* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    137    206     400
    1     0 S   NP   _N1_     1    28.76739    97.66457   -23.16955
    2     1 S   H    _HN1     2     1.02948    65.98996     6.76854
    3     1 S   H    _H1_     3     1.02828    44.83805   161.46458
    4     1 S   H    _H2_     4     1.02790   104.20267   -97.30040
    5     1 S   CT   _CA1     5     1.50118   142.02195    99.63192
    6     5 S   HC   _HA1     6     1.09572   105.18324   100.90941
    7     5 S   CO3  _C1_     7     1.53787   112.45717   -19.32616
    8     7 S   O2Z  _O11     8     1.26376   115.00537   -42.62858
    9     7 S   O2Z  _O12     9     1.26237   114.94958   136.44494
   10     5 S   CT   _CB1    10     1.53069   107.41245  -141.10117
   11    10 S   HC   HB11    11     1.09836   109.38199   -49.39991
   12    10 S   HC   HB12    12     1.09811   110.45397    67.21509
   13    10 S   CT   _CG1    13     1.52994   112.60180  -170.34510
   14    13 S   HC   HG11    14     1.09579   110.67141   -65.95957
   15    13 S   HC   HG12    15     1.09670   109.75322    53.27671
   16    13 S   C    _CD1    16     1.51800   112.14591   173.76395
   17    16 S   O    _OE1    17     1.22741   123.24156     8.85823
   18    16 S   N    _N2_    18     1.38621   111.70431  -171.19319
   19    18 S   H    _HN2    19     1.01571   119.01215     1.50402
   20    18 S   CT1  _CA2    20     1.46277   123.48976   177.88835
   21    20 S   HC   _HA2    21     1.09736   109.30045     6.52492
   22    20 S   C    _C2_    22     1.53654   108.84308  -109.03735
   23    22 S   O    _O2_    23     1.23075   122.30521  -149.12900
   24    20 S   CT   _CB2    32     1.53439   111.40304   128.49269
   25    24 S   HC   HB21    33     1.09431   109.39273    57.37413
   26    24 S   HC   HB22    34     1.09499   109.82414   176.03647
   27    22 S   N    _N3_    24     1.38339   113.84153    38.39657
   28    27 S   H    _HN3    25     1.01549   119.58688    -3.24009
   29    24 S   S    _SG2    35     1.83624   110.84205   -64.53219
   30    27 S   CT   _CA3    26     1.45274   123.24009   177.18117
   31    30 S   HC   HA31    27     1.09548   107.51013   -64.83770
   32    30 S   HC   HA32    28     1.09557   107.99466    51.60974
   33    29 S   CT   _C13    36     1.91075   102.48875   168.07162
   34    33 S   OM   _O33    37     1.31667   107.68626    48.23488
   35    30 S   CO3  _C3_    29     1.52962   114.07223   173.62206
   36    35 S   O2Z  _O31    30     1.26379   116.08799    -0.21489
   37    35 S   O2Z  _O32    31     1.26428   114.41101   179.84174
   38    33 S   NT   _N4_    38     1.50520   111.19887   171.87080
   39    33 S   S    _S1_    54     1.91160   105.42195   -68.01991
   40    38 S   CT   _C14    39     1.47947   114.63150    56.81063
   41    40 S   HC   _H14    40     1.09405   111.43009    52.64797
   42    40 S   HC   _H15    41     1.09659   111.18337   -66.69141
   43    39 S   CT   _C5_    55     1.86929   106.90299   161.43789
   44    40 S   CT   _C15    42     1.53166   112.35292   172.10216
   45    44 S   HC   _H16    43     1.09528   109.85061   -66.04825
   46    44 S   HC   _H17    44     1.09613   109.56087   177.05995
   47    43 S   CA   _C7_    56     1.53302   113.66976    47.09915
   48    43 S   CT   _C4_    67     1.55427   104.54654   165.91144
   49    48 S   HC   _H3_    68     1.09758   111.78981    63.07389
   50    48 S   HC   _H4_    69     1.09598   113.21093   -57.70591
   51    48 S   HC   _H5_    70     1.09754   110.68389  -177.79185
   52    43 S   CT   _C6_    71     1.54712   108.70835   -82.54834
   53    52 S   HC   _H6_    72     1.09726   111.66126   -53.57098
   54    52 S   HC   _H7_    73     1.09760   110.61044  -172.29584
   55    52 S   HC   _H8_    74     1.09223   113.87143    67.78196
   56    44 S   CT   _C16    45     1.52022   111.53378    55.58910
   57    56 S   HC   _H18    46     1.09682   109.64175    68.23720
   58    56 S   HC   _H19    47     1.09543   110.16358  -174.08441
   59    47 S   CA   _C8_    57     1.40878   120.89321    66.40713
