* LIGAND DATABASE FILE (OPLS2005)
*
001      70    73    136    217     393
    1     0 S   NP   _N1_     1    28.11094    97.17538   -23.36811
    2     1 S   H    _HN1     2     1.02957    73.12359    -7.14218
    3     1 S   H    _H1_     3     1.02836    35.51659   155.16126
    4     1 S   H    _H2_     4     1.02777   109.48824  -111.10977
    5     1 S   CT   _CA1     5     1.50145   133.84064    95.18595
    6     5 S   HC   _HA1     6     1.09576   105.19357    91.74459
    7     5 S   CO3  _C1_     7     1.53769   112.32135   -28.40579
    8     7 S   O2Z  _O11     8     1.26368   114.98965   -44.40178
    9     7 S   O2Z  _O12     9     1.26229   114.92262   134.56583
   10     5 S   CT   _CB1    10     1.53084   107.40677  -150.38340
   11    10 S   HC   HB11    11     1.09831   109.28586   -50.41924
   12    10 S   HC   HB12    12     1.09815   110.45023    66.11473
   13    10 S   CT   _CG1    13     1.53038   112.70930  -171.47613
   14    13 S   HC   HG11    14     1.09590   110.52853   -65.34962
   15    13 S   HC   HG12    15     1.09659   109.88756    53.87100
   16    13 S   C    _CD1    16     1.51857   112.23019   174.20962
   17    16 S   O    _OE1    17     1.22768   123.25195     2.55183
   18    16 S   N    _N2_    18     1.38573   111.80347  -177.41169
   19    18 S   H    _HN2    19     1.01561   119.09132     3.75765
   20    18 S   CT1  _CA2    20     1.45802   122.75425   177.53169
   21    20 S   HC   _HA2    21     1.09739   108.84402    26.00287
   22    20 S   C    _C2_    22     1.52992   107.15896   -90.93887
   23    22 S   O    _O2_    23     1.22971   123.12232   -25.23890
   24    20 S   CT   _CB2    32     1.53180   112.38906   149.15813
   25    24 S   HC   HB21    33     1.09599   110.37152    54.47604
   26    24 S   HC   HB22    34     1.09474   109.90019   173.34292
   27    22 S   N    _N3_    24     1.38519   112.50451   157.47923
   28    27 S   H    _HN3    25     1.01656   120.31536    -2.38540
   29    24 S   S    _SG2    35     1.82599   111.30825   -66.23153
   30    27 S   CT   _CA3    26     1.45353   122.54243   178.46138
   31    30 S   HC   HA31    27     1.09567   107.94589   -53.14440
   32    30 S   HC   HA32    28     1.09560   107.50116    63.21888
   33    29 S   CT   _C12    36     1.84571    99.40703  -178.92553
   34    33 S   HC   _H6_    37     1.10075   105.96306   -45.77985
   35    30 S   CO3  _C3_    29     1.52899   114.28297  -175.08235
   36    35 S   O2Z  _O31    30     1.26339   116.04860     1.64354
   37    35 S   O2Z  _O32    31     1.26434   114.41741  -178.43627
   38    33 S   CM   _C11    38     1.49815   110.59006    71.22061
   39    33 S   CT   _C13    57     1.58329   112.88887  -164.65791
   40    39 S   OM   _O34    58     1.32652   108.17094    71.92221
   41    39 S   HC   _H7_    59     1.09636   106.27982   -57.01301
   42    38 S   CM   _C10    39     1.33229   125.72851  -136.12195
   43    42 S   HC   _H14    40     1.08153   123.93902     7.26820
   44    42 S   CT   _C9_    41     1.47557   111.71933  -163.70850
   45    44 S   HC   _H5_    42     1.09481   109.22006  -124.40114
   46    44 S   CT   _C8_    43     1.55868   116.50699   106.32016
   47    46 S   HC   _H4_    44     1.09833   109.43547  -116.62589
   48    44 S   OS   _O36    68     1.44030   102.58607   -11.15964
   49    46 S   CM   _C16    45     1.49772   113.17064   125.57189
   50    38 S   CO4  _C15    69     1.46910   127.47967    54.12599
   51    50 S   O    _O35    70     1.21805   126.52970    -9.37211
   52    49 S   CO4  _C18    46     1.47164   110.21355  -138.12939
   53    52 S   O    _O37    47     1.21774   127.01098  -175.49263
   54    49 S   CM   _C17    65     1.33740   129.08937    43.52248
