* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    141    217     409
    1     0 S   NP   _N1_     1    29.46469    98.01254   -20.22461
    2     1 S   H    _HN1     2     1.02962    50.37552   134.73791
    3     1 S   H    _H1_     3     1.02797    99.70792  -120.07221
    4     1 S   H    _H2_     4     1.02840    62.86291   -14.38398
    5     1 S   CT   _CA1     5     1.50602   147.37953    73.12871
    6     5 S   HC   _HA1     6     1.09692   104.50915   110.17557
    7     5 S   CO3  _C1_     7     1.54467   110.94821    -5.31758
    8     7 S   O2Z  _O11     8     1.25985   116.80392  -125.56208
    9     7 S   O2Z  _O12     9     1.26620   113.67675    53.41381
   10     5 S   CT   _CB1    10     1.53136   106.86899  -133.68410
   11    10 S   HC   HB11    11     1.09842   110.02763   -40.35959
   12    10 S   HC   HB12    12     1.09764   110.20725    76.39167
   13    10 S   CT   _CG1    13     1.52921   112.29263  -160.81395
   14    13 S   HC   HG11    14     1.09380   110.90401   -61.75673
   15    13 S   HC   HG12    15     1.09663   109.55747    57.32599
   16    13 S   C    _CD1    16     1.51773   112.28455   178.05801
   17    16 S   O    _OE1    17     1.22723   123.29156    12.60110
   18    16 S   N    _N2_    18     1.38613   111.65868  -167.95908
   19    18 S   H    _HN2    19     1.01527   118.82639     3.26711
   20    18 S   CT1  _CA2    20     1.46039   123.63894   178.80057
   21    20 S   HC   _HA2    21     1.09715   109.27003     5.47382
   22    20 S   C    _C2_    22     1.53651   108.88355  -110.21215
   23    22 S   O    _O2_    23     1.23085   122.11632  -151.47627
   24    20 S   CT   _CB2    32     1.53402   111.72069   127.53330
   25    24 S   HC   HB21    33     1.09528   110.54699    60.09233
   26    24 S   HC   HB22    34     1.09562   109.97486   177.55960
   27    22 S   N    _N3_    24     1.38263   113.97109    35.73311
   28    27 S   H    _HN3    25     1.01560   119.56704    -2.88188
   29    24 S   S    _SG2    35     1.83095   112.34051   -64.07696
   30    27 S   CT   _CA3    26     1.45277   123.32151   177.52314
   31    30 S   HC   HA31    27     1.09543   107.46081   -66.76441
   32    30 S   HC   HA32    28     1.09556   108.07119    49.72082
   33    29 S   CT   _C20    36     1.84211   100.30335   120.90926
   34    33 S   HC   _H3_    37     1.09620   107.78793    45.40829
   35    30 S   CO3  _C3_    29     1.52977   114.01875   171.78931
   36    35 S   O2Z  _O31    30     1.26383   116.07206     0.53959
   37    35 S   O2Z  _O32    31     1.26425   114.41080  -179.38930
   38    33 S   CM   _C11    38     1.50857   108.51897   -75.65039
   39    38 S   HC   _H27    39     1.08887   116.68068   -62.39663
   40    33 S   CT   _C19    56     1.53822   108.27741   163.44532
   41    40 S   HC   _H40    57     1.09733   109.88430    70.04006
   42    40 S   HC   _H41    58     1.09776   109.75490   -49.56140
   43    38 S   CM   _C10    40     1.34275   123.46706   116.77969
   44    43 S   HC   _H26    41     1.08693   120.10066    -0.76745
   45    40 S   C    _C12    59     1.52662   113.27260  -168.39092
   46    45 S   O    _O19    60     1.23323   120.78927     5.46433
   47    43 S   CA   _C7_    42     1.46890   123.63406  -178.00335
   48    45 S   N    _N18    61     1.39684   116.23510  -175.10487
   49    47 S   CA   _C4_    43     1.41345   118.48205   139.12055
   50    49 S   HA   _H23    44     1.08845   120.25404    -0.73409
   51    48 S   CT   _C16    62     1.46794   125.80514    -2.99434
   52    51 S   HC   _H34    63     1.09084   112.35490     1.52316
   53    51 S   HC   _H35    64     1.09672   107.08794  -115.56065
   54    49 S   CA   _C5_    45     1.39841   121.09920  -179.98022
   55    54 S   HA   _H24    46     1.08408   120.86939   179.38802
   56    51 S   CT   _C14    65     1.52690   110.52535   124.31602
   57    56 S   HC   _H30    66     1.09715   109.38299   -66.65194
   58    56 S   HC   _H31    67     1.09547   109.91892   175.79201
   59    54 S   CA   _C8_    47     1.37778   117.71453    -0.77708
   60    56 S   CT   _C13    68     1.52869   111.18844    53.95797
   61    60 S   HC   _H28    69     1.09560   109.85650  -174.97340
   62    60 S   HC   _H29    70     1.09691   109.43815    67.71299
   63    59 S   CA   _C9_    48     1.37444   121.67110    -0.15451
   64    60 S   CT   _C15    71     1.52849   111.07299   -53.22303
   65    64 S   HC   _H32    72     1.09546   109.89511   175.03904
   66    64 S   HC   _H33    73     1.09721   109.05264   -67.66027
   67    47 S   CA   _C6_    49     1.40386   121.99952   -42.32771
   68    67 S   HA   _H25    50     1.08528   121.81448     0.21029
   69    63 S   OS   _O21    51     1.36085   112.32319  -179.35593
   70    48 S   CT   _C17    74     1.46426   119.70153   178.16666
   71    70 S   HC   _H36    75     1.09644   107.44168   114.85551
