* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    139    206     400
    1     0 S   NP   _N1_     1    29.04691    94.04249   -19.54872
    2     1 S   H    _HN1     2     1.02960   106.69833    44.02217
    3     1 S   H    _H1_     3     1.02844    33.21698   139.84830
    4     1 S   H    _H2_     4     1.02787    76.79316   -61.38689
    5     1 S   CT   _CA1     5     1.50043   135.68773  -169.76401
    6     5 S   HC   _HA1     6     1.09568   105.36937    32.52331
    7     5 S   CO3  _C1_     7     1.53981   112.26396   -87.92776
    8     7 S   O2Z  _O11     8     1.26358   115.09156   -47.97669
    9     7 S   O2Z  _O12     9     1.26248   114.92728   131.53085
   10     5 S   CT   _CB1    10     1.53150   107.47709   150.54134
   11    10 S   HC   HB11    11     1.09805   109.80251   -50.05889
   12    10 S   HC   HB12    12     1.09840   110.20286    66.57596
   13    10 S   CT   _CG1    13     1.52992   112.43577  -171.22282
   14    13 S   HC   HG11    14     1.09341   109.94753   -52.18962
   15    13 S   HC   HG12    15     1.09568   110.55313    66.74608
   16    13 S   C    _CD1    16     1.51661   111.64591  -172.85933
   17    16 S   O    _OE1    17     1.22757   122.81573   -29.74520
   18    16 S   N    _N2_    18     1.38560   112.02118   150.80013
   19    18 S   H    _HN2    19     1.01428   119.14771     3.31930
   20    18 S   CT1  _CA2    20     1.46143   123.46898  -174.45214
   21    20 S   HC   _HA2    21     1.09718   109.36815   -15.62068
   22    20 S   C    _C2_    22     1.53234   107.58643  -131.51976
   23    22 S   O    _O2_    23     1.22957   122.52373  -140.99246
   24    20 S   CT   _CB2    32     1.53642   111.49132   106.29663
   25    24 S   HC   HB21    33     1.09573   109.91265    59.43358
   26    24 S   HC   HB22    34     1.09516   110.15974   178.42331
   27    22 S   N    _N3_    24     1.38657   113.13648    45.63443
   28    27 S   H    _HN3    25     1.01534   118.95541    -5.71992
   29    24 S   S    _SG2    35     1.82566   111.57120   -61.17050
   30    27 S   CT   _CA3    26     1.45446   122.99261   178.30858
   31    30 S   HC   HA31    27     1.09459   107.38539  -157.82049
   32    30 S   HC   HA32    28     1.09552   108.37338   -40.83503
   33    29 S   CT   _C19    36     1.83132    99.67505   180.00000
   34    33 S   F    F1__    37     1.36403   109.25534   -44.57994
   35    33 S   F    F2__    38     1.36629   107.91767    68.65298
   36    30 S   CO3  _C3_    29     1.52716   113.54636    81.87046
   37    36 S   O2Z  _O31    30     1.26490   115.99062    37.27725
   38    36 S   O2Z  _O32    31     1.26325   115.24635  -141.64811
   39    33 S   CA   _C18    39     1.51364   109.65689  -168.75892
   40    39 S   CA   _C17    40     1.40527   119.22824   -91.49045
   41    40 S   HA   _H22    41     1.08787   120.30638    -1.40221
   42    40 S   CA   _C16    42     1.39541   120.87180   178.34460
   43    42 S   HA   _H21    43     1.08631   119.96249   179.90721
   44    42 S   CA   _C15    44     1.39188   120.01808     0.12820
   45    44 S   HA   _H20    45     1.08628   120.00891   179.26778
   46    44 S   CA   _C14    46     1.39392   120.00752    -0.26834
   47    46 S   HA   _H19    47     1.08605   118.85763   178.25056
   48    39 S   CA   _C13    48     1.40671   122.24134    85.84311
   49    48 S   OS   _O34    49     1.37109   118.47311     5.07744
   50    49 S   CT   _C12    50     1.43294   113.65155  -125.55544
   51    50 S   HC   _H17    51     1.09698   110.30965    52.65066
   52    50 S   HC   _H18    52     1.09535   110.45486   -68.30691
   53    50 S   CT   _C11    53     1.52722   108.22215   173.20540
   54    53 S   HC   _H15    54     1.09740   109.53967    58.67341
   55    53 S   HC   _H16    55     1.09620   110.11966   175.43258
   56    53 S   CT   _C10    56     1.52656   112.47865   -62.09627
   57    56 S   HC   _H13    57     1.09541   109.89880    53.58063
   58    56 S   HC   _H14    58     1.09569   109.87046   -65.77859
   59    56 S   OS   _O33    59     1.43684   108.24811   174.95116
   60    59 S   CA   _C7_    60     1.36980   110.25364  -163.20619
   61    60 S   CA   _C6_    61     1.39645   120.19569   -97.97874
   62    61 S   NAP  _N5_    62     1.34373   118.13004   179.39997
   63    62 S   H    _H8_    63     1.02278   119.82552  -177.63553
   64    61 S   CT   _C5_    73     1.49772   124.35212    -2.15686
   65    64 S   HC   _H6_    74     1.09393   110.81665    22.57663
   66    64 S   HC   _H7_    75     1.09574   109.25847   139.39363
   67    62 S   CQ   _C9_    64     1.34298   121.50377     1.45064
   68    64 S   CT   _C4_    76     1.52034   111.41555   -99.42336
   69    68 S   HC   _H3_    77     1.09535   111.31057   -60.02274
