* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    145    237     427
    1     0 S   NP   _N1_     1    28.74220    95.17225   -21.02991
    2     1 S   H    _HN1     2     1.02780    88.40450   -72.38930
    3     1 S   H    _H1_     3     1.02962    89.08235    35.97584
    4     1 S   H    _H2_     4     1.02840    32.96498   160.21263
    5     1 S   CT   _CA1     5     1.50100   143.70924   160.57624
    6     5 S   HC   _HA1     6     1.09568   105.27916    58.90084
    7     5 S   CO3  _C1_     7     1.53798   112.39282   -61.44619
    8     7 S   O2Z  _O11     8     1.26343   114.96978   -43.55306
    9     7 S   O2Z  _O12     9     1.26229   114.95896   135.76619
   10     5 S   CT   _CB1    10     1.53103   107.45960   176.93938
   11    10 S   HC   HB11    11     1.09817   109.45355   -50.11265
   12    10 S   HC   HB12    12     1.09829   110.38211    66.50526
   13    10 S   CT   _CG1    13     1.52981   112.59494  -171.21441
   14    13 S   HC   HG11    14     1.09547   110.36179   -61.31951
   15    13 S   HC   HG12    15     1.09637   110.09708    57.84647
   16    13 S   C    _CD1    16     1.51774   112.31547   178.18512
   17    16 S   O    _OE1    17     1.22711   123.23727    -8.14647
   18    16 S   N    _N2_    18     1.38586   111.57470   172.24061
   19    18 S   H    _HN2    19     1.01588   119.01035     1.31834
   20    18 S   CT1  _CA2    20     1.46262   123.50185  -178.15241
   21    20 S   HC   _HA2    21     1.09731   109.39527   -13.53927
   22    20 S   C    _C2_    22     1.53413   108.30472  -129.24083
   23    22 S   O    _O2_    23     1.23005   122.28846  -146.08201
   24    20 S   CT   _CB2    32     1.53379   111.12350   108.59068
   25    24 S   HC   HB21    33     1.09558   109.65083    54.28081
   26    24 S   HC   HB22    34     1.09502   110.84065   172.91468
   27    22 S   N    _N3_    24     1.38527   113.32895    41.34047
   28    27 S   H    _HN3    25     1.01529   118.88441    -0.69041
   29    24 S   S    _SG2    35     1.82849   111.56532   -67.77791
   30    27 S   CT   _CA3    26     1.45457   123.51955   175.02590
   31    30 S   HC   HA31    27     1.09517   109.30887    22.84755
   32    30 S   HC   HA32    28     1.09496   107.10037   139.87679
   33    29 S   CT   _C13    36     1.84684    99.57771   152.39473
   34    33 S   HC   _H7_    37     1.09735   107.99167    34.45539
   35    30 S   CO3  _C3_    29     1.52927   113.08131  -100.67297
   36    35 S   O2Z  _O31    30     1.26405   115.39920   -44.04014
   37    35 S   O2Z  _O32    31     1.26354   114.98119   136.87858
   38    33 S   C3T  _C12    38     1.51506   105.38053   -84.28648
   39    38 S   HC   _H6_    39     1.07616   117.74091    45.03975
   40    38 S   C3T  _C11    40     1.49705   109.88778  -104.54375
   41    40 S   CT   _C10    41     1.52450   108.11856    -0.11014
   42    41 S   HC   _H5_    42     1.10029   106.46675    95.02425
   43    40 S   CT   _C5_    60     1.51534   124.39190   152.27945
   44    38 S   O3T  _O33    73     1.43386   115.70428  -168.72775
   45    41 S   CT   _C9_    43     1.54202   112.65175  -147.27365
   46    45 S   HC   _H4_    44     1.09842   110.75771    54.08088
   47    43 S   CT   _C4_    61     1.53890   112.95546    17.10079
   48    47 S   HC   _H8_    62     1.09532   111.26888   -61.54266
   49    47 S   HC   _H9_    63     1.09645   110.78079  -178.81007
   50    47 S   HC   _H10    64     1.09480   112.11092    60.11897
   51    43 S   OH   _O37    65     1.42894   109.71452  -101.44341
   52    51 S   HO   _H20    66     0.97263   107.90019    63.69183
