* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    142    222     417
    1     0 S   NP   _N1_     1    28.11107    95.24017   -23.91225
    2     1 S   H    _HN1     2     1.02777   108.13740  -108.45446
    3     1 S   H    _H1_     3     1.02957    83.83015    -1.13832
    4     1 S   H    _H2_     4     1.02835    24.87356   157.98611
    5     1 S   CT   _CA1     5     1.50146   129.17906   110.20186
    6     5 S   HC   _HA1     6     1.09577   105.18452    78.64775
    7     5 S   CO3  _C1_     7     1.53767   112.34715   -41.47911
    8     7 S   O2Z  _O11     8     1.26367   114.98696   -43.83604
    9     7 S   O2Z  _O12     9     1.26232   114.92527   135.13125
   10     5 S   CT   _CB1    10     1.53085   107.40553  -163.48861
   11    10 S   HC   HB11    11     1.09830   109.26060   -50.47939
   12    10 S   HC   HB12    12     1.09814   110.45983    66.05529
   13    10 S   CT   _CG1    13     1.53034   112.71231  -171.54325
   14    13 S   HC   HG11    14     1.09591   110.52381   -65.80358
   15    13 S   HC   HG12    15     1.09661   109.88124    53.40831
   16    13 S   C    _CD1    16     1.51857   112.25119   173.72636
   17    16 S   O    _OE1    17     1.22766   123.26346     2.63441
   18    16 S   N    _N2_    18     1.38570   111.78251  -177.28156
   19    18 S   H    _HN2    19     1.01557   119.07437     3.68148
   20    18 S   CT1  _CA2    20     1.45818   122.77593   177.30848
   21    20 S   HC   _HA2    21     1.09744   108.87727    25.92723
   22    20 S   C    _C2_    22     1.52999   107.07607   -90.98851
   23    22 S   O    _O2_    23     1.22972   123.10869   -26.20363
   24    20 S   CT   _CB2    32     1.53393   112.33204   149.20428
   25    24 S   HC   HB21    33     1.09360   109.66536    53.97579
   26    24 S   HC   HB22    34     1.09366   109.29515   172.72037
   27    22 S   N    _N3_    24     1.38516   112.50373   156.52883
   28    27 S   H    _HN3    25     1.01655   120.32023    -2.28807
   29    24 S   S    _SG2    35     1.82650   110.70194   -67.59571
   30    27 S   CT   _CA3    26     1.45349   122.54198   178.48148
   31    30 S   HC   HA31    27     1.09567   107.87402   -54.46760
   32    30 S   HC   HA32    28     1.09562   107.56131    61.88579
   33    29 S   CT   _C5_    36     1.89506   102.90350   174.20502
   34    30 S   CO3  _C3_    29     1.52902   114.28303  -176.39576
   35    34 S   O2Z  _O31    30     1.26342   116.05289     0.40734
   36    34 S   O2Z  _O32    31     1.26434   114.41553  -179.64173
   37    33 S   CT   _C6_    37     1.56839   109.70242    52.05636
   38    37 S   HC   _H9_    38     1.09800   108.49647   -64.46507
   39    37 S   HC   _H10    39     1.09523   109.87257  -176.30339
   40    33 S   CT   _C17    55     1.59866   108.42587   172.95480
   41    40 S   OM   _O34    56     1.32844   110.88792    60.23835
   42    40 S   HC   _H5_    57     1.09521   104.24825   -66.47123
   43    33 S   CT   _C4_    70     1.54915   107.92167   -65.54014
   44    43 S   HC   _H6_    71     1.09572   112.35065   -54.11151
   45    43 S   HC   _H7_    72     1.09523   111.29699  -174.52607
   46    43 S   HC   _H8_    73     1.09469   112.05115    67.02353
   47    37 S   CT   _C7_    40     1.54133   117.30532    57.35521
   48    47 S   HC   _H11    41     1.09781   107.40080  -127.11176
   49    47 S   HC   _H12    42     1.09341   112.29646   -10.75643
   50    47 S   C4T  _C8_    43     1.53083   112.26755   114.49404
   51    50 S   HC   _H3_    44     1.10186   109.47275    45.19903
   52    50 S   C4T  _C9_    45     1.56520   118.80744   -84.58309
   53    52 S   HC   _H4_    46     1.09901   112.50467   -32.81936
   54    50 S   C4T  _C11    61     1.57553   117.18508   172.35240
