* LIGAND DATABASE FILE (OPLS2005)
*
001      76    80    141    239     421
    1     0 S   NP   _N1_     1    29.06030    96.38169   -21.61449
    2     1 S   H    _HN1     2     1.02778    98.10399   -93.87830
    3     1 S   H    _H1_     3     1.02946    73.36505    12.99055
    4     1 S   H    _H2_     4     1.02820    40.66339   157.96921
    5     1 S   CT   _CA1     5     1.50144   145.37029   114.87730
    6     5 S   HC   _HA1     6     1.09589   105.10592    87.66022
    7     5 S   CO3  _C1_     7     1.53739   112.42061   -32.27475
    8     7 S   O2Z  _O11     8     1.26372   114.97490   -42.94997
    9     7 S   O2Z  _O12     9     1.26238   114.89090   135.75680
   10     5 S   CT   _CB1    10     1.53055   107.35699  -154.61895
   11    10 S   HC   HB11    11     1.09829   109.06342   -50.98765
   12    10 S   HC   HB12    12     1.09802   110.61068    65.56929
   13    10 S   CT   _CG1    13     1.52953   112.60556  -172.04944
   14    13 S   HC   HG11    14     1.09538   110.50741   -69.98189
   15    13 S   HC   HG12    15     1.09664   109.68829    49.21032
   16    13 S   C    _CD1    16     1.51800   112.34494   169.16457
   17    16 S   O    _OE1    17     1.22748   123.27821     6.02669
   18    16 S   N    _N2_    18     1.38644   111.66983  -173.06755
   19    18 S   H    _HN2    19     1.01573   118.94261    -1.36959
   20    18 S   CT1  _CA2    20     1.46139   123.41374   174.75566
   21    20 S   HC   _HA2    21     1.09728   109.34600     4.12103
   22    20 S   C    _C2_    22     1.53648   108.69885  -111.31661
   23    22 S   O    _O2_    23     1.23084   122.22489  -150.55943
   24    20 S   CT   _CB2    32     1.53191   111.65960   126.34287
   25    24 S   HC   HB21    33     1.09454   110.15905    58.04700
   26    24 S   HC   HB22    34     1.09540   110.39108   175.77770
   27    22 S   N    _N3_    24     1.38313   113.86147    36.88923
   28    27 S   H    _HN3    25     1.01566   119.52221    -3.28497
   29    24 S   S    _SG2    35     1.82762   111.65269   -65.71728
   30    27 S   CT   _CA3    26     1.45262   123.29851   177.33714
   31    30 S   HC   HA31    27     1.09545   107.52830   -65.04481
   32    30 S   HC   HA32    28     1.09558   107.98078    51.41048
   33    29 S   CT   _C25    36     1.85209   100.08133   133.15365
   34    33 S   HC   _H3_    37     1.09987   105.07337    44.68266
   35    30 S   CO3  _C3_    29     1.52966   114.04631   173.46262
   36    35 S   O2Z  _O31    30     1.26377   116.08919     1.70777
   37    35 S   O2Z  _O32    31     1.26425   114.41144  -178.26246
   38    33 S   CT   _C22    38     1.56708   114.26953   -73.30308
   39    38 S   OM   _O23    39     1.32783   109.61441   -62.73112
   40    38 S   HC   _H37    40     1.09602   101.73549    68.13712
   41    33 S   CT   _C24    71     1.53644   109.72362   158.65797
   42    41 S   HC   _H39    72     1.09726   109.69439   -53.87201
   43    38 S   CA   _C21    41     1.54766   112.53748   179.06476
   44    41 S   OH   _O25    73     1.42787   113.47846    64.48875
   45    44 S   HO   _H42    74     0.97574   107.05483    39.31811
   46    43 S   CA   _C19    42     1.49915   122.14358  -153.17202
   47    46 S   CA   _C17    43     1.48245   128.89533    -2.25958
   48    46 S   CA   _C18    63     1.43422   115.72133   176.95901
   49    47 S   CA   _C11    44     1.42796   124.89711    -7.61440
   50    49 S   HA   _H34    45     1.07667   122.10428    -4.55389
   51    48 S   CA   _C12    64     1.41361   118.65262     5.09820
   52    51 S   HA   _H35    65     1.08544   122.23984   176.96326
   53    49 S   CA   _C7_    46     1.39761   125.68140   177.73782
   54    53 S   HA   _H30    47     1.08528   120.24268   179.91153
   55    51 S   CA   _C13    66     1.38251   124.27009    -4.09491
   56    55 S   HA   _H36    67     1.08791   118.83714  -178.03357
   57    53 S   CA   _C6_    48     1.36712   119.19912     0.66057
   58    57 S   HA   _H29    49     1.08469   120.97048   180.00000
   59    43 S   CA   _C20    68     1.42497   115.81572    26.02760
   60    57 S   CA   _C9_    50     1.38703   118.22692     1.39465
   61    60 S   HA   _H32    51     1.08576   114.23646   178.56578
   62    59 S   CT   _C23    69     1.51763   125.84414    -4.09720