   60    59 S   HA   _H9_    58     1.08706   120.67351    -2.33028
   61    56 S   CT   _C17    48     1.52011   110.01375   -52.41318
   62    61 S   HC   _H20    49     1.09600   109.60794   174.70087
   63    61 S   HC   _H21    50     1.09720   109.61926   -68.29806
   64    59 S   CA   _C9_    59     1.39832   121.54686   178.44959
   65    64 S   HA   _H10    60     1.08619   119.81824   179.90721
   66    38 S   CT   _C18    51     1.48028   114.48409   -71.40407
   67    66 S   HC   _H22    52     1.09719   110.95271    66.29195
   68    66 S   HC   _H23    53     1.09592   111.24353   -53.01021
   69    64 S   CA   _C10    61     1.38962   120.16061     0.58617
   70    69 S   HA   _H11    62     1.08559   120.23188   179.53103
   71    69 S   CA   _C11    63     1.38999   119.54340    -0.09691
   72    71 S   HA   _H12    64     1.08630   119.98472   179.63846
   73    47 S   CA   _C12    65     1.40651   122.08257  -114.57043
   74    73 S   HA   _H13    66     1.08607   121.25085     1.52226
  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
  15   5   2   1   1  15  14  12   6   5  15   9   5   4  17   9
   3   2   1   5   2   1   1   8   5   4   8   4   5   4   3   6
   3   2   1   1   5   3   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    40    66    39    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    42    44    61    66    67    68    39    43    47    48    52  
   38    40    66    39    43  
   36    37  
   37  
    0  
   40    41    42    44    45    46    56    61    62    63    66    67    68    39    43  
   43    47    59    73    48    49    50    51    52    53    54    55    40    66  
   41    42    44    45    46    56    57    58    61    66    67    68  
   42    44    45    46    56    66  
   44    45    46    56    66  
   47    59    60    64    71    73    74    48    49    50    51    52    53    54    55  
   45    46    56    57    58    61    62    63    66  
   46    56    57    58    61  
   56    57    58    61  
   59    60    64    65    69    71    72    73    74    48    49    50    51    52    53    54    55  
   49    50    51    52    53    54    55    59    73  
   50    51    52  
   51    52  
   52  
   53    54    55    59    73  
   54    55  
   55  
    0  
   57    58    61    62    63    66    67    68  
   58    61    62    63    66  
   61    62    63    66  
   60    64    65    69    70    71    73    74  
   64    65    69    73  
   62    63    66    67    68  
   63    66    67    68  
   66    67    68  
   65    69    70    71    72    73  
   69    70    71  
   67    68  
   68  
    0  
   70    71    72    73    74  
   71    72    73  
   72    73    74  
   73    74  
   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  -0.175000   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   4.2000   0.3000   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   39   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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   570.000  1.307
   33    38   382.000  1.448
   33    39   222.000  1.810
   38    40   382.000  1.448
   38    66   382.000  1.448
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   39    43   222.000  1.810
   43    47   317.000  1.510
   43    48   268.000  1.529
   43    52   268.000  1.529
   47    59   469.000  1.400
   47    73   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    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    85.00000  114.68000
   29    33    38    85.00000  109.00000
   29    33    39    75.00000  118.28000
   33    38    40    51.80000  107.20000
   33    38    66    51.80000  107.20000
   33    39    43    62.00000   98.90000
   38    33    34   110.00000  105.70000
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    44    56.20000  109.47000
   38    66    61    56.20000  109.47000
   38    66    67    35.00000  109.50000
   38    66    68    35.00000  109.50000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    56    58.35000  112.70000
   42    40    41    33.00000  107.80000