   55    52 S   CO4  _C14    47     1.55445   117.31392    97.51655
   56    55 S   O    _O33    48     1.23824   123.19359    70.17383
   57    52 S   C4T  _C10    58     1.55287    87.33718  -142.91419
   58    57 S   HC   _H13    59     1.09460   115.05379   141.66220
   59    57 S   HC   _H14    60     1.09694   114.07706   -92.80556
   60    54 S   CT   _C12    62     1.53117   117.31507    30.01509
   61    60 S   HC   _H15    63     1.09529   110.91535   -72.03287
   62    60 S   HC   _H16    64     1.09564   110.71250   168.38614
   63    60 S   HC   _H17    65     1.09487   112.13352    48.47429
   64    54 S   CT   _C13    66     1.52776   113.32825  -101.16489
   65    64 S   HC   _H18    67     1.09530   110.77842    72.25236
   66    64 S   HC   _H19    68     1.09550   111.70268   -47.73664
   67    64 S   HC   _H20    69     1.09536   110.93405  -167.71019
   68    55 S   CT   _C15    49     1.52008   117.67809  -109.07738
   69    68 S   HC   _H21    50     1.09702   107.02712  -162.02640
   70    68 S   HC   _H22    51     1.09456   109.88237   -46.64081
   71    68 S   CT   _C16    52     1.53223   110.73284    78.95371
   72    71 S   HC   _H23    53     1.09391   108.10410    34.57043
   73    71 S   HC   _H24    54     1.10099   107.70559   147.10187
  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  17   7   6  14   6   5   5   2   1   1  11   5
   4  18   7  13   7  12  10   5  11   3   2   7   3   2   1   3
   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    71    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    68    71    72    73    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    52    71    40    41    42    54    43    44    45    46  
   39    47    48    49    50    40    43  
   47    48    49    50    40    43  
   41    42    43    44    45    46    47    55    68    69    70    71    72    73  
   42    43    68    71    72    73  
   43    68    71    72    73  
   44    45    46    47    71  
   45    46  
   46  
    0  
   48    49    50    51    52    53    55    57    54    60    64  
   49    50    51    52    54  
   50    51    52    54  
   51    52    53    55    56    68    57    58    59    54    60    61    62    63    64    65    66    67  
   52    53    55    57    54    60    64  
   53    55    56    68    69    70    71    57    58    59    54    60    64  
   55    56    68    57    58    59    54  
   60    61    62    63    64    65    66    67    55    57    58    59  
   56    68    69    70    71    72    73    57    58    59  
   68    69    70    71    57  
   58    59    60    61    62    63    64    65    66    67    68  
   59    60    64  
   60    64  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73  
   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  -0.061200   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   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.037300   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   55   3.7500   0.1050   0.447300   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.121200   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   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   260.000  1.519
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    55   265.000  1.493
   52    57   268.000  1.529
   55    56   570.000  1.229
   55    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    54   268.000  1.529
   54    60   260.000  1.519
   54    64   260.000  1.519
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    71    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  112.98000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    50    51    45.00000  112.72800
   47    50    52    65.00000  119.52000
   47    50    54    65.00000  119.52000