   55    54 S   HC   _H15    66     1.08493   121.20306    -0.03956
   56    54 S   HC   _H16    67     1.08549   121.80388   179.18627
   57    52 S   OS   _O38    48     1.35617   107.34866     3.36674
   58    46 S   CT   _C7_    49     1.54181   117.43012     8.12009
   59    58 S   HC   _H3_    50     1.09332   113.05024    24.04744
   60    58 S   CT   _C6_    51     1.54102   115.94169  -103.59473
   61    60 S   HC   _H12    52     1.09921   107.90451  -173.00706
   62    60 S   HC   _H13    53     1.09843   109.09836   -60.54061
   63    60 S   C3T  _C5_    54     1.51186   115.77663    64.07897
   64    63 S   C3T  _C14    55     1.54209   118.54078    64.71994
   65    64 S   HC   _H8_    56     1.08643   117.80709    -4.12265
   66    63 S   CT   _C4_    61     1.50394   115.38531  -103.37690
   67    66 S   HC   _H9_    62     1.09232   113.27196  -177.22385
   68    66 S   HC   _H10    63     1.09171   111.26071    60.69777
   69    66 S   HC   _H11    64     1.09601   109.79066   -57.97939
   70    63 S   O3T  _O33    60     1.44415   113.59701   128.72549
  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   9   5   4   3
  15   7   2   1   1  12  10   5   4  10   5  13   6  16   8   4
   9   1   1   8   3   4   1   1   6   8   4  10   5   4   7   6
   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    64    39    40    41    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    63    64    65    39    40    41    70    48    50    51  
   38    42    64    39    40    41    50  
   36    37  
   37  
    0  
   42    43    44    45    46    64    39    40    41    48    50    51  
   40    41    70    66    50    42    60    63    64    65  
   41    70    63    64    65  
   70    63    64    65  
   43    44    45    46    47    49    58    48    50    51  
   44    45    46    48    50  
   45    46    47    49    52    57    58    59    60    54    48    50    51  
   46    47    49    58    48    50  
   47    49    52    53    57    58    59    60    61    62    63    54    55    56    48    50  
   49    52    57    58    59    60    54    48  
   50    51    49    58  
   52    53    57    58    59    60    54    55    56  
   51  
    0  
   53    57    58    59    60    54    55    56  
   57    58    54  
   55    56    57    58  
   56  
    0  
   58    59    60    61    62    63  
   59    60    61    62    63    64    70    66  
   60    61    62    63  
   61    62    63    64    65    70    66    67    68    69  
   62    63    64    70    66  
   63    64    70    66  
   64    65    70    66    67    68    69  
   65    70    66    67    68    69  
   70    66  
   67    68    69    70  
   68    69    70  
   69    70  
   70  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   549.000  1.340
   38    50   320.000  1.462
   42    43   340.000  1.080
   42    44   317.000  1.510
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   320.000  1.410
   46    47   340.000  1.090
   46    49   317.000  1.510
   46    58   268.000  1.529
   49    52   320.000  1.462
   49    54   549.000  1.340
   52    53   570.000  1.229
   52    57   214.000  1.327
   57    58   320.000  1.410
   58    59   340.000  1.090
   58    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   275.000  1.510
   63    64   260.000  1.509
   63    70   335.000  1.432
   63    66   275.000  1.510
   64    65   340.000  1.088
   64    39   275.000  1.510
   64    70   335.000  1.432
   39    40   570.000  1.307
   39    41   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   54    55   340.000  1.080
   54    56   340.000  1.080
   48    50   214.000  1.327
   50    51   570.000  1.229