   63    62 S   HC   _H38    70     1.09809   108.27956   132.42918
   64    47 S   CA   _C15    52     1.43171   121.17283   173.34083
   65    62 S   OH   _O24    75     1.43467   106.51025  -112.14292
   66    65 S   HO   _H41    76     0.97239   107.34683  -169.81918
   67    64 S   CA   _C14    53     1.42604   120.65545     3.27859
   68    67 S   CA   _C8_    54     1.43077   122.71310   180.00000
   69    68 S   HA   _H31    55     1.08598   121.73230     0.90828
   70    68 S   CA   _C4_    56     1.39186   123.82373  -178.94817
   71    70 S   HA   _H27    57     1.08529   120.44080   179.93147
   72    70 S   CA   _C5_    58     1.37159   118.81578    -0.03426
   73    72 S   HA   _H28    59     1.08543   120.68802  -179.90513
   74    72 S   CA   _C10    60     1.39376   118.95707    -0.17471
   75    74 S   HA   _H33    61     1.08593   114.01168  -179.28673
   76    67 S   CA   _C16    62     1.41240   119.61112     0.79746
  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
  14   8   2   1   1  12   5   4  10   6  13   5   1  15  14  13
   8   4   8   4   6   3   6   2   5   3   4   5   2   3   2   6
   1   1   8   7   4   6   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    62    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    59    62    63    41    42    44    45    65  
   38    39    40    43    62    41    42    44  
   36    37  
   37  
    0  
   39    40    43    46    47    48    55    59    62    41    42    44  
   40    43    46    59    41  
   43    46    59    41  
   42    44    45    65    66    43    55    59    62    63  
   44    45    65    59    62    63  
   46    47    49    64    76    48    51    55    56    59    62    63    65  
   45    65    59    62    63  
   62  
   47    49    50    53    60    64    67    74    76    48    51    52    55    59    62  
   49    50    53    54    57    60    61    64    67    68    76    48    51    59  
   51    52    55    56    59    49    64    67    68    72    74    75    76  
   50    53    54    57    58    60    64    67  
   53    54    57    64  
   52    55    56    59    62    67    74    76  
   55    56    59    76  
   54    57    58    60    61    64  
   57    58    60  
   56    59    62    63    65    76  
   59    62  
   58    60    61    64    67  
   60    61    64  
   62    63    65    66  
   61    64    67    68    76  
   64    67  
   63    65    66  
   65    66  
   67    68    69    70    74    76  
   66  
    0  
   68    69    70    71    72    74    75    76  
   69    70    71    72    73    74    76  
   70    71    72    76  
   71    72    73    74    75    76  
   72    73    74  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   33    41   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    43   317.000  1.510
   43    46   469.000  1.400
   43    59   469.000  1.400
   46    47   469.000  1.400
   46    48   469.000  1.400
   47    49   469.000  1.400
   47    64   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    67   469.000  1.400
   67    68   469.000  1.400
   67    76   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    48   469.000  1.400
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    62   317.000  1.510
   62    63   340.000  1.090
   62    41   268.000  1.529
   62    65   320.000  1.410
   41    42   340.000  1.090
   41    44   320.000  1.410
   44    45   553.000  0.945
   65    66   553.000  0.945
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    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  112.17500
   33    41    62    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    44    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    46    70.00000  120.00000
   38    43    59    70.00000  120.00000
   40    38    39    45.00000  125.66300
   43    38    39    85.00000  111.85700
   43    38    40    35.00000  109.50000
   43    46    47    63.00000  120.00000
   43    46    48    63.00000  120.00000
   43    59    55    63.00000  120.00000
   43    59    62    70.00000  120.00000
   46    47    49    63.00000  120.00000
   46    47    64    63.00000  120.00000
   46    48    76    63.00000  120.00000
   46    48    51    63.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    53    63.00000  120.00000