   53    33 S   CT   _C14    67     1.58028   114.67442   160.51487
   54    53 S   OM   _O34    68     1.32664   108.05411  -152.17529
   55    45 S   CT   _C8_    45     1.52606   112.07462   -70.79550
   56    55 S   HC   _H3_    46     1.09836   109.75112   -36.84851
   57    53 S   CT   _C15    69     1.54165   114.66951   -33.33078
   58    57 S   HC   _H15    70     1.09831   111.54314   -51.60879
   59    57 S   HC   _H16    71     1.09744   112.66235  -171.50576
   60    57 S   HC   _H17    72     1.09574   111.86005    68.94178
   61    55 S   CM   _C17    47     1.49390   100.46515  -148.25846
   62    55 S   CT   _C7_    54     1.52879   115.67933    86.94082
   63    62 S   HC   _H13    55     1.09900   107.68123  -165.27711
   64    62 S   HC   _H14    56     1.09860   110.14128    80.61441
   65    61 S   CO4  _C16    48     1.47554   108.24781    23.30772
   66    65 S   O    _O36    49     1.21755   127.08186   169.44160
   67    61 S   CM   _C18    51     1.33611   130.18208  -155.78650
   68    67 S   HC   _H18    52     1.08458   121.14559    -0.89043
   69    67 S   HC   _H19    53     1.08524   121.64064   179.44012
   70    62 S   CT   _C6_    57     1.53336   118.03522   -42.76823
   71    70 S   HC   _H11    58     1.09830   108.62453    90.77890
   72    70 S   HC   _H12    59     1.09892   105.75214  -156.75537
   73    45 S   OS   _O35    50     1.44237   110.21157   173.02326
  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  10   5   4   3
  15   8   2   1   1  13   5  21  20   9  16   5  15   7   9   4
   3   2   5   1   7   4  14   8   3   2   1   1  10   8   4   3
   5   2   3   1   1   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    53    54    57    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    43    53    54    57    58    59    60    44  
   38    39    40    41    53    54    57    44  
   36    37  
   37  
    0  
   39    40    41    42    45    70    43    47    51    53    54    57    44  
   40    41    43    53    44  
   41    42    45    46    55    73    62    70    71    72    43    47    48    49    50    51    52    53    54    57    44  
   42    45    46    55    56    61    65    73    62    70    43    47    51    53    54    57    58    59    60    44  
   45    46    55    73    43    53    54    57    44  
   47    48    49    50    51    52    53    44    45    55    62    63    64    70    71    72  
   45    47    51    53    70  
   46    55    56    61    65    66    73    67    62    63    64    70    53    54    57  
   55    56    61    65    73    62    53  
   48    49    50    51    52    62    70    71    72  
   49    50    51    70  
   50    51    70  
   51    70  
   52    62    70    71    72  
   70  
   54    57    58    59    60    55    73  
   57    58    59    60  
   56    61    65    66    73    67    68    69    62    63    64    70    71    72  
   61    65    73    67    62    63    64    70  
   58    59    60  
   59    60  
   60  
    0  
   65    66    73    67    68    69    62    63    64    70  
   63    64    70    71    72    65    67    73  
   64    70    71    72  
   70    71    72  
   66    73    67    68    69  
   73    67  
   68    69    73  
   69  
    0  
   71    72  
   72  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   275.000  1.510
   33    53   268.000  1.529
   38    39   340.000  1.088
   38    40   260.000  1.509
   38    44   335.000  1.432
   40    41   275.000  1.510
   40    43   275.000  1.510
   40    44   335.000  1.432
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    53   268.000  1.529
   45    46   340.000  1.090