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  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    50    65.00000  116.34900
   33    39    64    70.00000  112.37300
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    70.00000  124.00000
   38    50    48    90.00000  111.29400
   38    50    51    80.00000  123.72100
   42    44    45    35.00000  109.50000
   42    44    46    70.00000  112.02700
   42    44    48    85.00000  110.90400
   44    42    43    35.00000  117.00000
   44    46    47    37.50000  110.70000
   44    46    49    70.00000  112.02700
   44    46    58    58.35000  112.70000
   44    48    50    83.00000  116.90000
   46    44    45    37.50000  110.70000
   46    49    52    65.00000  116.34900
   46    49    54    70.00000  124.00000
   46    58    57    50.00000  109.50000
   46    58    59    37.50000  110.70000
   46    58    60    58.35000  112.70000
   49    46    47    35.00000  109.50000
   49    52    53    80.00000  123.72100
   49    52    57    90.00000  111.29400
   49    54    55    35.00000  120.00000
   49    54    56    35.00000  120.00000
   52    57    58    83.00000  116.90000
   57    52    53    83.00000  123.40000
   57    58    59    35.00000  109.50000
   57    58    60    50.00000  109.50000
   58    46    47    37.50000  110.70000
   58    46    49    70.00000  112.02700
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    63    70.00000  112.37300
   60    58    59    37.50000  110.70000
   60    63    64    60.00000  120.94000
   60    63    70    80.00000  116.47100
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    45.00000  109.38400
   63    60    62    45.00000  109.38400
   63    64    65    37.50000  117.20000
   63    64    39    60.00000  120.94000
   63    64    70    15.00000   60.43100
   63    70    64    15.00000   59.14900
   63    66    67    45.00000  109.38400
   63    66    68    45.00000  109.38400
   63    66    69    45.00000  109.38400
   64    39    40    50.00000  109.50000
   64    39    41    45.00000  109.38400
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    64    65    40.00000  115.04500
   41    39    40    45.00000  125.66300
   70    63    64    15.00000   60.43100
   70    64    65    50.00000  114.27700
   70    64    39    80.00000  116.47100
   66    63    64    60.00000  120.94000
   66    63    70    80.00000  116.47100
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   54    49    52    65.00000  118.96000
   56    54    55    35.00000  117.00000
   48    44    45    35.00000  109.50000
   48    44    46    50.00000  109.50000
   48    50    51    83.00000  123.40000
   50    38    42    65.00000  118.96000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    50   0.09700  1.0 1.0
   29    33    38    50   0.15600 -1.0 2.0
   29    33    38    50  -0.50800  1.0 3.0
   29    33    39    64   0.44750  1.0 1.0
   29    33    39    64  -0.17800 -1.0 2.0
   29    33    39    64   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   33    38    50    48  -0.15000  1.0 1.0
   33    38    50    48   0.89550 -1.0 2.0
   33    38    50    48  -0.06900  1.0 3.0
   33    38    50    51  -0.64400  1.0 1.0
   33    38    50    51   0.26850 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    50   0.15000  1.0 3.0
   34    33    39    64   0.15000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    64   0.34400  1.0 1.0
   38    33    39    64   0.09450 -1.0 2.0
   38    33    39    64   0.11100  1.0 3.0
   38    33    39    40   0.61850  1.0 1.0
   38    33    39    40  -0.22750 -1.0 2.0
   38    33    39    40   0.15300  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    44    45   0.00000  1.0 1.0
   38    42    44    46   0.09850  1.0 1.0
   38    42    44    46   0.15250 -1.0 2.0