   47    64    60    63.00000  120.00000
   47    64    67    63.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    57    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    60    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    64    63.00000  120.00000
   60    57    58    35.00000  120.00000
   60    64    67    63.00000  120.00000
   64    47    49    63.00000  120.00000
   64    60    61    35.00000  120.00000
   64    67    68    63.00000  120.00000
   64    67    76    63.00000  120.00000
   67    68    69    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    76    74    63.00000  120.00000
   67    76    48    63.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    48    63.00000  120.00000
   76    67    68    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    48    51    63.00000  120.00000
   48    46    47    63.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    55    63.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    59    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    59    62    70.00000  120.00000
   59    43    46    63.00000  120.00000
   59    55    56    35.00000  120.00000
   59    62    63    35.00000  109.50000
   59    62    41    70.00000  112.17500
   59    62    65    90.00000  112.51600
   62    41    42    37.50000  110.70000
   62    41    44    50.00000  109.50000
   62    65    66    55.00000  108.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    62    63    37.50000  110.70000
   41    44    45    55.00000  108.50000
   44    41    42    35.00000  109.50000
   65    62    63    35.00000  109.50000
   65    62    41    50.00000  109.50000
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    62   0.44750  1.0 1.0
   29    33    41    62  -0.17800 -1.0 2.0
   29    33    41    62   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44   0.56750  1.0 1.0
   29    33    41    44  -0.07550 -1.0 2.0
   29    33    41    44   0.20000  1.0 3.0
   33    38    43    46   0.04150 -1.0 2.0
   33    38    43    59   0.04150 -1.0 2.0
   33    41    44    45  -0.11600  1.0 1.0
   33    41    44    45  -0.09450 -1.0 2.0
   33    41    44    45   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.43200  1.0 3.0
   34    33    41    62   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    44   0.23400  1.0 3.0
   38    33    41    62   0.56750  1.0 1.0
   38    33    41    62  -0.07550 -1.0 2.0
   38    33    41    62   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    44   0.86500  1.0 1.0
   38    33    41    44  -0.17500 -1.0 2.0
   38    33    41    44   0.20800  1.0 3.0
   38    43    46    47   3.62500 -1.0 2.0
   38    43    46    48   3.62500 -1.0 2.0
   38    43    59    55   3.62500 -1.0 2.0
   38    43   -59    62   3.62500 -1.0 2.0
   39    38    43    46   0.64500  1.0 1.0
   39    38    43    46   0.14800 -1.0 2.0
   39    38    43    46   0.20650  1.0 3.0
   39    38    43    59   0.64500  1.0 1.0
   39    38    43    59   0.14800 -1.0 2.0
   39    38    43    59   0.20650  1.0 3.0
   40    38    43    46   0.00000  1.0 1.0
   40    38    43    59   0.00000  1.0 1.0
   43    46    47    49   3.62500 -1.0 2.0
   43    46    47    64   3.62500 -1.0 2.0
   43    46    48    76   3.62500 -1.0 2.0
   43    46    48    51   3.62500 -1.0 2.0
   43    59    62    63   0.00000  1.0 1.0
   43    59    62    41   0.04150 -1.0 2.0
   43    59    62    65   0.14300 -1.0 2.0
   43    59    62    65   0.00300  1.0 3.0
   46    43    59    55   3.62500 -1.0 2.0
   46    43    59    62   3.62500 -1.0 2.0
   46    47    49    50   3.62500 -1.0 2.0
   46    47    49    53   3.62500 -1.0 2.0
   46    47    64    60   3.62500 -1.0 2.0
   46    47    64    67   3.62500 -1.0 2.0
   46    48    51    52   3.62500 -1.0 2.0
   46    48   -51    55   3.62500 -1.0 2.0
   47    46    48    76   3.62500 -1.0 2.0
   47    46    48    51   3.62500 -1.0 2.0
   47    49    53    54   3.62500 -1.0 2.0
   47    49    53    57   3.62500 -1.0 2.0
   47    64    67    68   3.62500 -1.0 2.0
   47    64   -67    76   3.62500 -1.0 2.0
   49    47    64    60   3.62500 -1.0 2.0
   49    47    64    67   3.62500 -1.0 2.0
   49    53    57    58   3.62500 -1.0 2.0
   49    53   -57    60   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    57   3.62500 -1.0 2.0