   45    55   268.000  1.529
   45    73   320.000  1.410
   55    56   340.000  1.090
   55    61   317.000  1.510
   55    62   268.000  1.529
   61    65   320.000  1.462
   61    67   549.000  1.340
   65    66   570.000  1.229
   65    73   214.000  1.327
   67    68   340.000  1.080
   67    69   340.000  1.080
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    43   268.000  1.529
   43    47   268.000  1.529
   43    51   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   553.000  0.945
   53    54   570.000  1.307
   53    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    53    75.00000  111.63000
   33    38    39    40.00000  115.04500
   33    38    40    60.00000  120.94000
   33    38    44    80.00000  116.47100
   33    53    41    58.35000  112.70000
   33    53    54    50.00000  109.50000
   33    53    57    58.35000  112.70000
   38    33    34    45.00000  109.38400
   38    40    41    60.00000  120.94000
   38    40    43    60.00000  120.94000
   38    40    44    15.00000   60.43100
   38    44    40    15.00000   59.14900
   40    38    39    37.50000  117.20000
   40    41    42    45.00000  109.38400
   40    41    45    70.00000  112.37300
   40    41    53    70.00000  112.37300
   40    43    70    70.00000  112.37300
   40    43    47    70.00000  112.37300
   40    43    51    50.00000  109.50000
   41    45    46    37.50000  110.70000
   41    45    55    58.35000  112.70000
   41    45    73    50.00000  109.50000
   41    53    54    50.00000  109.50000
   41    53    57    58.35000  112.70000
   45    41    42    37.50000  110.70000
   45    55    56    37.50000  110.70000
   45    55    61    70.00000  112.02700
   45    55    62    58.35000  112.70000
   45    73    65    83.00000  116.90000
   55    45    46    37.50000  110.70000
   55    61    65    65.00000  116.34900
   55    61    67    70.00000  124.00000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    70    58.35000  112.70000
   61    55    56    35.00000  109.50000
   61    65    66    80.00000  123.72100
   61    65    73    90.00000  111.29400
   61    67    68    35.00000  120.00000
   61    67    69    35.00000  120.00000
   73    45    46    35.00000  109.50000
   73    45    55    50.00000  109.50000
   73    65    66    83.00000  123.40000
   67    61    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   62    55    56    37.50000  110.70000
   62    55    61    70.00000  112.02700
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    43    58.35000  112.70000
   64    62    63    33.00000  107.80000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   70    43    47    58.35000  112.70000
   70    43    51    50.00000  109.50000
   72    70    71    33.00000  107.80000
   43    40    41    58.35000  112.70000
   43    70    71    37.50000  110.70000
   43    70    72    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   43    51    52    55.00000  108.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    47    50.00000  109.50000
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.37300
   53    41    42    37.50000  110.70000
   53    41    45    58.35000  112.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   57    53    54    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   44    38    39    50.00000  114.27700
   44    38    40    15.00000   60.43100
   44    40    41    80.00000  116.47100
   44    40    43    80.00000  116.47100
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    53    41   0.44750  1.0 1.0
   29    33    53    41  -0.17800 -1.0 2.0