   38    42    44    46  -0.50650  1.0 3.0
   38    42   -44    48   0.39000  1.0 1.0
   38    42   -44    48  -0.05800 -1.0 2.0
   38    42   -44    48  -0.55150  1.0 3.0
   42    38   -50    48  -0.56150  1.0 1.0
   42    38   -50    48   2.19150 -1.0 2.0
   42    38    50    51   1.00000 -1.0 2.0
   42    44    46    47   0.15000  1.0 3.0
   42    44    46    49   0.31000  1.0 1.0
   42    44    46    49   0.14700 -1.0 2.0
   42    44    46    49   0.07550  1.0 3.0
   42    44    46    58   0.34400  1.0 1.0
   42    44    46    58   0.09450 -1.0 2.0
   42    44    46    58   0.11100  1.0 3.0
   42    44   -48    50  -0.82050  1.0 1.0
   42    44   -48    50   0.00600 -1.0 2.0
   42    44   -48    50   0.04400  1.0 3.0
   43    42    44    45   0.33100  1.0 3.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    48   0.00000  1.0 1.0
   44    46    49    52   0.09700  1.0 1.0
   44    46    49    52   0.15600 -1.0 2.0
   44    46    49    52  -0.50800  1.0 3.0
   44    46    49    54   0.09850  1.0 1.0
   44    46    49    54   0.15250 -1.0 2.0
   44    46    49    54  -0.50650  1.0 3.0
   44    46    58    57   0.62750  1.0 1.0
   44    46    58    57  -0.30950 -1.0 2.0
   44    46    58    57   0.27300  1.0 3.0
   44    46    58    59   0.15000  1.0 3.0
   44    46    58    60   0.56750  1.0 1.0
   44    46    58    60  -0.07550 -1.0 2.0
   44    46    58    60   0.20000  1.0 3.0
   44    48   -50    38   2.00000 -1.0 2.0
   44    48    50    51   3.00000 -1.0 2.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    46    58   0.15000  1.0 3.0
   45    44    48    50   0.08050  1.0 3.0
   46    44    48    50  -0.25900  1.0 1.0
   46    44    48    50  -0.47000 -1.0 2.0
   46    44    48    50   0.11750  1.0 3.0
   46    49    52    53  -0.64400  1.0 1.0
   46    49    52    53   0.26850 -1.0 2.0
   46    49   -52    57  -0.15000  1.0 1.0
   46    49   -52    57   0.89550 -1.0 2.0
   46    49   -52    57  -0.06900  1.0 3.0
   46    49    54    55   7.00000 -1.0 2.0
   46    49    54    56   7.00000 -1.0 2.0
   46    58    60    61   0.15000  1.0 3.0
   46    58    60    62   0.15000  1.0 3.0
   46    58    60    63   0.47050  1.0 1.0
   46    58    60    63   0.03900 -1.0 2.0
   46    58    60    63   0.20100  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   47    46    49    54   0.00000  1.0 1.0
   47    46    58    57   0.23400  1.0 3.0
   47    46    58    59   0.15000  1.0 3.0
   47    46    58    60   0.15000  1.0 3.0
   49    46   -58    57   0.61850  1.0 1.0
   49    46   -58    57  -0.22750 -1.0 2.0
   49    46   -58    57   0.15300  1.0 3.0
   49    46    58    59   0.15000  1.0 3.0
   49    46    58    60   0.34400  1.0 1.0
   49    46    58    60   0.09450 -1.0 2.0
   49    46    58    60   0.11100  1.0 3.0
   49    52   -57    58   2.00000 -1.0 2.0
   52    49    54    55   7.00000 -1.0 2.0
   52    49    54    56   7.00000 -1.0 2.0
   52    57   -58    46  -0.25900  1.0 1.0
   52    57   -58    46  -0.47000 -1.0 2.0
   52    57   -58    46   0.11750  1.0 3.0
   52    57    58    59   0.08050  1.0 3.0
   52    57    58    60  -0.25900  1.0 1.0
   52    57    58    60  -0.47000 -1.0 2.0
   52    57    58    60   0.11750  1.0 3.0
   53    52    57    58   3.00000 -1.0 2.0
   57    58    60    61   0.23400  1.0 3.0
   57    58    60    62   0.23400  1.0 3.0
   57    58    60    63  -0.26800  1.0 1.0
   57    58    60    63   0.69150 -1.0 2.0
   57    58    60    63  -0.48750  1.0 3.0
   58    46   -49    52   0.09700  1.0 1.0
   58    46   -49    52   0.15600 -1.0 2.0
   58    46   -49    52  -0.50800  1.0 3.0
   58    46    49    54   0.09850  1.0 1.0
   58    46    49    54   0.15250 -1.0 2.0
   58    46    49    54  -0.50650  1.0 3.0