   53    57    60    61   3.62500 -1.0 2.0
   53    57    60    64   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    60   3.62500 -1.0 2.0
   57    60   -64    47   3.62500 -1.0 2.0
   57    60    64    67   3.62500 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   58    57    60    64   3.62500 -1.0 2.0
   60    64    67    68   3.62500 -1.0 2.0
   60    64    67    76   3.62500 -1.0 2.0
   61    60    64    47   3.62500 -1.0 2.0
   61    60    64    67   3.62500 -1.0 2.0
   64    47    49    50   3.62500 -1.0 2.0
   64    47   -49    53   3.62500 -1.0 2.0
   64    67    68    69   3.62500 -1.0 2.0
   64    67    68    70   3.62500 -1.0 2.0
   64    67    76    74   3.62500 -1.0 2.0
   64    67    76    48   3.62500 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68    70    72   3.62500 -1.0 2.0
   67    76   -48    46   3.62500 -1.0 2.0
   67    76    48    51   3.62500 -1.0 2.0
   68    67    76    74   3.62500 -1.0 2.0
   68    67    76    48   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70   -72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74   -76    67   3.62500 -1.0 2.0
   72    74    76    48   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    48    46   3.62500 -1.0 2.0
   74    76    48    51   3.62500 -1.0 2.0
   75    74    76    67   3.62500 -1.0 2.0
   75    74    76    48   3.62500 -1.0 2.0
   76    67    68    69   3.62500 -1.0 2.0
   76    67   -68    70   3.62500 -1.0 2.0
   76    48    51    52   3.62500 -1.0 2.0
   76    48    51    55   3.62500 -1.0 2.0
   48    46    47    49   3.62500 -1.0 2.0
   48    46   -47    64   3.62500 -1.0 2.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    55    59   3.62500 -1.0 2.0
   51    55   -59    43   3.62500 -1.0 2.0
   51    55    59    62   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    59   3.62500 -1.0 2.0
   55    59    62    63   0.00000  1.0 1.0
   55    59    62    41   0.04150 -1.0 2.0
   55    59    62    65   0.14300 -1.0 2.0
   55    59    62    65   0.00300  1.0 3.0
   56    55    59    43   3.62500 -1.0 2.0
   56    55    59    62   3.62500 -1.0 2.0
   59    43    46    47   3.62500 -1.0 2.0
   59    43   -46    48   3.62500 -1.0 2.0
   59    62   -41    33  -0.03700  1.0 1.0
   59    62   -41    33   0.37200 -1.0 2.0
   59    62   -41    33  -0.47300  1.0 3.0
   59    62    41    42   0.43200  1.0 3.0
   59    62    41    44   1.13150  1.0 1.0
   59    62    41    44  -1.01400 -1.0 2.0
   59    62    65    66   0.31900  1.0 1.0
   59    62    65    66  -0.11800 -1.0 2.0
   59    62    65    66   0.38750  1.0 3.0
   62    41    44    45  -0.11600  1.0 1.0
   62    41    44    45  -0.09450 -1.0 2.0
   62    41    44    45   0.21250  1.0 3.0
   63    62    41    33   0.15000  1.0 3.0
   63    62    41    42   0.15000  1.0 3.0
   63    62    41    44   0.23400  1.0 3.0
   63    62    65    66   0.19450  1.0 3.0
   41    33    38    39   0.62750  1.0 1.0
   41    33    38    39  -0.30950 -1.0 2.0
   41    33    38    39   0.27300  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    43  -0.03700  1.0 1.0
   41    33   -38    43   0.37200 -1.0 2.0
   41    33   -38    43  -0.47300  1.0 3.0
   41    62    65    66  -0.11600  1.0 1.0
   41    62    65    66  -0.09450 -1.0 2.0
   41    62    65    66   0.21250  1.0 3.0
   42    41    44    45   0.19450  1.0 3.0
   65    62    41    33   0.86500  1.0 1.0
   65    62    41    33  -0.17500 -1.0 2.0
   65    62    41    33   0.20800  1.0 3.0
   65    62    41    42   0.23400  1.0 3.0
   65    62    41    44   3.75450  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   46    59    43    38   4.00000 -1.0 2.0
   47    48    46    43   4.00000 -1.0 2.0
   49    64    47    46   4.00000 -1.0 2.0
   53    50    49    47   1.10000 -1.0 2.0
   57    54    53    49   1.10000 -1.0 2.0
   60    58    57    53   1.10000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   60    67    64    47   4.00000 -1.0 2.0
   68    76    67    64   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    48    76    67   4.00000 -1.0 2.0
   76    51    48    46   4.00000 -1.0 2.0
   55    52    51    48   1.10000 -1.0 2.0
   59    56    55    51   1.10000 -1.0 2.0
   55    62    59    43   4.00000 -1.0 2.0
END