   29    33    53    41   0.20200  1.0 3.0
   29    33    53    54   0.56750  1.0 1.0
   29    33    53    54  -0.07550 -1.0 2.0
   29    33    53    54   0.20000  1.0 3.0
   29    33    53    57   0.44750  1.0 1.0
   29    33    53    57  -0.17800 -1.0 2.0
   29    33    53    57   0.20200  1.0 3.0
   33    38   -40    41   0.56750  1.0 1.0
   33    38   -40    41  -0.07550 -1.0 2.0
   33    38   -40    41   0.20000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38   -40    44   0.02550  1.0 1.0
   33    38   -40    44  -0.02600 -1.0 2.0
   33    38   -40    44   1.20400  1.0 3.0
   33    38   -44    40   0.06250  1.0 1.0
   33    38   -44    40  -0.01100 -1.0 2.0
   33    38   -44    40   0.28050  1.0 3.0
   33    53    57    58   0.15000  1.0 3.0
   33    53    57    59   0.15000  1.0 3.0
   33    53    57    60   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    44   0.23400  1.0 3.0
   34    33    53    41   0.15000  1.0 3.0
   34    33    53    54   0.23400  1.0 3.0
   34    33    53    57   0.15000  1.0 3.0
   38    33   -53    41   0.47050  1.0 1.0
   38    33   -53    41   0.03900 -1.0 2.0
   38    33   -53    41   0.20100  1.0 3.0
   38    33    53    54  -0.26800  1.0 1.0
   38    33    53    54   0.69150 -1.0 2.0
   38    33    53    54  -0.48750  1.0 3.0
   38    33    53    57   0.47050  1.0 1.0
   38    33    53    57   0.03900 -1.0 2.0
   38    33    53    57   0.20100  1.0 3.0
   38    40    41    42   0.15000  1.0 3.0
   38    40    41    45   0.07850  1.0 1.0
   38    40    41    45  -0.03950 -1.0 2.0
   38    40    41    45   0.67350  1.0 3.0
   38    40   -41    53   0.07850  1.0 1.0
   38    40   -41    53  -0.03950 -1.0 2.0
   38    40   -41    53   0.67350  1.0 3.0
   38    40    43    70   0.07850  1.0 1.0
   38    40    43    70  -0.03950 -1.0 2.0
   38    40    43    70   0.67350  1.0 3.0
   38    40    43    47   0.07850  1.0 1.0
   38    40    43    47  -0.03950 -1.0 2.0
   38    40    43    47   0.67350  1.0 3.0
   38    40    43    51   0.86500  1.0 1.0
   38    40    43    51  -0.17500 -1.0 2.0
   38    40    43    51   0.20800  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38   -40    44   0.23400  1.0 3.0
   39    38   -44    40   0.36800  1.0 3.0
   40    41    45    46   0.15000  1.0 3.0
   40    41    45    55   0.47050  1.0 1.0
   40    41    45    55   0.03900 -1.0 2.0
   40    41    45    55   0.20100  1.0 3.0
   40    41    45    73  -0.26800  1.0 1.0
   40    41    45    73   0.69150 -1.0 2.0
   40    41    45    73  -0.48750  1.0 3.0
   40    41   -53    33   0.47050  1.0 1.0
   40    41   -53    33   0.03900 -1.0 2.0
   40    41   -53    33   0.20100  1.0 3.0
   40    41    53    54  -0.26800  1.0 1.0
   40    41    53    54   0.69150 -1.0 2.0
   40    41    53    54  -0.48750  1.0 3.0
   40    41    53    57   0.47050  1.0 1.0
   40    41    53    57   0.03900 -1.0 2.0
   40    41    53    57   0.20100  1.0 3.0
   40    43    47    48   0.15000  1.0 3.0
   40    43    47    49   0.15000  1.0 3.0
   40    43    47    50   0.15000  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   41    40    43    70   0.56750  1.0 1.0
   41    40    43    70  -0.07550 -1.0 2.0
   41    40    43    70   0.20000  1.0 3.0
   41    40    43    47   0.56750  1.0 1.0
   41    40    43    47  -0.07550 -1.0 2.0
   41    40    43    47   0.20000  1.0 3.0
   41    40    43    51   0.86500  1.0 1.0
   41    40    43    51  -0.17500 -1.0 2.0
   41    40    43    51   0.20800  1.0 3.0
   41    40   -44    38   0.06250  1.0 1.0
   41    40   -44    38  -0.01100 -1.0 2.0
   41    40   -44    38   0.28050  1.0 3.0
   41    45    55    56   0.15000  1.0 3.0