   72    70 S   HC   _H37    76     1.09439   111.11426    -2.37191
   73    69 S   CO   _C18    52     1.44175   101.00144     0.04846
   74    73 S   HC   _H38    53     1.09549   108.89158  -121.45113
   75    73 S   HC   _H39    54     1.09614   108.62461   120.42508
   76    59 S   OS   _O20    55     1.36044   125.93071  -179.77100
  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   9   5   4   3
  12   7   2   1   1  10   4   8   4   3   8   3  10   3   9  13
   8   4  12   6   5   7   3   9   5   4   8   8   5   4   7   5
   4   3   4   1   4   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    48  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    49    67    40    41    42    45  
   43    44    47    40  
   41    42    45    46    48    51    70    43  
   42    45    46    48  
   45    46    48  
   44    47    49    50    54    63    67    68  
   47    49    67  
   46    48    51    52    53    56    64    70    71    72  
   48    51    70  
   49    50    54    55    59    63    67    68    69  
   51    52    53    56    57    58    60    64    65    66    70    71    72  
   50    54    55    59    63    67    68    76  
   54    55    59    67  
   52    53    56    57    58    60    61    62    64    70    71    72  
   53    56    57    58    60    70  
   56    57    58    60    70  
   55    59    63    67    69    73    76  
   59    63    76  
   57    58    60    61    62    64    65    66    70  
   58    60    61    62    64  
   60    61    62    64  
   63    67    68    69    73    74    75    76  
   61    62    64    65    66    70    71    72  
   62    64    65    66    70  
   64    65    66    70  
   67    68    69    73    74    75    76  
   65    66    70    71    72  
   66    70    71    72  
   70    71    72  
   68    69    73    76  
   69  
   73    74    75    76  
   71    72  
   72  
    0  
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   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   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   76   2.9000   0.1400  -0.285000   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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   320.000  1.460
   47    49   469.000  1.400
   47    67   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    63   469.000  1.400
   59    76   450.000  1.364
   63    67   469.000  1.400
   63    69   450.000  1.364
   67    68   367.000  1.080
   69    73   320.000  1.380
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   320.000  1.380
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    48   490.000  1.335
   48    51   337.000  1.449
   48    70   337.000  1.449
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    60.00000  123.20500
   43    38    39    35.00000  120.00000
   43    47    49    60.00000  120.93500
   43    47    67    60.00000  120.93500
   47    43    44    40.00000  117.26300
   47    49    50    35.00000  120.00000
   47    49    54    63.00000  120.00000
   47    67    63    63.00000  120.00000
   47    67    68    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    59    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    59    63    63.00000  120.00000
   54    59    76    70.00000  120.00000
   59    54    55    35.00000  120.00000
   59    63    67    63.00000  120.00000
   59    63    69    70.00000  120.00000
   59    76    73   100.00000  112.36700
   63    67    68    35.00000  120.00000
   63    69    73   100.00000  112.36700
   67    47    49    63.00000  120.00000
   69    63    67    70.00000  120.00000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    92.60000  111.55000
   75    73    74    33.00000  109.50000
   76    59    63    70.00000  120.00000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    48    70.00000  116.60000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    51    50.00000  121.90000
   45    48    70    50.00000  121.90000
   48    45    46    80.00000  122.90000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    56    70.00000  110.72300
   48    70    64    70.00000  110.72300
   48    70    71    35.00000  109.50000
   48    70    72    35.00000  109.50000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    60    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    64    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    70    58.35000  112.70000
   62    60    61    33.00000  107.80000
   64    60    61    37.50000  110.70000
   64    60    62    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   66    64    65    33.00000  107.80000
   70    48    51    50.00000  118.00000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   72    70    71    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    48   1.39750  1.0 1.0
   33    40    45    48  -0.07950 -1.0 2.0
   33    40    45    48  -0.18750  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    49   0.15800  1.0 1.0
