38    39    45.00000  109.38400
   40    43    44    37.50000  117.20000
   40    43    45    37.50000  117.20000
   40    43    47    15.00000   60.43100
   40    47    43    15.00000   59.14900
   40    46    48    70.00000  112.37300
   40    46    64    70.00000  112.37300
   40    46    51    70.00000  112.37300
   45    43    44    35.00000  114.30000
   47    40    43    15.00000   60.43100
   47    43    44    50.00000  114.27700
   47    43    45    50.00000  114.27700
   46    40    43    60.00000  120.94000
   46    40    47    80.00000  116.47100
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    55    58.35000  112.70000
   46    64    59    58.35000  112.70000
   46    64    73    50.00000  109.50000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    58.35000  112.70000
   48    55    72    50.00000  109.50000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    58.35000  112.70000
   55    57    61    70.00000  112.02700
   55    72    62    83.00000  116.90000
   57    55    56    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    62    63.00000  111.10000
   57    59    64    58.35000  112.70000
   57    61    65    70.00000  124.00000
   57    61    68    65.00000  117.92700
   59    57    58    37.50000  110.70000
   59    62    63    80.00000  120.40000
   59    62    72    81.00000  111.40000
   59    64    73    50.00000  109.50000
   62    59    60    35.00000  109.50000
   72    55    56    35.00000  109.50000
   72    55    57    50.00000  109.50000
   72    62    63    83.00000  123.40000
   64    33    34    37.50000  110.70000
   64    33    38    58.35000  112.70000
   64    46    48    58.35000  112.70000
   64    59    60    37.50000  110.70000
   64    59    62    63.00000  111.10000
   64    73    74    55.00000  108.50000
   61    57    58    35.00000  109.50000
   61    57    59    70.00000  112.02700
   61    65    66    35.00000  120.00000
   61    65    67    35.00000  120.00000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   67    65    66    35.00000  117.00000
   68    61    65    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   51    46    48    58.35000  112.70000
   51    46    64    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    64   0.01700  1.0 1.0
   24    29    33    64  -0.23550 -1.0 2.0
   24    29    33    64   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    64    46   0.44750  1.0 1.0
   29    33    64    46  -0.17800 -1.0 2.0
   29    33    64    46   0.20200  1.0 3.0
   29    33    64    59   0.44750  1.0 1.0
   29    33    64    59  -0.17800 -1.0 2.0
   29    33    64    59   0.20200  1.0 3.0
   29    33    64    73   0.56750  1.0 1.0
   29    33    64    73  -0.07550 -1.0 2.0
   29    33    64    73   0.20000  1.0 3.0
   33    38    40    43   0.07850  1.0 1.0
   33    38    40    43  -0.03950 -1.0 2.0
   33    38    40    43   0.67350  1.0 3.0
   33    38    40    47   0.02550  1.0 1.0
   33    38    40    47  -0.02600 -1.0 2.0
   33    38    40    47   1.20400  1.0 3.0
   33    38   -40    46   0.56750  1.0 1.0
   33    38   -40    46  -0.07550 -1.0 2.0
   33    38   -40    46   0.20000  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    64    73    74  -0.11600  1.0 1.0
   33    64    73    74  -0.09450 -1.0 2.0
   33    64    73    74   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    64    46   0.15000  1.0 3.0
   34    33    64    59   0.15000  1.0 3.0
