* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    139    212     411
    1     0 S   NP   _N1_     1    30.18083    88.09344   -24.35489
    2     1 S   H    _HN1     2     1.03107   129.03046     7.81525
    3     1 S   H    _H1_     3     1.02908    24.80544    38.86615
    4     1 S   H    _H2_     4     1.02766    88.13308  -104.38423
    5     1 S   CT   _CA1     5     1.50571   105.85494   142.91505
    6     5 S   HC   _HA1     6     1.09682   104.97880    33.82054
    7     5 S   CO3  _C1_     7     1.54416   110.28121   -82.56334
    8     7 S   O2Z  _O11     8     1.26105   116.48041  -105.38164
    9     7 S   O2Z  _O12     9     1.26491   113.94162    72.78306
   10     5 S   CT   _CB1    10     1.53084   106.79223   149.44939
   11    10 S   HC   HB11    11     1.09855   109.59140   -51.34643
   12    10 S   HC   HB12    12     1.09549   109.77892    64.28810
   13    10 S   CT   _CG1    13     1.53259   113.34203  -172.35889
   14    13 S   HC   HG11    14     1.09461   110.95043   -49.31740
   15    13 S   HC   HG12    15     1.09592   110.13054    69.65047
   16    13 S   C    _CD1    16     1.51982   111.43948  -170.46638
   17    16 S   O    _OE1    17     1.22862   122.76350   -23.14062
   18    16 S   N    _N2_    18     1.38636   112.46945   157.49844
   19    18 S   H    _HN2    19     1.01540   119.40602     5.52939
   20    18 S   CT1  _CA2    20     1.45739   122.57645  -178.74430
   21    20 S   HC   _HA2    21     1.09599   108.72065    22.53689
   22    20 S   C    _C2_    22     1.52962   107.27607   -93.94407
   23    22 S   O    _O2_    23     1.22950   122.90731   -26.80588
   24    20 S   CT   _CB2    32     1.53498   113.07973   145.62473
   25    24 S   HC   HB21    33     1.09669   109.64139    69.11269
   26    24 S   HC   HB22    34     1.09589   110.34421  -174.23476
   27    22 S   N    _N3_    24     1.38622   112.40854   155.99101
   28    27 S   H    _HN3    25     1.01489   119.76252     1.00561
   29    24 S   S    _SG2    35     1.83052   115.93644   -50.94164
   30    27 S   CT   _CA3    26     1.45451   122.81939   175.58811
   31    30 S   HC   HA31    27     1.09540   108.94500    30.44774
   32    30 S   HC   HA32    28     1.09480   107.18208   147.56421
   33    29 S   CT   _C18    36     1.82633   100.62244   -57.09822
   34    33 S   HC   _H3_    37     1.09485   108.24721   -62.26163
   35    33 S   HC   _H4_    38     1.09192   107.99515    54.13331
   36    30 S   CO3  _C3_    29     1.53041   113.54907   -92.59576
   37    36 S   O2Z  _O31    30     1.26376   115.76764   -32.68077
   38    36 S   O2Z  _O32    31     1.26403   114.72229   148.20629
   39    33 S   CT   _C13    39     1.53773   110.54930   174.81344
   40    39 S   HC   _H30    40     1.09756   113.47024   -12.00029
   41    39 S   CO4  _C8_    41     1.50675   111.52803   108.88177
   42    41 S   O    _O16    42     1.22152   125.91171   -44.19155
   43    41 S   OS   _O17    43     1.36340   110.09491   137.10603
   44    43 S   CT   _C15    44     1.44389   110.79614     3.63696
   45    44 S   HC   _H32    45     1.09634   106.12286    94.56095
   46    44 S   CT   _C10    46     1.54586   106.58445  -147.62086
   47    46 S   HC   _H25    47     1.09822   108.77049    68.13389
   48    46 S   HC   _H26    48     1.09876   108.94043   -45.00860
   49    39 S   CT   _C14    63     1.53925   112.27271  -137.05072
   50    49 S   HC   _H31    64     1.10012   107.49930   -34.56593
   51    46 S   CM   _C6_    49     1.51454   114.92577  -166.41760
   52    51 S   CM   _C4_    50     1.35006   120.03472  -113.37883
   53    52 S   HC   _H21    51     1.08959   118.44217    -5.21921
   54    51 S   CT   _C16    72     1.50498   115.29670    63.09335
   55    54 S   HC   _H33    73     1.09374   110.91128   -72.53666
   56    54 S   HC   _H34    74     1.09238   113.07254   165.81730
   57    54 S   HC   _H35    75     1.09555   109.97042    47.18513
   58    52 S   CT   _C9_    52     1.51225   126.29166   161.67491
   59    58 S   HC   _H23    53     1.09367   112.10463    25.74328
   60    58 S   HC   _H24    54     1.09618   108.93343   142.90370
   61    58 S   CT   _C11    55     1.55119   110.78478   -96.70991
   62    61 S   HC   _H27    56     1.09838   109.17512   -71.13952
   63    61 S   HC   _H28    57     1.09611   109.74403   173.38177
   64    61 S   CM   _C7_    58     1.52382   111.33086    50.49024
   65    64 S   CM   _C5_    59     1.34900   117.82175   -84.99627
   66    65 S   HC   _H22    60     1.09064   117.20476   -11.19348
