* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    137    210     405
    1     0 S   NP   _N1_     1    28.75185    94.65894   -22.34186
    2     1 S   H    _HN1     2     1.02833    30.02990   159.31452
    3     1 S   H    _H1_     3     1.02786    97.16502   -87.11100
    4     1 S   H    _H2_     4     1.02948    84.77141    20.73988
    5     1 S   CT   _CA1     5     1.50133   139.18286   136.25336
    6     5 S   HC   _HA1     6     1.09578   105.19707    71.48622
    7     5 S   CO3  _C1_     7     1.53801   112.17267   -48.63373
    8     7 S   O2Z  _O11     8     1.26369   115.04619   -48.16572
    9     7 S   O2Z  _O12     9     1.26228   114.91589   130.71523
   10     5 S   CT   _CB1    10     1.53067   107.36582  -170.72676
   11    10 S   HC   HB11    11     1.09827   109.39694   -50.13946
   12    10 S   HC   HB12    12     1.09809   110.46745    66.44611
   13    10 S   CT   _CG1    13     1.52957   112.57888  -171.13109
   14    13 S   HC   HG11    14     1.09540   110.43441   -63.35300
   15    13 S   HC   HG12    15     1.09653   109.98033    55.79826
   16    13 S   C    _CD1    16     1.51831   112.24119   176.18176
   17    16 S   O    _OE1    17     1.22735   123.29814    -0.16071
   18    16 S   N    _N2_    18     1.38530   111.62027   179.91844
   19    18 S   H    _HN2    19     1.01676   118.93807     0.33920
   20    18 S   CT1  _CA2    20     1.46243   123.68906  -179.49024
   21    20 S   HC   _HA2    21     1.09736   109.35956    -1.86896
   22    20 S   C    _C2_    22     1.53414   108.76362  -117.49071
   23    22 S   O    _O2_    23     1.23059   122.30633  -148.95952
   24    20 S   CT   _CB2    32     1.53501   111.12458   120.03297
   25    24 S   HC   HB21    33     1.09192   109.16299    57.36501
   26    24 S   HC   HB22    34     1.09494   110.41350   175.71545
   27    22 S   N    _N3_    24     1.38362   113.62908    38.79309
   28    27 S   H    _HN3    25     1.01615   119.47558    -4.42744
   29    24 S   S    _SG2    35     1.82862   110.61189   -65.28746
   30    27 S   CT   _CA3    26     1.45280   123.12707   176.75050
   31    30 S   HC   HA31    27     1.09556   107.60551   -61.24010
   32    30 S   HC   HA32    28     1.09557   107.84441    55.13915
   33    29 S   CT   _C9_    36     1.87577   103.01745   154.37199
   34    30 S   CO3  _C3_    29     1.52935   114.17409   177.00709
   35    34 S   O2Z  _O31    30     1.26365   116.07821    -2.17583
   36    34 S   O2Z  _O32    31     1.26439   114.40913   177.86999
   37    33 S   CT   _C8_    37     1.58397   106.45584   168.62167
   38    37 S   HC   _H12    38     1.10140   107.26467   -68.53725
   39    37 S   HC   _H13    39     1.09851   109.42180   179.60634
   40    33 S   CT   _C10    60     1.61433   113.15802   -61.40817
   41    40 S   OM   _O35    61     1.32460   108.48028  -167.58085
   42    40 S   HC   _H3_    62     1.10013   103.33655    69.38495
   43    33 S   CT   _C18    70     1.56035   106.13846    56.79417
   44    43 S   HC   _H20    71     1.09529   112.29211   -69.80842
   45    43 S   HC   _H21    72     1.09650   110.97316   170.70663
   46    43 S   HC   _H22    73     1.09682   111.95791    51.57416
   47    37 S   CT   _C7_    40     1.54415   121.86746    52.09318
   48    47 S   HC   _H10    41     1.09175   109.69941   -60.33627
   49    47 S   HC   _H11    42     1.09803   107.42424  -174.42944
   50    47 S   CM   _C6_    43     1.49521   114.17498    67.17362
   51    50 S   HC   _H9_    44     1.08955   114.22681    47.21160
   52    50 S   CM   _C5_    45     1.34780   127.53084  -127.13890
   53    52 S   CT   _C14    46     1.51223   119.14900   168.12091