   34    33    64    73   0.23400  1.0 3.0
   38    33   -64    46   0.56750  1.0 1.0
   38    33   -64    46  -0.07550 -1.0 2.0
   38    33   -64    46   0.20000  1.0 3.0
   38    33    64    59   0.56750  1.0 1.0
   38    33    64    59  -0.07550 -1.0 2.0
   38    33    64    59   0.20000  1.0 3.0
   38    33    64    73   0.86500  1.0 1.0
   38    33    64    73  -0.17500 -1.0 2.0
   38    33    64    73   0.20800  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    45   0.15000  1.0 3.0
   38    40   -43    47   0.02550  1.0 1.0
   38    40   -43    47  -0.02600 -1.0 2.0
   38    40   -43    47   1.20400  1.0 3.0
   38    40   -47    43   0.06250  1.0 1.0
   38    40   -47    43  -0.01100 -1.0 2.0
   38    40   -47    43   0.28050  1.0 3.0
   38    40    46    48   0.56750  1.0 1.0
   38    40    46    48  -0.07550 -1.0 2.0
   38    40    46    48   0.20000  1.0 3.0
   38    40   -46    64   0.56750  1.0 1.0
   38    40   -46    64  -0.07550 -1.0 2.0
   38    40   -46    64   0.20000  1.0 3.0
   38    40    46    51   0.56750  1.0 1.0
   38    40    46    51  -0.07550 -1.0 2.0
   38    40    46    51   0.20000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    47   0.23400  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.11600  1.0 1.0
   40    38    41    42  -0.09450 -1.0 2.0
   40    38    41    42   0.21250  1.0 3.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    50   0.15000  1.0 3.0
   40    46    48    55   0.47050  1.0 1.0
   40    46    48    55   0.03900 -1.0 2.0
   40    46    48    55   0.20100  1.0 3.0
   40    46   -64    33   0.47050  1.0 1.0
   40    46   -64    33   0.03900 -1.0 2.0
   40    46   -64    33   0.20100  1.0 3.0
   40    46    64    59   0.47050  1.0 1.0
   40    46    64    59   0.03900 -1.0 2.0
   40    46    64    59   0.20100  1.0 3.0
   40    46    64    73   0.86500  1.0 1.0
   40    46    64    73  -0.17500 -1.0 2.0
   40    46    64    73   0.20800  1.0 3.0
   40    46    51    52   0.15000  1.0 3.0
   40    46    51    53   0.15000  1.0 3.0
   40    46    51    54   0.15000  1.0 3.0
   43    40    46    48   0.07850  1.0 1.0
   43    40    46    48  -0.03950 -1.0 2.0
   43    40    46    48   0.67350  1.0 3.0
   43    40    46    64   0.07850  1.0 1.0
   43    40    46    64  -0.03950 -1.0 2.0
   43    40    46    64   0.67350  1.0 3.0
   43    40    46    51   0.07850  1.0 1.0
   43    40    46    51  -0.03950 -1.0 2.0
   43    40    46    51   0.67350  1.0 3.0
   44    43   -47    40   0.36800  1.0 3.0
   45    43   -47    40   0.36800  1.0 3.0
   47    40   -43    44   0.23400  1.0 3.0
   47    40   -43    45   0.23400  1.0 3.0
   47    40    46    48   0.02550  1.0 1.0
   47    40    46    48  -0.02600 -1.0 2.0
   47    40    46    48   1.20400  1.0 3.0
   47    40    46    64   0.02550  1.0 1.0
   47    40    46    64  -0.02600 -1.0 2.0
   47    40    46    64   1.20400  1.0 3.0
   47    40    46    51   0.02550  1.0 1.0
   47    40    46    51  -0.02600 -1.0 2.0
   47    40    46    51   1.20400  1.0 3.0
   46    40    43    44   0.15000  1.0 3.0
   46    40    43    45   0.15000  1.0 3.0
   46    40   -43    47   0.02550  1.0 1.0
   46    40   -43    47  -0.02600 -1.0 2.0
   46    40   -43    47   1.20400  1.0 3.0
   46    40   -47    43   0.06250  1.0 1.0
   46    40   -47    43  -0.01100 -1.0 2.0
   46    40   -47    43   0.28050  1.0 3.0
   46    48    55    56   0.15000  1.0 3.0