   58    60    63    64   0.07850  1.0 1.0
   58    60    63    64  -0.03950 -1.0 2.0
   58    60    63    64   0.67350  1.0 3.0
   58    60    63    70   0.02550  1.0 1.0
   58    60    63    70  -0.02600 -1.0 2.0
   58    60    63    70   1.20400  1.0 3.0
   58    60    63    66   0.56750  1.0 1.0
   58    60    63    66  -0.07550 -1.0 2.0
   58    60    63    66   0.20000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   60    63    64    65   0.15000  1.0 3.0
   60    63    64    39   0.56750  1.0 1.0
   60    63    64    39  -0.07550 -1.0 2.0
   60    63    64    39   0.20000  1.0 3.0
   60    63   -64    70   0.02550  1.0 1.0
   60    63   -64    70  -0.02600 -1.0 2.0
   60    63   -64    70   1.20400  1.0 3.0
   60    63   -70    64   0.06250  1.0 1.0
   60    63   -70    64  -0.01100 -1.0 2.0
   60    63   -70    64   0.28050  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63    66    69   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    70   0.23400  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    70   0.23400  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    64    39    33   0.07850  1.0 1.0
   63    64    39    33  -0.03950 -1.0 2.0
   63    64    39    33   0.67350  1.0 3.0
   63    64    39    40  -0.26800  1.0 1.0
   63    64    39    40   0.69150 -1.0 2.0
   63    64    39    40  -0.48750  1.0 3.0
   63    64    39    41   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    64    39    33   0.15000  1.0 3.0
   65    64    39    40   0.23400  1.0 3.0
   65    64    39    41   0.15000  1.0 3.0
   65    64   -70    63   0.36800  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    50   0.09700  1.0 1.0
   39    33    38    50   0.15600 -1.0 2.0
   39    33    38    50  -0.50800  1.0 3.0
   39    64   -70    63   0.06250  1.0 1.0
   39    64   -70    63  -0.01100 -1.0 2.0
   39    64   -70    63   0.28050  1.0 3.0
   70    63   -64    65   0.23400  1.0 3.0
   70    63   -64    39   0.02550  1.0 1.0
   70    63   -64    39  -0.02600 -1.0 2.0
   70    63   -64    39   1.20400  1.0 3.0
   70    63    66    67   0.23400  1.0 3.0
   70    63    66    68   0.23400  1.0 3.0
   70    63    66    69   0.23400  1.0 3.0
   70    64    39    33   0.02550  1.0 1.0
   70    64    39    33  -0.02600 -1.0 2.0
   70    64    39    33   1.20400  1.0 3.0
   70    64    39    40   1.11900  1.0 1.0
   70    64    39    40  -1.16350 -1.0 2.0
   70    64    39    40  -0.34150  1.0 3.0
   70    64    39    41   0.23400  1.0 3.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    39   0.56750  1.0 1.0
   66    63    64    39  -0.07550 -1.0 2.0
   66    63    64    39   0.20000  1.0 3.0
   66    63   -64    70   0.02550  1.0 1.0
   66    63   -64    70  -0.02600 -1.0 2.0
   66    63   -64    70   1.20400  1.0 3.0
   66    63   -70    64   0.06250  1.0 1.0
   66    63   -70    64  -0.01100 -1.0 2.0
   66    63   -70    64   0.28050  1.0 3.0
   54    49    52    53   1.00000 -1.0 2.0
   54    49    52    57  -0.56150  1.0 1.0
   54    49    52    57   2.19150 -1.0 2.0
   48    44    46    47   0.23400  1.0 3.0
   48    44    46    49   0.61850  1.0 1.0
   48    44    46    49  -0.22750 -1.0 2.0
   48    44    46    49   0.15300  1.0 3.0
   48    44    46    58   0.62750  1.0 1.0
   48    44    46    58  -0.30950 -1.0 2.0
   48    44    46    58   0.27300  1.0 3.0
   50    38    42    43   7.00000 -1.0 2.0
   50    38   -42    44   7.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    50    38    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   46    52    49    54   1.10000 -1.0 2.0
   49    57    52    53  10.50000 -1.0 2.0
   55    56    54    49   1.10000 -1.0 2.0
   38    48    50    51  10.50000 -1.0 2.0
END