   49    47    48    33.00000  107.80000
   50    47    48    45.00000  111.22300
   50    47    49    45.00000  111.22300
   50    52    53    37.50000  110.70000
   50    52    55    80.00000  115.07000
   50    52    57    63.00000   92.00000
   50    54    57    63.00000   92.00000
   50    54    60    65.00000  119.52000
   50    54    64    65.00000  119.52000
   52    50    51    37.50000  110.70000
   52    55    56    65.00000  127.62700
   52    55    68    70.00000  116.00000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    54    63.00000   92.00000
   55    52    53    40.00000  111.84800
   55    68    69    35.00000  109.50000
   55    68    70    35.00000  109.50000
   55    68    71    63.00000  111.10000
   68    55    56    80.00000  120.40000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    40    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    40    41    50.00000  109.50000
   71    40    42    37.50000  110.70000
   73    71    72    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    71    72    37.50000  110.70000
   40    71    73    37.50000  110.70000
   42    40    41    45.00000  125.66300
   57    52    53    37.50000  110.70000
   57    52    55    80.00000  115.07000
   57    54    60    65.00000  119.52000
   57    54    64    65.00000  119.52000
   59    57    58    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    63.00000   92.00000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    60    61    45.00000  111.22300
   54    60    62    45.00000  111.22300
   54    60    63    45.00000  111.22300
   54    64    65    45.00000  111.22300
   54    64    66    45.00000  111.22300
   54    64    67    45.00000  111.22300
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    54    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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    71   0.44750  1.0 1.0
   29    33    40    71  -0.17800 -1.0 2.0
   29    33    40    71   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   0.31550 -1.0 2.0
   33    37    47    50   0.11250  1.0 3.0
   37    33    40    71   0.56750  1.0 1.0
   37    33    40    71  -0.07550 -1.0 2.0
   37    33    40    71   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   0.15000  1.0 3.0
   37    47    50    52   0.04050  1.0 1.0
   37    47    50    52   0.63700 -1.0 2.0
   37    47    50    52   0.17650  1.0 3.0
   37    47    50    54   0.04050  1.0 1.0
   37    47    50    54   0.63700 -1.0 2.0
   37    47    50    54   0.17650  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   0.15000  1.0 3.0
   47    50    52    55  -0.95700  1.0 1.0
   47    50    52    55  -0.18200 -1.0 2.0
   47    50    52    55   0.29450  1.0 3.0
   47    50    52    57  -0.70950  1.0 1.0
   47    50    52    57   0.38400 -1.0 2.0
   47    50   -54    57  -0.70950  1.0 1.0
   47    50   -54    57   0.38400 -1.0 2.0
   47    50    54    60   0.56750  1.0 1.0
   47    50    54    60  -0.07550 -1.0 2.0
   47    50    54    60   0.20000  1.0 3.0
   47    50    54    64   0.56750  1.0 1.0
   47    50    54    64  -0.07550 -1.0 2.0
   47    50    54    64   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.00000  1.0 1.0
   48    47    50    54   0.00000  1.0 1.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.00000  1.0 1.0
   49    47    50    54   0.00000  1.0 1.0
   50    52    55    56  -0.11250  1.0 1.0
   50    52    55    56   0.11400 -1.0 2.0
   50    52    55    56  -0.28950  1.0 3.0
   50    52    55    68   0.60050  1.0 1.0
   50    52    55    68   0.05600 -1.0 2.0
   50    52    55    68   0.26150  1.0 3.0
   50    52    57    58   0.15000  1.0 3.0
   50    52    57    59   0.15000  1.0 3.0
   50    52   -57    54   0.00000  1.0 1.0
   50    54    60    61   0.00000  1.0 1.0