   46    48    55    57   0.56750  1.0 1.0
   46    48    55    57  -0.07550 -1.0 2.0
   46    48    55    57   0.20000  1.0 3.0
   46    48    55    72   0.62750  1.0 1.0
   46    48    55    72  -0.30950 -1.0 2.0
   46    48    55    72   0.27300  1.0 3.0
   46    64    73    74  -0.11600  1.0 1.0
   46    64    73    74  -0.09450 -1.0 2.0
   46    64    73    74   0.21250  1.0 3.0
   48    46    64    33   0.56750  1.0 1.0
   48    46    64    33  -0.07550 -1.0 2.0
   48    46    64    33   0.20000  1.0 3.0
   48    46    64    59   0.56750  1.0 1.0
   48    46    64    59  -0.07550 -1.0 2.0
   48    46    64    59   0.20000  1.0 3.0
   48    46    64    73   0.86500  1.0 1.0
   48    46    64    73  -0.17500 -1.0 2.0
   48    46    64    73   0.20800  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    54   0.15000  1.0 3.0
   48    55    57    58   0.15000  1.0 3.0
   48    55   -57    59   0.56750  1.0 1.0
   48    55   -57    59  -0.07550 -1.0 2.0
   48    55   -57    59   0.20000  1.0 3.0
   48    55    57    61   0.34400  1.0 1.0
   48    55    57    61   0.09450 -1.0 2.0
   48    55    57    61   0.11100  1.0 3.0
   48    55    72    62  -0.25900  1.0 1.0
   48    55    72    62  -0.47000 -1.0 2.0
   48    55    72    62   0.11750  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   49    48    55    72   0.23400  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    57   0.15000  1.0 3.0
   50    48    55    72   0.23400  1.0 3.0
   55    57    59    60   0.15000  1.0 3.0
   55    57   -59    62  -0.95700  1.0 1.0
   55    57   -59    62  -0.18200 -1.0 2.0
   55    57   -59    62   0.29450  1.0 3.0
   55    57    59    64   0.56750  1.0 1.0
   55    57    59    64  -0.07550 -1.0 2.0
   55    57    59    64   0.20000  1.0 3.0
   55    57    61    65   0.09850  1.0 1.0
   55    57    61    65   0.15250 -1.0 2.0
   55    57    61    65  -0.50650  1.0 3.0
   55    57    61    68   0.46850  1.0 1.0
   55    57    61    68   0.08550 -1.0 2.0
   55    57    61    68   0.09800  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    61   0.15000  1.0 3.0
   56    55    72    62   0.08050  1.0 3.0
   57    55   -72    62  -0.25900  1.0 1.0
   57    55   -72    62  -0.47000 -1.0 2.0
   57    55   -72    62   0.11750  1.0 3.0
   57    59    62    63   0.30150 -1.0 2.0
   57    59   -62    72   0.36750  1.0 3.0
   57    59    64    33   0.56750  1.0 1.0
   57    59    64    33  -0.07550 -1.0 2.0
   57    59    64    33   0.20000  1.0 3.0
   57    59   -64    46   0.56750  1.0 1.0
   57    59   -64    46  -0.07550 -1.0 2.0
   57    59   -64    46   0.20000  1.0 3.0
   57    59    64    73   0.86500  1.0 1.0
   57    59    64    73  -0.17500 -1.0 2.0
   57    59    64    73   0.20800  1.0 3.0
   57    61    65    66   7.00000 -1.0 2.0
   57    61    65    67   7.00000 -1.0 2.0
   57    61    68    69   0.34800  1.0 3.0
   57    61    68    70   0.34800  1.0 3.0
   57    61    68    71   0.34800  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    62  -0.11250  1.0 3.0
   58    57    59    64   0.15000  1.0 3.0
   58    57    61    65   0.00000  1.0 1.0
   58    57    61    68   0.34800  1.0 3.0
   59    57    61    65   0.09850  1.0 1.0
   59    57    61    65   0.15250 -1.0 2.0
   59    57    61    65  -0.50650  1.0 3.0
   59    57    61    68   0.46850  1.0 1.0
   59    57    61    68   0.08550 -1.0 2.0
   59    57    61    68   0.09800  1.0 3.0
   59    62   -72    55   1.63150  1.0 1.0