   38    43    47    49   1.85350 -1.0 2.0
   38    43    47    49  -0.48700  1.0 3.0
   38    43    47    67   0.15800  1.0 1.0
   38    43    47    67   1.85350 -1.0 2.0
   38    43    47    67  -0.48700  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    49    50   3.62500 -1.0 2.0
   43    47    49    54   3.62500 -1.0 2.0
   43    47    67    63   3.62500 -1.0 2.0
   43    47    67    68   3.62500 -1.0 2.0
   44    43    47    49   0.56550  1.0 3.0
   44    43    47    67   0.56550  1.0 3.0
   47    49    54    55   3.62500 -1.0 2.0
   47    49    54    59   3.62500 -1.0 2.0
   49    47    67    63   3.62500 -1.0 2.0
   49    47    67    68   3.62500 -1.0 2.0
   49    54   -59    63   3.62500 -1.0 2.0
   49    54    59    76   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    59   3.62500 -1.0 2.0
   54    59    63    67   3.62500 -1.0 2.0
   54    59    63    69   3.62500 -1.0 2.0
   54    59    76    73   1.63200 -1.0 2.0
   55    54    59    63   3.62500 -1.0 2.0
   55    54    59    76   3.62500 -1.0 2.0
   59    63   -67    47   3.62500 -1.0 2.0
   59    63    67    68   3.62500 -1.0 2.0
   59    63   -69    73   1.63200 -1.0 2.0
   63    59   -76    73   1.63200 -1.0 2.0
   63    69    73    74   0.08050  1.0 3.0
   63    69    73    75   0.08050  1.0 3.0
   63    69   -73    76  -0.25600  1.0 1.0
   63    69   -73    76  -0.40050 -1.0 2.0
   63    69   -73    76   0.34700  1.0 3.0
   67    47    49    50   3.62500 -1.0 2.0
   67    47   -49    54   3.62500 -1.0 2.0
   67    63    69    73   1.63200 -1.0 2.0
   69    63    67    47   3.62500 -1.0 2.0
   69    63    67    68   3.62500 -1.0 2.0
   69    73   -76    59  -0.25600  1.0 1.0
   69    73   -76    59  -0.40050 -1.0 2.0
   69    73   -76    59   0.34700  1.0 3.0
   74    73    76    59   0.08050  1.0 3.0
   75    73    76    59   0.08050  1.0 3.0
   76    59    63    67   3.62500 -1.0 2.0
   76    59   -63    69   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    48    51   1.49850  1.0 1.0
   40    45    48    51   1.53950 -1.0 2.0
   40    45    48    70   1.49850  1.0 1.0
   40    45    48    70   1.53950 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    48   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    48   0.00000  1.0 1.0
   45    48    51    52   0.00000  1.0 1.0
   45    48    51    53   0.00000  1.0 1.0
   45    48    51    56  -0.43950  1.0 1.0
   45    48    51    56  -0.08100 -1.0 2.0
   45    48    51    56   0.03350  1.0 3.0
   45    48    70    64  -0.43950  1.0 1.0
   45    48    70    64  -0.08100 -1.0 2.0
   45    48    70    64   0.03350  1.0 3.0
   45    48    70    71   0.00000  1.0 1.0
   45    48    70    72   0.00000  1.0 1.0
   46    45    48    51   3.04450 -1.0 2.0
   46    45    48    70   3.04450 -1.0 2.0
   48    51    56    57   0.15000  1.0 3.0
   48    51    56    58   0.15000  1.0 3.0
   48    51    56    60   0.43900  1.0 1.0
   48    51    56    60   0.49100 -1.0 2.0
   48    51    56    60   0.28400  1.0 3.0
   51    48    70    64  -0.05900 -1.0 2.0
   51    48    70    71   0.00000  1.0 1.0
   51    48    70    72   0.00000  1.0 1.0
   51    56    60    61   0.15000  1.0 3.0
   51    56    60    62   0.15000  1.0 3.0
   51    56   -60    64   0.56750  1.0 1.0
   51    56   -60    64  -0.07550 -1.0 2.0
   51    56   -60    64   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    60   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    60   0.15000  1.0 3.0
   56    60    64    65   0.15000  1.0 3.0
   56    60    64    66   0.15000  1.0 3.0
   56    60    64    70   0.56750  1.0 1.0
   56    60    64    70  -0.07550 -1.0 2.0
   56    60    64    70   0.20000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    64   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    64   0.15000  1.0 3.0
   60    64   -70    48   0.43900  1.0 1.0
   60    64   -70    48   0.49100 -1.0 2.0
   60    64   -70    48   0.28400  1.0 3.0
   60    64    70    71   0.15000  1.0 3.0
   60    64    70    72   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    70   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    70   0.15000  1.0 3.0
   65    64    70    48   0.15000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   66    64    70    48   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   70    48    51    52   0.00000  1.0 1.0
   70    48    51    53   0.00000  1.0 1.0
   70    48   -51    56  -0.05900 -1.0 2.0
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
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   49    67    47    43   4.00000 -1.0 2.0
   54    50    49    47   1.10000 -1.0 2.0
   59    55    54    49   1.10000 -1.0 2.0
   63    76    59    54   4.00000 -1.0 2.0
   67    69    63    59   4.00000 -1.0 2.0
   63    68    67    47   1.10000 -1.0 2.0
   40    48    45    46  10.50000 -1.0 2.0
   70    45    48    51   1.00000 -1.0 2.0
END