   50    54    60    62   0.00000  1.0 1.0
   50    54    60    63   0.00000  1.0 1.0
   50    54    64    65   0.00000  1.0 1.0
   50    54    64    66   0.00000  1.0 1.0
   50    54    64    67   0.00000  1.0 1.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50   -54    57   0.15000  1.0 3.0
   51    50    54    60   0.15000  1.0 3.0
   51    50    54    64   0.15000  1.0 3.0
   52    50   -54    57   0.00000  1.0 1.0
   52    50    54    60  -0.70950  1.0 1.0
   52    50    54    60   0.38400 -1.0 2.0
   52    50    54    64  -0.70950  1.0 1.0
   52    50    54    64   0.38400 -1.0 2.0
   52    55    68    69   0.00000  1.0 1.0
   52    55    68    70   0.00000  1.0 1.0
   52    55    68    71   0.60050  1.0 1.0
   52    55    68    71   0.05600 -1.0 2.0
   52    55    68    71   0.26150  1.0 3.0
   52    57   -54    50   0.00000  1.0 1.0
   52    57   -54    60  -0.70950  1.0 1.0
   52    57   -54    60   0.38400 -1.0 2.0
   52    57   -54    64  -0.70950  1.0 1.0
   52    57   -54    64   0.38400 -1.0 2.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    68   0.00000  1.0 1.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    54   0.15000  1.0 3.0
   55    52    57    58   0.15000  1.0 3.0
   55    52    57    59   0.15000  1.0 3.0
   55    52    57    54   0.00000  1.0 1.0
   55    68    71    72  -0.11250  1.0 3.0
   55    68    71    73  -0.11250  1.0 3.0
   55    68    71    40  -0.95700  1.0 1.0
   55    68    71    40  -0.18200 -1.0 2.0
   55    68    71    40   0.29450  1.0 3.0
   56    55    68    69   0.00000  1.0 1.0
   56    55    68    70   0.00000  1.0 1.0
   56    55    68    71   0.30150 -1.0 2.0
   68    71    40    33   0.56750  1.0 1.0
   68    71    40    33  -0.07550 -1.0 2.0
   68    71    40    33   0.20000  1.0 3.0
   68    71    40    41   0.62750  1.0 1.0
   68    71    40    41  -0.30950 -1.0 2.0
   68    71    40    41   0.27300  1.0 3.0
   68    71    40    42   0.15000  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    40   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    40   0.15000  1.0 3.0
   72    71    40    33   0.15000  1.0 3.0
   72    71    40    41   0.23400  1.0 3.0
   72    71    40    42   0.15000  1.0 3.0
   73    71    40    33   0.15000  1.0 3.0
   73    71    40    41   0.23400  1.0 3.0
   73    71    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
   57    52    55    56  -0.11250  1.0 1.0
   57    52    55    56   0.11400 -1.0 2.0
   57    52    55    56  -0.28950  1.0 3.0
   57    52    55    68   0.60050  1.0 1.0
   57    52    55    68   0.05600 -1.0 2.0
   57    52    55    68   0.26150  1.0 3.0
   57    54    60    61   0.00000  1.0 1.0
   57    54    60    62   0.00000  1.0 1.0
   57    54    60    63   0.00000  1.0 1.0
   57    54    64    65   0.00000  1.0 1.0
   57    54    64    66   0.00000  1.0 1.0
   57    54    64    67   0.00000  1.0 1.0
   58    57   -54    50   0.15000  1.0 3.0
   58    57    54    60   0.15000  1.0 3.0
   58    57    54    64   0.15000  1.0 3.0
   59    57   -54    50   0.15000  1.0 3.0
   59    57    54    60   0.15000  1.0 3.0
   59    57    54    64   0.15000  1.0 3.0
   54    50   -52    53   0.15000  1.0 3.0
   54    50   -52    55   0.00000  1.0 1.0
   54    50   -52    57   0.00000  1.0 1.0
   60    54    64    65   0.15000  1.0 3.0
   60    54    64    66   0.15000  1.0 3.0
   60    54    64    67   0.15000  1.0 3.0
   64    54    60    61   0.15000  1.0 3.0
   64    54    60    62   0.15000  1.0 3.0
   64    54    60    63   0.15000  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    71   0.56750  1.0 1.0
   43    33    40    71  -0.07550 -1.0 2.0
   43    33    40    71   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
   52    68    55    56  10.50000 -1.0 2.0
END