   59    62   -72    55   2.92000 -1.0 2.0
   59    64    73    74  -0.11600  1.0 1.0
   59    64    73    74  -0.09450 -1.0 2.0
   59    64    73    74   0.21250  1.0 3.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    72   0.00000  1.0 1.0
   60    59    64    33   0.15000  1.0 3.0
   60    59    64    46   0.15000  1.0 3.0
   60    59    64    73   0.23400  1.0 3.0
   62    59    64    33  -0.95700  1.0 1.0
   62    59    64    33  -0.18200 -1.0 2.0
   62    59    64    33   0.29450  1.0 3.0
   62    59    64    46  -0.95700  1.0 1.0
   62    59    64    46  -0.18200 -1.0 2.0
   62    59    64    46   0.29450  1.0 3.0
   62    59    64    73  -0.09450  1.0 1.0
   62    59    64    73  -1.12950 -1.0 2.0
   62    59    64    73   0.54000  1.0 3.0
   63    62    72    55   3.00000 -1.0 2.0
   72    55    57    58   0.23400  1.0 3.0
   72    55   -57    59   0.62750  1.0 1.0
   72    55   -57    59  -0.30950 -1.0 2.0
   72    55   -57    59   0.27300  1.0 3.0
   72    55    57    61   0.61850  1.0 1.0
   72    55    57    61  -0.22750 -1.0 2.0
   72    55    57    61   0.15300  1.0 3.0
   64    33    38    39   0.15000  1.0 3.0
   64    33   -38    40   0.47050  1.0 1.0
   64    33   -38    40   0.03900 -1.0 2.0
   64    33   -38    40   0.20100  1.0 3.0
   64    33    38    41   0.86500  1.0 1.0
   64    33    38    41  -0.17500 -1.0 2.0
   64    33    38    41   0.20800  1.0 3.0
   64    46    48    49   0.15000  1.0 3.0
   64    46    48    50   0.15000  1.0 3.0
   64    46   -48    55   0.56750  1.0 1.0
   64    46   -48    55  -0.07550 -1.0 2.0
   64    46   -48    55   0.20000  1.0 3.0
   64    46    51    52   0.15000  1.0 3.0
   64    46    51    53   0.15000  1.0 3.0
   64    46    51    54   0.15000  1.0 3.0
   64    59    62    63   0.30150 -1.0 2.0
   64    59    62    72   0.36750  1.0 3.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    62  -0.98800  1.0 1.0
   61    57    59    62   0.48800 -1.0 2.0
   61    57    59    62   0.76800  1.0 3.0
   61    57    59    64   0.34400  1.0 1.0
   61    57    59    64   0.09450 -1.0 2.0
   61    57    59    64   0.11100  1.0 3.0
   65    61    68    69   0.00000  1.0 1.0
   65    61    68    70   0.00000  1.0 1.0
   65    61    68    71   0.00000  1.0 1.0
   68    61    65    66   7.00000 -1.0 2.0
   68    61    65    67   7.00000 -1.0 2.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    55   0.56750  1.0 1.0
   51    46    48    55  -0.07550 -1.0 2.0
   51    46    48    55   0.20000  1.0 3.0
   51    46    64    33   0.56750  1.0 1.0
   51    46    64    33  -0.07550 -1.0 2.0
   51    46    64    33   0.20000  1.0 3.0
   51    46    64    59   0.56750  1.0 1.0
   51    46    64    59  -0.07550 -1.0 2.0
   51    46    64    59   0.20000  1.0 3.0
   51    46    64    73   0.86500  1.0 1.0
   51    46    64    73  -0.17500 -1.0 2.0
   51    46    64    73   0.20800  1.0 3.0
   41    38    40    43   0.86500  1.0 1.0
   41    38    40    43  -0.17500 -1.0 2.0
   41    38    40    43   0.20800  1.0 3.0
   41    38    40    47   3.69350  1.0 1.0
   41    38    40    47  -1.82950 -1.0 2.0
   41    38    40    46   0.86500  1.0 1.0
   41    38    40    46  -0.17500 -1.0 2.0
   41    38    40    46   0.20800  1.0 3.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   59    72    62    63  10.50000 -1.0 2.0
   57    68    61    65  15.00000 -1.0 2.0
   66    67    65    61  15.00000 -1.0 2.0
END