   44    40    41    37.50000  110.70000
   44    40    42    37.50000  110.70000
   44    56    57    37.50000  110.70000
   44    56    58    37.50000  110.70000
   44    56    61    58.35000  112.70000
   46    44    45    33.00000  107.80000
   56    44    45    37.50000  110.70000
   56    44    46    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    66    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   63    61    62    33.00000  107.80000
   66    38    40    51.80000  107.20000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   68    66    67    33.00000  107.80000
   39    33    34    85.00000  114.68000
   39    33    38    85.00000  109.00000
   39    43    47    80.00000  109.48900
   39    43    48    75.00000  111.63000
   39    43    52    75.00000  111.63000
   43    47    59    70.00000  120.00000
   43    47    73    70.00000  120.00000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   43    52    53    37.50000  110.70000
   43    52    54    37.50000  110.70000
   43    52    55    37.50000  110.70000
   47    59    60    35.00000  120.00000
   47    59    64    63.00000  120.00000
   47    73    71    63.00000  120.00000
   47    73    74    35.00000  120.00000
   59    64    65    35.00000  120.00000
   59    64    69    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    69    70    35.00000  120.00000
   64    69    71    63.00000  120.00000
   69    64    65    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   73    47    59    63.00000  120.00000
   73    71    72    35.00000  120.00000
   48    43    47    70.00000  112.17500
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    43    47    70.00000  112.17500
   52    43    48    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  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    40   0.23200  1.0 1.0
   29    33    38    40   0.02100 -1.0 2.0
   29    33    38    40   0.24950  1.0 3.0
   29    33    38    66   0.23200  1.0 1.0
   29    33    38    66   0.02100 -1.0 2.0
   29    33    38    66   0.24950  1.0 3.0
   29    33    39    43   0.08500  1.0 1.0
   29    33    39    43  -0.53150 -1.0 2.0
   29    33    39    43   0.48050  1.0 3.0
   33    38    40    41   0.28000  1.0 3.0
   33    38    40    42   0.28000  1.0 3.0
   33    38    40    44   0.58650  1.0 1.0
   33    38    40    44   0.12600 -1.0 2.0
   33    38    40    44   0.33350  1.0 3.0
   33    38    66    61   0.58650  1.0 1.0
   33    38    66    61   0.12600 -1.0 2.0
   33    38    66    61   0.33350  1.0 3.0
   33    38    66    67   0.28000  1.0 3.0
   33    38    66    68   0.28000  1.0 3.0
   33    39    43    47  -0.23050  1.0 1.0
   33    39    43    47   0.06200 -1.0 2.0
   33    39    43    47   0.47200  1.0 3.0
   33    39    43    48   0.01700  1.0 1.0
   33    39    43    48  -0.23550 -1.0 2.0
   33    39    43    48   0.21350  1.0 3.0
   33    39    43    52   0.01700  1.0 1.0
   33    39    43    52  -0.23550 -1.0 2.0
   33    39    43    52   0.21350  1.0 3.0
   34    33    38    40   0.23200  1.0 1.0
   34    33    38    40   0.02100 -1.0 2.0
   34    33    38    40   0.24950  1.0 3.0
   34    33    38    66   0.23200  1.0 1.0
   34    33    38    66   0.02100 -1.0 2.0
   34    33    38    66   0.24950  1.0 3.0
   34    33    39    43   0.13850  1.0 1.0
   34    33    39    43  -1.34450 -1.0 2.0
   34    33    39    43   0.57400  1.0 3.0
   38    33    39    43   0.01700  1.0 1.0
   38    33    39    43  -0.23550 -1.0 2.0
   38    33    39    43   0.21350  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    56   1.53400  1.0 1.0
   38    40    44    56  -0.09950 -1.0 2.0
   38    40    44    56   0.05700  1.0 3.0
   40    38    66    61   0.23450  1.0 1.0
   40    38    66    61   0.02050 -1.0 2.0
   40    38    66    61   0.25250  1.0 3.0
   40    38    66    67   0.28000  1.0 3.0
   40    38    66    68   0.28000  1.0 3.0
   40    44    56    57   0.15000  1.0 3.0
   40    44    56    58   0.15000  1.0 3.0
   40    44   -56    61   0.56750  1.0 1.0
   40    44   -56    61  -0.07550 -1.0 2.0