   54    53 S   HC   _H16    47     1.09793   110.37364    30.44284
   55    53 S   HC   _H17    48     1.09708   109.51231   146.08938
   56    52 S   CT   _C4_    66     1.50349   125.42889    -7.05385
   57    56 S   HC   _H6_    67     1.09398   110.50942   109.59505
   58    56 S   HC   _H7_    68     1.09204   113.34321   -11.77900
   59    56 S   HC   _H8_    69     1.09533   109.99797  -130.90002
   60    53 S   CT   _C13    49     1.54250   113.00313   -91.83760
   61    60 S   HC   _H14    50     1.09811   106.99297  -176.97767
   62    60 S   HC   _H15    51     1.09656   109.93941   -61.98929
   63    60 S   CT   _C12    52     1.54970   113.47602    62.20889
   64    63 S   HC   _H5_    53     1.09424   107.68940    42.02855
   65    63 S   CM   _C15    54     1.49120   110.84961   163.75052
   66    65 S   CO4  _C17    55     1.47108   109.31512    97.10953
   67    66 S   O    _O33    56     1.21737   127.26697  -169.65904
   68    65 S   CM   _C16    63     1.33552   128.25149   -85.22129
   69    68 S   HC   _H18    64     1.08482   120.64453     1.23606
   70    68 S   HC   _H19    65     1.08480   121.72296  -178.66940
   71    66 S   OS   _O34    57     1.35957   106.79928     8.91086
   72    63 S   CT   _C11    58     1.54786   112.98822   -84.31754
   73    72 S   HC   _H4_    59     1.08698   110.51370    19.41210
  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  13   5   4   3
  18   2   1   1  16   7   6  15   6   5   5   2   1   1   7   4
   3  10   3  11  13   6   5   4   2   1   1  10   5   4  10   6
   8   7   3   4   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    72    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    50    63    71    72    73    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    52    72    40    41    42    43    44    45    46  
   39    47    48    49    50    40    43  
   47    48    49    50    40    43  
   41    42    43    44    45    46    47    60    63    64    65    66    71    72    73  
   42    43    63    71    72    73  
   43    63    71    72    73  
   44    45    46    47    72  
   45    46  
   46  
    0  
   48    49    50    51    52    53    56  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    60    56    57    58    59  
   52    53    56  
   53    54    55    60    61    62    63    56    57    58    59  
   54    55    60    61    62    63    64    65    72    56    57    58    59  
   55    60    61    62    63    56  
   60    61    62    63    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    66    71    72    73    68  
   62    63    64    65    72  
   63    64    65    72  
   64    65    66    67    71    72    73    68    69    70  
   65    66    71    72    73    68  
   66    67    71    72    73    68    69    70  
   67    71    72    73    68    69    70  
   71    72    68  
   69    70    71    72  
   70  
    0  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.510
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   317.000  1.510
   52    56   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   317.000  1.510
   63    72   268.000  1.529
   65    66   320.000  1.462
   65    68   549.000  1.340
   66    67   570.000  1.229
   66    71   214.000  1.327
   71    72   320.000  1.410
   72    73   340.000  1.090
   72    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    72    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    70.00000  112.02700
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    50    51    35.00000  117.00000
   47    50    52    70.00000  124.00000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    52    53    70.00000  124.00000