   67    64 S   CT   _C17    67     1.50047   116.50198    88.15686
   68    67 S   HC   _H36    68     1.09428   110.76739   -51.89277
   69    67 S   HC   _H37    69     1.09232   112.84127  -173.49407
   70    65 S   CT   _C12    61     1.49973   128.46110   159.74355
   71    70 S   HC   _H29    62     1.09433   112.48264   -10.97176
   72    67 S   OH   _O19    70     1.42482   108.52279    67.28057
   73    72 S   HO   _H41    71     0.97301   106.64209   175.66442
   74    70 S   OH   _O18    65     1.42068   107.20141   107.08539
   75    74 S   HO   _H40    66     0.97662   107.29500   -75.15875
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  13   5   4
   9   4  10  12   5   4   2   1   1   8   5   4  10   4   3  10
   9   4   5   3   2   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    70    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    70    71    49    50    74  
   41    42    43    44    70    49    50  
   42    43    44    45    46    70    49    50  
   43    44    49  
   44    45    46    47    48    51    70    49    50  
   45    46    47    48    51    52    65    70    71    49    50    74    54  
   46    47    48    51    70    49    50  
   47    48    51    52    53    58    70    49    50    54    55    56    57  
   48    51    52    49    54  
   51    52    49    54  
   50    74    75    51    64    65    66    70    71  
   74    65    70    71  
   52    53    58    59    60    61    54    55    56    57  
   53    58    59    60    61    62    63    64    54    55    56    57  
   58    59    60    61    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    67  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64    65    66    70    67    68    69    72  
   63    64    65    67  
   64    65    67  
   65    66    70    71    74    67    68    69    72    73  
   66    70    71    74    75    67    68    69    72  
   70    71    74    67  
   68    69    72    73    70  
   69    72    73  
   72    73  
   71    74    75  
   74    75  
   73  
    0  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   549.000  1.340
   51    54   317.000  1.510
   52    53   340.000  1.080
   52    58   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   317.000  1.510
   64    65   549.000  1.340
   64    67   317.000  1.510
   65    66   340.000  1.080
   65    70   317.000  1.510
   70    71   340.000  1.090
   70    49   268.000  1.529
   70    74   320.000  1.410
   49    50   340.000  1.090
   74    75   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   320.000  1.410
   72    73   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    70    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    70.00000  112.02700
   44    49    70    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    70.00000  124.00000
   46    51    54    65.00000  117.92700
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    58    70.00000  124.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    70.00000  112.02700
   58    52    53    35.00000  117.00000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    70.00000  124.00000
   61    64    67    65.00000  117.92700
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    65    66    35.00000  120.00000
   64    65    70    70.00000  124.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    72    90.00000  110.39200
   65    70    71    35.00000  109.50000
   65    70    49    70.00000  112.02700
   65    70    74    90.00000  110.39200
   70    65    66    35.00000  117.00000
   70    49    50    37.50000  110.70000
   70    74    75    55.00000  108.50000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    70    71    37.50000  110.70000
   74    70    71    35.00000  109.50000
   74    70    49    50.00000  109.50000
   67    64    65    70.00000  124.00000
   67    72    73    55.00000  108.50000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   54    51    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    70   0.56750  1.0 1.0
   33    39    49    70  -0.07550 -1.0 2.0
   33    39    49    70   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    70   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    70  -0.95700  1.0 1.0
   41    39    49    70  -0.18200 -1.0 2.0
   41    39    49    70   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.61850  1.0 1.0
   43    44    46    51  -0.22750 -1.0 2.0
   43    44    46    51   0.15300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    70   0.62750  1.0 1.0
   43    44    49    70  -0.30950 -1.0 2.0