   41    45    55    61   0.34400  1.0 1.0
   41    45    55    61   0.09450 -1.0 2.0
   41    45    55    61   0.11100  1.0 3.0
   41    45    55    62   0.56750  1.0 1.0
   41    45    55    62  -0.07550 -1.0 2.0
   41    45    55    62   0.20000  1.0 3.0
   41    45    73    65  -0.25900  1.0 1.0
   41    45    73    65  -0.47000 -1.0 2.0
   41    45    73    65   0.11750  1.0 3.0
   41    53    57    58   0.15000  1.0 3.0
   41    53    57    59   0.15000  1.0 3.0
   41    53    57    60   0.15000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    55   0.15000  1.0 3.0
   42    41    45    73   0.23400  1.0 3.0
   42    41    53    33   0.15000  1.0 3.0
   42    41    53    54   0.23400  1.0 3.0
   42    41    53    57   0.15000  1.0 3.0
   45    41    53    33   0.56750  1.0 1.0
   45    41    53    33  -0.07550 -1.0 2.0
   45    41    53    33   0.20000  1.0 3.0
   45    41    53    54   0.62750  1.0 1.0
   45    41    53    54  -0.30950 -1.0 2.0
   45    41    53    54   0.27300  1.0 3.0
   45    41    53    57   0.56750  1.0 1.0
   45    41    53    57  -0.07550 -1.0 2.0
   45    41    53    57   0.20000  1.0 3.0
   45    55   -61    65   0.09700  1.0 1.0
   45    55   -61    65   0.15600 -1.0 2.0
   45    55   -61    65  -0.50800  1.0 3.0
   45    55    61    67   0.09850  1.0 1.0
   45    55    61    67   0.15250 -1.0 2.0
   45    55    61    67  -0.50650  1.0 3.0
   45    55    62    63   0.15000  1.0 3.0
   45    55    62    64   0.15000  1.0 3.0
   45    55    62    70   0.56750  1.0 1.0
   45    55    62    70  -0.07550 -1.0 2.0
   45    55    62    70   0.20000  1.0 3.0
   46    45    55    56   0.15000  1.0 3.0
   46    45    55    61   0.15000  1.0 3.0
   46    45    55    62   0.15000  1.0 3.0
   46    45    73    65   0.08050  1.0 3.0
   55    45   -73    65  -0.25900  1.0 1.0
   55    45   -73    65  -0.47000 -1.0 2.0
   55    45   -73    65   0.11750  1.0 3.0
   55    61    65    66  -0.64400  1.0 1.0
   55    61    65    66   0.26850 -1.0 2.0
   55    61   -65    73  -0.15000  1.0 1.0
   55    61   -65    73   0.89550 -1.0 2.0
   55    61   -65    73  -0.06900  1.0 3.0
   55    61    67    68   7.00000 -1.0 2.0
   55    61    67    69   7.00000 -1.0 2.0
   55    62    70    71   0.15000  1.0 3.0
   55    62    70    72   0.15000  1.0 3.0
   55    62    70    43   0.56750  1.0 1.0
   55    62    70    43  -0.07550 -1.0 2.0
   55    62    70    43   0.20000  1.0 3.0
   56    55    61    65   0.15000  1.0 3.0
   56    55    61    67   0.00000  1.0 1.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    70   0.15000  1.0 3.0
   61    55    62    63   0.15000  1.0 3.0
   61    55    62    64   0.15000  1.0 3.0
   61    55    62    70   0.34400  1.0 1.0
   61    55    62    70   0.09450 -1.0 2.0
   61    55    62    70   0.11100  1.0 3.0
   61    65   -73    45   2.00000 -1.0 2.0
   65    61    67    68   7.00000 -1.0 2.0
   65    61    67    69   7.00000 -1.0 2.0
   66    65    73    45   3.00000 -1.0 2.0
   73    45    55    56   0.23400  1.0 3.0
   73    45   -55    61   0.61850  1.0 1.0
   73    45   -55    61  -0.22750 -1.0 2.0
   73    45   -55    61   0.15300  1.0 3.0
   73    45    55    62   0.62750  1.0 1.0
   73    45    55    62  -0.30950 -1.0 2.0
   73    45    55    62   0.27300  1.0 3.0
   67    61    65    66   1.00000 -1.0 2.0
   67    61    65    73  -0.56150  1.0 1.0
   67    61    65    73   2.19150 -1.0 2.0
   62    55    61    65   0.09700  1.0 1.0
   62    55    61    65   0.15600 -1.0 2.0
   62    55    61    65  -0.50800  1.0 3.0
   62    55    61    67   0.09850  1.0 1.0