   70    68 S   HC   _H4_    78     1.09458   110.22510  -179.88465
   71    68 S   HC   _H5_    79     1.09535   111.17403    60.26657
   72    67 S   NB   _N4_    65     1.35836   122.51317     0.73887
   73    67 S   NE   _N6_    70     1.37881   117.78380  -179.57942
   74    73 S   H    _H9_    71     1.01068   118.85389   178.63714
   75    73 S   H    _H10    72     1.01241   121.87186     3.27249
   76    60 S   CA   _C8_    66     1.39603   120.88185    85.28689
   77    76 S   NE   _N7_    67     1.39016   120.44674    -1.88513
   78    77 S   H    _H11    68     1.01212   118.84486    27.03811
   79    77 S   H    _H12    69     1.01178   117.46261  -179.31700
  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   6   5   4   3
   9   4   3   2   1   1  10   8   4   6   3   5   3   4   2   5
   7   9   5   4   7   5   4   6   3   2   7  13  14  11   4   8
   5   4   6   3   2   1   1   7   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    48    49    50  
   41    42    43    44    45    46    48    49  
   42    43    44    48  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49  
   46    47    48  
   47    48    49    50  
   48    49  
   49    50    51    52    53  
   50    51    52    53    54    55    56  
   51    52    53    54    55    56    57    58    59  
   52    53    54    55    56  
   53    54    55    56  
   54    55    56    57    58    59    60  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    61    76  
   58    59    60  
   59    60  
   60    61    62    72    76    77    64  
   61    62    63    67    72    76    77    78    79    64    65    66    68  
   62    63    67    72    76    77    73    64    65    66    68    69    70    71  
   63    67    72    76    73    74    75    64    65    66    68  
   67    72    73    64  
   65    66    68    69    70    71    67    76  
   66    68    69    70    71  
   68    69    70    71  
   72    76    77    73    74    75  
   69    70    71  
   70    71  
   71  
    0  
   76    77    78    79    73    74    75  
   74    75    76  
   75  
    0  
   77    78    79  
   78    79  
   79  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0700  -0.278800   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.532000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.2500   0.1700  -1.134900   1.9750   1.7500   0.001000000  -0.511443539
   63   0.0000   0.0000   0.431900   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.005000   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   1.021200   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.2800   0.1700  -0.709200   1.8650   1.6500   0.001000000  -0.511443539
   73   3.3000   0.1700  -0.420000   1.8650   1.6500   0.051222218  -2.220205820
   74   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700   1.022800   2.0020   1.7750   0.001000000  -0.843144165
   77   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   78   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    48   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   450.000  1.364
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   320.000  1.410
   59    60   450.000  1.364
   60    61   469.000  1.400
   60    76   469.000  1.400
   61    62   485.000  1.342
   61    64   317.000  1.510
   62    63   475.000  1.020
   62    67   535.000  1.326
   67    72   502.000  1.324
   67    73   410.000  1.375
   72    76   483.000  1.339
   76    77   481.000  1.340
   77    78   434.000  1.010
   77    79   434.000  1.010
   73    74   434.000  1.010
   73    75   434.000  1.010
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    48    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    48    46    63.00000  120.00000
   39    48    49    70.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    46    63.00000  120.00000
   44    42    43    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  120.00000
   48    39    40    63.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    50    75.00000  111.00000
   49    50    51    35.00000  109.50000
   49    50    52    35.00000  109.50000
   49    50    53    50.00000  109.50000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    75.00000  111.00000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    60    61    70.00000  120.00000
   59    60    76    70.00000  120.00000
   60    61    62    70.00000  119.29800
   60    61    64    70.00000  120.00000
   60    76    72    70.00000  124.00000
   60    76    77    70.00000  120.10000
   61    62    63    45.00000  117.56800
   61    62    67    80.00000  116.44700
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    68    70.00000  112.17500
   62    67    72    80.00000  118.80000