   40    44   -56    61   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    56   0.15000  1.0 3.0
   42    40    44    45   0.15000  1.0 3.0
   42    40    44    46   0.15000  1.0 3.0
   42    40    44    56   0.15000  1.0 3.0
   44    56    61    62   0.15000  1.0 3.0
   44    56    61    63   0.15000  1.0 3.0
   44    56    61    66   0.56750  1.0 1.0
   44    56    61    66  -0.07550 -1.0 2.0
   44    56    61    66   0.20000  1.0 3.0
   45    44    56    57   0.15000  1.0 3.0
   45    44    56    58   0.15000  1.0 3.0
   45    44    56    61   0.15000  1.0 3.0
   46    44    56    57   0.15000  1.0 3.0
   46    44    56    58   0.15000  1.0 3.0
   46    44    56    61   0.15000  1.0 3.0
   56    61   -66    38   1.53400  1.0 1.0
   56    61   -66    38  -0.09950 -1.0 2.0
   56    61   -66    38   0.05700  1.0 3.0
   56    61    66    67   0.15000  1.0 3.0
   56    61    66    68   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    66   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    66   0.15000  1.0 3.0
   62    61    66    38   0.15000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   63    61    66    38   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   66    38    40    41   0.28000  1.0 3.0
   66    38    40    42   0.28000  1.0 3.0
   66    38   -40    44   0.23450  1.0 1.0
   66    38   -40    44   0.02050 -1.0 2.0
   66    38   -40    44   0.25250  1.0 3.0
   39    33    38    40   0.23200  1.0 1.0
   39    33    38    40   0.02100 -1.0 2.0
   39    33    38    40   0.24950  1.0 3.0
   39    33    38    66   0.23200  1.0 1.0
   39    33    38    66   0.02100 -1.0 2.0
   39    33    38    66   0.24950  1.0 3.0
   39    43    47    59  -0.16000  1.0 1.0
   39    43    47    59  -0.03200 -1.0 2.0
   39    43    47    59   0.04500  1.0 3.0
   39    43    47    73  -0.16000  1.0 1.0
   39    43    47    73  -0.03200 -1.0 2.0
   39    43    47    73   0.04500  1.0 3.0
   39    43    48    49   0.15000  1.0 3.0
   39    43    48    50   0.15000  1.0 3.0
   39    43    48    51   0.15000  1.0 3.0
   39    43    52    53   0.15000  1.0 3.0
   39    43    52    54   0.15000  1.0 3.0
   39    43    52    55   0.15000  1.0 3.0
   43    47    59    60   3.62500 -1.0 2.0
   43    47    59    64   3.62500 -1.0 2.0
   43    47    73    71   3.62500 -1.0 2.0
   43    47    73    74   3.62500 -1.0 2.0
   47    43    48    49   0.43200  1.0 3.0
   47    43    48    50   0.43200  1.0 3.0
   47    43    48    51   0.43200  1.0 3.0
   47    43    52    53   0.43200  1.0 3.0
   47    43    52    54   0.43200  1.0 3.0
   47    43    52    55   0.43200  1.0 3.0
   47    59    64    65   3.62500 -1.0 2.0
   47    59    64    69   3.62500 -1.0 2.0
   59    47    73    71   3.62500 -1.0 2.0
   59    47    73    74   3.62500 -1.0 2.0
   59    64    69    70   3.62500 -1.0 2.0
   59    64   -69    71   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    69   3.62500 -1.0 2.0
   64    69    71    72   3.62500 -1.0 2.0
   64    69    71    73   3.62500 -1.0 2.0
   65    64    69    70   3.62500 -1.0 2.0
   65    64    69    71   3.62500 -1.0 2.0
   69    71   -73    47   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   72    71    73    47   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   73    47    59    60   3.62500 -1.0 2.0
   73    47   -59    64   3.62500 -1.0 2.0
   48    43    47    59   0.04150 -1.0 2.0
   48    43    47    73   0.04150 -1.0 2.0
   48    43    52    53   0.15000  1.0 3.0
   48    43    52    54   0.15000  1.0 3.0
   48    43    52    55   0.15000  1.0 3.0
   52    43    47    59   0.04150 -1.0 2.0
   52    43    47    73   0.04150 -1.0 2.0
   52    43    48    49   0.15000  1.0 3.0
   52    43    48    50   0.15000  1.0 3.0
   52    43    48    51   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   59    73    47    43   4.00000 -1.0 2.0
   64    60    59    47   1.10000 -1.0 2.0
   69    65    64    59   1.10000 -1.0 2.0
   71    70    69    64   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   71    74    73    47   1.10000 -1.0 2.0
END