   50    52    56    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    60    70.00000  112.02700
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    58.35000  112.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    70.00000  112.02700
   60    63    72    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    66    65.00000  116.34900
   63    65    68    70.00000  124.00000
   63    72    71    50.00000  109.50000
   63    72    73    37.50000  110.70000
   63    72    40    58.35000  112.70000
   65    63    64    35.00000  109.50000
   65    66    67    80.00000  123.72100
   65    66    71    90.00000  111.29400
   65    68    69    35.00000  120.00000
   65    68    70    35.00000  120.00000
   66    71    72    83.00000  116.90000
   71    66    67    83.00000  123.40000
   71    72    73    35.00000  109.50000
   71    72    40    50.00000  109.50000
   72    63    64    37.50000  110.70000
   72    63    65    70.00000  112.02700
   72    40    41    50.00000  109.50000
   72    40    42    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    72    73    37.50000  110.70000
   42    40    41    45.00000  125.66300
   68    65    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   56    52    53    65.00000  117.92700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    72   0.44750  1.0 1.0
   29    33    40    72  -0.17800 -1.0 2.0
   29    33    40    72   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.34400  1.0 1.0
   33    37    47    50   0.09450 -1.0 2.0
   33    37    47    50   0.11100  1.0 3.0
   37    33    40    72   0.56750  1.0 1.0
   37    33    40    72  -0.07550 -1.0 2.0
   37    33    40    72   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    50    51   0.00000  1.0 1.0
   37    47    50    52   0.09850  1.0 1.0
   37    47    50    52   0.15250 -1.0 2.0
   37    47    50    52  -0.50650  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    50   0.15000  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    50   0.15000  1.0 3.0
   47    50    52    53   7.00000 -1.0 2.0
   47    50    52    56   7.00000 -1.0 2.0
   48    47    50    51   0.33100  1.0 3.0
   48    47    50    52   0.00000  1.0 1.0
   49    47    50    51   0.33100  1.0 3.0
   49    47    50    52   0.00000  1.0 1.0
   50    52    53    54   0.00000  1.0 1.0
   50    52    53    55   0.00000  1.0 1.0
   50    52    53    60   0.09850  1.0 1.0
   50    52    53    60   0.15250 -1.0 2.0
   50    52    53    60  -0.50650  1.0 3.0
   50    52    56    57   0.00000  1.0 1.0
   50    52    56    58   0.00000  1.0 1.0
   50    52    56    59   0.00000  1.0 1.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    56   7.00000 -1.0 2.0
   52    53    60    61   0.15000  1.0 3.0
   52    53    60    62   0.15000  1.0 3.0
   52    53    60    63   0.34400  1.0 1.0
   52    53    60    63   0.09450 -1.0 2.0
   52    53    60    63   0.11100  1.0 3.0
   53    52    56    57   0.34800  1.0 3.0
   53    52    56    58   0.34800  1.0 3.0
   53    52    56    59   0.34800  1.0 3.0
   53    60    63    64   0.15000  1.0 3.0
   53    60    63    65   0.34400  1.0 1.0
   53    60    63    65   0.09450 -1.0 2.0
   53    60    63    65   0.11100  1.0 3.0
   53    60    63    72   0.56750  1.0 1.0
   53    60    63    72  -0.07550 -1.0 2.0
   53    60    63    72   0.20000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    63   0.15000  1.0 3.0
   60    63    65    66   0.09700  1.0 1.0
   60    63    65    66   0.15600 -1.0 2.0
   60    63    65    66  -0.50800  1.0 3.0
   60    63    65    68   0.09850  1.0 1.0