   43    44    49    70   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.09850  1.0 1.0
   44    46    51    52   0.15250 -1.0 2.0
   44    46    51    52  -0.50650  1.0 3.0
   44    46    51    54   0.46850  1.0 1.0
   44    46    51    54   0.08550 -1.0 2.0
   44    46    51    54   0.09800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    70   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    70   0.56750  1.0 1.0
   46    44    49    70  -0.07550 -1.0 2.0
   46    44    49    70   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    53   7.00000 -1.0 2.0
   46    51    52    58   7.00000 -1.0 2.0
   46    51    54    55   0.34800  1.0 3.0
   46    51    54    56   0.34800  1.0 3.0
   46    51    54    57   0.34800  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    54   0.34800  1.0 3.0
   48    46    51    52   0.00000  1.0 1.0
   48    46    51    54   0.34800  1.0 3.0
   51    52    58    59   0.00000  1.0 1.0
   51    52    58    60   0.00000  1.0 1.0
   51    52    58    61   0.09850  1.0 1.0
   51    52    58    61   0.15250 -1.0 2.0
   51    52    58    61  -0.50650  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    58    61    62   0.15000  1.0 3.0
   52    58    61    63   0.15000  1.0 3.0
   52    58    61    64   0.31000  1.0 1.0
   52    58    61    64   0.14700 -1.0 2.0
   52    58    61    64   0.07550  1.0 3.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    60   0.33100  1.0 3.0
   53    52    58    61   0.00000  1.0 1.0
   58    61    64    65   0.09850  1.0 1.0
   58    61    64    65   0.15250 -1.0 2.0
   58    61    64    65  -0.50650  1.0 3.0
   58    61    64    67   0.46850  1.0 1.0
   58    61    64    67   0.08550 -1.0 2.0
   58    61    64    67   0.09800  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    64    65    66   7.00000 -1.0 2.0
   61    64    65    70   7.00000 -1.0 2.0
   61    64    67    68   0.34800  1.0 3.0
   61    64    67    69   0.34800  1.0 3.0
   61    64    67    72   0.18000  1.0 1.0
   61    64    67    72   0.16450 -1.0 2.0
   61    64    67    72   0.04450  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    67   0.34800  1.0 3.0
   63    61    64    65   0.00000  1.0 1.0
   63    61    64    67   0.34800  1.0 3.0
   64    65    70    71   0.00000  1.0 1.0
   64    65    70    49   0.09850  1.0 1.0
   64    65    70    49   0.15250 -1.0 2.0
   64    65    70    49  -0.50650  1.0 3.0
   64    65    70    74   0.67800  1.0 1.0
   64    65    70    74   0.47050 -1.0 2.0
   64    65    70    74  -0.62500  1.0 3.0
   64    67    72    73  -0.07800  1.0 1.0
   64    67    72    73  -0.21500 -1.0 2.0
   64    67    72    73  -0.03150  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    72   0.67800  1.0 1.0
   65    64    67    72   0.47050 -1.0 2.0
   65    64    67    72  -0.62500  1.0 3.0
   65    70    49    39   0.34400  1.0 1.0
   65    70    49    39   0.09450 -1.0 2.0
   65    70    49    39   0.11100  1.0 3.0
   65    70    49    44   0.34400  1.0 1.0
   65    70    49    44   0.09450 -1.0 2.0
   65    70    49    44   0.11100  1.0 3.0
   65    70    49    50   0.15000  1.0 3.0
   65    70    74    75  -0.07800  1.0 1.0
   65    70    74    75  -0.21500 -1.0 2.0
   65    70    74    75  -0.03150  1.0 3.0
   66    65    70    71   0.33100  1.0 3.0
   66    65    70    49   0.00000  1.0 1.0
   66    65    70    74   0.00000  1.0 1.0
   71    70    49    39   0.15000  1.0 3.0
   71    70    49    44   0.15000  1.0 3.0
   71    70    49    50   0.15000  1.0 3.0
   71    70    74    75   0.19450  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.34400  1.0 1.0
   49    44    46    51   0.09450 -1.0 2.0
   49    44    46    51   0.11100  1.0 3.0
   49    70    74    75  -0.11600  1.0 1.0
   49    70    74    75  -0.09450 -1.0 2.0
   49    70    74    75   0.21250  1.0 3.0
   74    70    49    39   0.86500  1.0 1.0
   74    70    49    39  -0.17500 -1.0 2.0
   74    70    49    39   0.20800  1.0 3.0
   74    70    49    44   0.86500  1.0 1.0
   74    70    49    44  -0.17500 -1.0 2.0
   74    70    49    44   0.20800  1.0 3.0
   74    70    49    50   0.23400  1.0 3.0
   67    64    65    66   7.00000 -1.0 2.0
   67    64    65    70   7.00000 -1.0 2.0
   68    67    72    73   0.19450  1.0 3.0
   69    67    72    73   0.19450  1.0 3.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    58   7.00000 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    54    51    52   1.10000 -1.0 2.0
   58    53    52    51   1.10000 -1.0 2.0
   61    67    64    65   1.10000 -1.0 2.0
   70    66    65    64   1.10000 -1.0 2.0
END