   62    67    73    85.00000  116.09700
   67    62    63    45.00000  118.71300
   67    72    76    70.00000  118.60000
   67    73    74    50.00000  113.31100
   67    73    75    50.00000  113.31100
   72    76    77    80.00000  117.25000
   76    60    61    63.00000  120.00000
   76    77    78    35.00000  113.50000
   76    77    79    35.00000  113.50000
   79    77    78    35.00000  109.00000
   73    67    72    85.00000  116.09700
   75    73    74    35.00000  109.00000
   64    61    62    70.00000  116.21300
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    48  -0.16000  1.0 1.0
   29    33    39    48  -0.03200 -1.0 2.0
   29    33    39    48   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    48    46   3.62500 -1.0 2.0
   33    39    48    49   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   39    48    49    50   1.63200 -1.0 2.0
   40    39    48    46   3.62500 -1.0 2.0
   40    39    48    49   3.62500 -1.0 2.0
   40    42    44    45   3.62500 -1.0 2.0
   40    42   -44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    46    47   3.62500 -1.0 2.0
   42    44    46    48   3.62500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    46   -48    39   3.62500 -1.0 2.0
   44    46    48    49   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   1.63200 -1.0 2.0
   47    46    48    39   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   48    39    40    41   3.62500 -1.0 2.0
   48    39   -40    42   3.62500 -1.0 2.0
   48    49    50    51   0.08050  1.0 3.0
   48    49    50    52   0.08050  1.0 3.0
   48    49    50    53  -0.32850  1.0 1.0
   48    49    50    53  -0.35800 -1.0 2.0
   48    49    50    53   0.33950  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    56   0.62750  1.0 1.0
   49    50    53    56  -0.30950 -1.0 2.0
   49    50    53    56   0.27300  1.0 3.0
   50    53    56    57   0.15000  1.0 3.0
   50    53    56    58   0.15000  1.0 3.0
   50    53    56    59   0.62750  1.0 1.0
   50    53    56    59  -0.30950 -1.0 2.0
   50    53    56    59   0.27300  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   53    56    59    60  -0.32850  1.0 1.0
   53    56    59    60  -0.35800 -1.0 2.0
   53    56    59    60   0.33950  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.23400  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.23400  1.0 3.0
   56    59    60    61   1.63200 -1.0 2.0
   56    59    60    76   1.63200 -1.0 2.0
   57    56    59    60   0.08050  1.0 3.0
   58    56    59    60   0.08050  1.0 3.0
   59    60    61    62   3.62500 -1.0 2.0
   59    60    61    64   3.62500 -1.0 2.0
   59    60    76    72   3.62500 -1.0 2.0
   59    60    76    77   3.62500 -1.0 2.0
   60    61    62    63   3.62500 -1.0 2.0
   60    61    62    67   3.62500 -1.0 2.0
   60    61    64    65   0.00000  1.0 1.0
   60    61    64    66   0.00000  1.0 1.0
   60    61    64    68   0.04150 -1.0 2.0
   60    76    77    78   1.00000 -1.0 2.0
   60    76    77    79   1.00000 -1.0 2.0
   61    60    76    72   3.62500 -1.0 2.0
   61    60    76    77   3.62500 -1.0 2.0
   61    62   -67    72   3.62500 -1.0 2.0
   61    62    67    73   3.62500 -1.0 2.0
   61    64    68    69   0.43200  1.0 3.0
   61    64    68    70   0.43200  1.0 3.0
   61    64    68    71   0.43200  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    66   0.00000  1.0 1.0
   62    61    64    68   0.29300  1.0 1.0
   62    61    64    68  -1.19700 -1.0 2.0
   62    61    64    68   0.60900  1.0 3.0
   62    67    72    76   3.62500 -1.0 2.0
   62    67    73    74   1.75000 -1.0 2.0
   62    67    73    75   1.75000 -1.0 2.0
   63    62    67    72   3.62500 -1.0 2.0
   63    62    67    73   3.62500 -1.0 2.0
   67    72   -76    60   3.62500 -1.0 2.0
   67    72    76    77   3.62500 -1.0 2.0
   72    67    73    74   1.75000 -1.0 2.0
   72    67    73    75   1.75000 -1.0 2.0
   72    76    77    78   1.75000 -1.0 2.0
   72    76    77    79   1.75000 -1.0 2.0
   76    60   -61    62   3.62500 -1.0 2.0
   76    60    61    64   3.62500 -1.0 2.0
   73    67    72    76   3.62500 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    67   3.62500 -1.0 2.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    70   0.15000  1.0 3.0
   66    64    68    71   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   40    48    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   46    49    48    39   4.00000 -1.0 2.0
   61    76    60    59   4.00000 -1.0 2.0
   64    62    61    60   4.00000 -1.0 2.0
   63    61    62    67   1.00000 -1.0 2.0
   72    73    67    62   4.00000 -1.0 2.0
   72    77    76    60   4.00000 -1.0 2.0
   79    76    77    78   1.00000 -1.0 2.0
   75    67    73    74   1.00000 -1.0 2.0
END