   60    63    65    68   0.15250 -1.0 2.0
   60    63    65    68  -0.50650  1.0 3.0
   60    63    72    71   0.62750  1.0 1.0
   60    63    72    71  -0.30950 -1.0 2.0
   60    63    72    71   0.27300  1.0 3.0
   60    63    72    73   0.15000  1.0 3.0
   60    63    72    40   0.56750  1.0 1.0
   60    63    72    40  -0.07550 -1.0 2.0
   60    63    72    40   0.20000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    72   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    72   0.15000  1.0 3.0
   63    65    66    67  -0.64400  1.0 1.0
   63    65    66    67   0.26850 -1.0 2.0
   63    65   -66    71  -0.15000  1.0 1.0
   63    65   -66    71   0.89550 -1.0 2.0
   63    65   -66    71  -0.06900  1.0 3.0
   63    65    68    69   7.00000 -1.0 2.0
   63    65    68    70   7.00000 -1.0 2.0
   63    72    40    33   0.56750  1.0 1.0
   63    72    40    33  -0.07550 -1.0 2.0
   63    72    40    33   0.20000  1.0 3.0
   63    72    40    41   0.62750  1.0 1.0
   63    72    40    41  -0.30950 -1.0 2.0
   63    72    40    41   0.27300  1.0 3.0
   63    72    40    42   0.15000  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    68   0.00000  1.0 1.0
   64    63    72    71   0.23400  1.0 3.0
   64    63    72    73   0.15000  1.0 3.0
   64    63    72    40   0.15000  1.0 3.0
   65    63   -72    71   0.61850  1.0 1.0
   65    63   -72    71  -0.22750 -1.0 2.0
   65    63   -72    71   0.15300  1.0 3.0
   65    63    72    73   0.15000  1.0 3.0
   65    63    72    40   0.34400  1.0 1.0
   65    63    72    40   0.09450 -1.0 2.0
   65    63    72    40   0.11100  1.0 3.0
   65    66   -71    72   2.00000 -1.0 2.0
   66    65    68    69   7.00000 -1.0 2.0
   66    65    68    70   7.00000 -1.0 2.0
   66    71   -72    63  -0.25900  1.0 1.0
   66    71   -72    63  -0.47000 -1.0 2.0
   66    71   -72    63   0.11750  1.0 3.0
   66    71    72    73   0.08050  1.0 3.0
   66    71    72    40  -0.25900  1.0 1.0
   66    71    72    40  -0.47000 -1.0 2.0
   66    71    72    40   0.11750  1.0 3.0
   67    66    71    72   3.00000 -1.0 2.0
   71    72    40    33   0.62750  1.0 1.0
   71    72    40    33  -0.30950 -1.0 2.0
   71    72    40    33   0.27300  1.0 3.0
   71    72    40    41   1.11900  1.0 1.0
   71    72    40    41  -1.16350 -1.0 2.0
   71    72    40    41  -0.34150  1.0 3.0
   71    72    40    42   0.23400  1.0 3.0
   72    63   -65    66   0.09700  1.0 1.0
   72    63   -65    66   0.15600 -1.0 2.0
   72    63   -65    66  -0.50800  1.0 3.0
   72    63    65    68   0.09850  1.0 1.0
   72    63    65    68   0.15250 -1.0 2.0
   72    63    65    68  -0.50650  1.0 3.0
   73    72    40    33   0.15000  1.0 3.0
   73    72    40    41   0.23400  1.0 3.0
   73    72    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   68    65    66    67   1.00000 -1.0 2.0
   68    65    66    71  -0.56150  1.0 1.0
   68    65    66    71   2.19150 -1.0 2.0
   56    52    53    54   0.34800  1.0 3.0
   56    52    53    55   0.34800  1.0 3.0
   56    52    53    60   0.46850  1.0 1.0
   56    52    53    60   0.08550 -1.0 2.0
   56    52    53    60   0.09800  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    72   0.56750  1.0 1.0
   43    33    40    72  -0.07550 -1.0 2.0
   43    33    40    72   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   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
   35    30    34    36  10.50000 -1.0 2.0
   47    51    50    52   1.10000 -1.0 2.0
   53    56    52    50   1.10000 -1.0 2.0
   63    66    65    68   1.10000 -1.0 2.0
   65    71    66    67  10.50000 -1.0 2.0
   69    70    68    65   1.10000 -1.0 2.0
END