   62    55    61    67   0.15250 -1.0 2.0
   62    55    61    67  -0.50650  1.0 3.0
   62    70    43    40   0.47050  1.0 1.0
   62    70    43    40   0.03900 -1.0 2.0
   62    70    43    40   0.20100  1.0 3.0
   62    70    43    47   0.56750  1.0 1.0
   62    70    43    47  -0.07550 -1.0 2.0
   62    70    43    47   0.20000  1.0 3.0
   62    70    43    51   0.86500  1.0 1.0
   62    70    43    51  -0.17500 -1.0 2.0
   62    70    43    51   0.20800  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    43   0.15000  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    72   0.15000  1.0 3.0
   64    62    70    43   0.15000  1.0 3.0
   70    43    47    48   0.15000  1.0 3.0
   70    43    47    49   0.15000  1.0 3.0
   70    43    47    50   0.15000  1.0 3.0
   70    43    51    52  -0.11600  1.0 1.0
   70    43    51    52  -0.09450 -1.0 2.0
   70    43    51    52   0.21250  1.0 3.0
   71    70    43    40   0.15000  1.0 3.0
   71    70    43    47   0.15000  1.0 3.0
   71    70    43    51   0.23400  1.0 3.0
   72    70    43    40   0.15000  1.0 3.0
   72    70    43    47   0.15000  1.0 3.0
   72    70    43    51   0.23400  1.0 3.0
   43    40    41    42   0.15000  1.0 3.0
   43    40    41    45   0.56750  1.0 1.0
   43    40    41    45  -0.07550 -1.0 2.0
   43    40    41    45   0.20000  1.0 3.0
   43    40    41    53   0.56750  1.0 1.0
   43    40    41    53  -0.07550 -1.0 2.0
   43    40    41    53   0.20000  1.0 3.0
   43    40   -44    38   0.06250  1.0 1.0
   43    40   -44    38  -0.01100 -1.0 2.0
   43    40   -44    38   0.28050  1.0 3.0
   47    43    51    52  -0.11600  1.0 1.0
   47    43    51    52  -0.09450 -1.0 2.0
   47    43    51    52   0.21250  1.0 3.0
   51    43    47    48   0.23400  1.0 3.0
   51    43    47    49   0.23400  1.0 3.0
   51    43    47    50   0.23400  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40   0.07850  1.0 1.0
   53    33   -38    40  -0.03950 -1.0 2.0
   53    33   -38    40   0.67350  1.0 3.0
   53    33    38    44   0.02550  1.0 1.0
   53    33    38    44  -0.02600 -1.0 2.0
   53    33    38    44   1.20400  1.0 3.0
   53    41    45    46   0.15000  1.0 3.0
   53    41    45    55   0.56750  1.0 1.0
   53    41    45    55  -0.07550 -1.0 2.0
   53    41    45    55   0.20000  1.0 3.0
   53    41    45    73   0.62750  1.0 1.0
   53    41    45    73  -0.30950 -1.0 2.0
   53    41    45    73   0.27300  1.0 3.0
   54    53    57    58   0.23400  1.0 3.0
   54    53    57    59   0.23400  1.0 3.0
   54    53    57    60   0.23400  1.0 3.0
   44    38   -40    41   0.02550  1.0 1.0
   44    38   -40    41  -0.02600 -1.0 2.0
   44    38   -40    41   1.20400  1.0 3.0
   44    38   -40    43   0.02550  1.0 1.0
   44    38   -40    43  -0.02600 -1.0 2.0
   44    38   -40    43   1.20400  1.0 3.0
   44    40    41    42   0.23400  1.0 3.0
   44    40    41    45   0.02550  1.0 1.0
   44    40    41    45  -0.02600 -1.0 2.0
   44    40    41    45   1.20400  1.0 3.0
   44    40   -41    53   0.02550  1.0 1.0
   44    40   -41    53  -0.02600 -1.0 2.0
   44    40   -41    53   1.20400  1.0 3.0
   44    40    43    70   0.02550  1.0 1.0
   44    40    43    70  -0.02600 -1.0 2.0
   44    40    43    70   1.20400  1.0 3.0
   44    40    43    47   0.02550  1.0 1.0
   44    40    43    47  -0.02600 -1.0 2.0
   44    40    43    47   1.20400  1.0 3.0
   44    40    43    51   3.69350  1.0 1.0
   44    40    43    51  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   55    65    61    67   1.10000 -1.0 2.0
   61    73    65    66  10.50000 -1.0 2.0
   68    69    67    61   1.10000 -1.0 2.0
END
