* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    148    239     426
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02106    36.36763   132.34027
    3     1 S   H    _H1_     3     1.02091    79.53472   -84.56289
    4     1 S   H    _H2_     4     1.02081    99.05751    22.97230
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C11    36     1.84545    97.33447  -178.14238
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C9_    37     1.52269   108.10701   -60.00079
   38    33 S   S    _S1_    62     1.82461   108.46952    63.60726
   39    37 S   N4   _N4_    38     1.36282   107.73410   -94.47430
   40    37 S   CMA  _C10    59     1.33969   129.12812    89.91127
   41    40 S   OM   _O34    60     1.38881   118.84482   179.95577
   42    40 S   OM   _O35    61     1.38928   118.80159    -0.03426
   43    38 S   CT   _C12    63     1.81070    98.00622    59.78760
   44    43 S   HC   _H6_    64     1.13556   105.98794    40.36177
   45    39 S   C4   _C8_    39     1.35025   133.47652  -134.30965
   46    45 S   O    _O33    40     1.20883   133.81037   -36.90236
   47    39 S   C4T  _C6_    43     1.46072   114.54585    -3.13213
   48    47 S   HC   _H4_    44     1.09936   110.82428   101.07147
   49    43 S   CT   _C13    65     1.55687   112.47456   159.99623
   50    49 S   HC   _H11    66     1.09258   111.12381  -100.58491
   51    49 S   HC   _H12    67     1.09064   115.81539    27.57251
   52    43 S   CT   _C16    75     1.56276   112.46221   -79.15837
   53    52 S   HC   _H15    76     1.09152   114.86983   -25.84516
   54    52 S   HC   _H16    77     1.09386   110.49884    99.36017
   55    45 S   C4T  _C7_    41     1.55268    89.84857   137.16279
   56    55 S   HC   _H5_    42     1.09982   110.89000  -112.81349
   57    33 S   CT   _C5_    45     1.57565   110.17737  -170.70811
   58    57 S   HC   _H3_    46     1.08462   111.48860   -33.52094
   59    49 S   N5P  _N5_    68     1.44402   101.18305   146.52388
   60    57 S   CT   _C4_    47     1.53204   116.28292  -155.96947
   61    60 S   HC   _H8_    48     1.08853   109.76218   -55.01100
   62    60 S   HC   _H9_    49     1.08811   109.78029  -174.96678
   63    60 S   HC   _H10    50     1.08786   109.78651    65.00070
   64    55 S   CT   _C17    51     1.50724   114.70649   123.83547
   65    64 S   HC   _H7_    52     1.09982   110.16968    59.96250
   66    59 S   C5X  _C14    69     1.35525   138.74924   164.02265
   67    66 S   HA   _H13    70     1.07999   124.72859     1.42958
   68    64 S   CT   _C18    53     1.52617   112.35312  -178.43277
   69    68 S   HC   _H17    54     1.09383   111.05098    57.70818
   70    68 S   HC   _H18    55     1.09542   110.83795   -63.23216
   71    68 S   HC   _H19    56     1.09578   110.85225   178.58667
   72    64 S   OH   _O36    57     1.42901   109.72471   -57.37791
   73    72 S   HO   _H20    58     0.96839   106.38342   180.00000
   74    66 S   N5B  _N6_    71     1.34947   109.08390  -178.85517
   75    74 S   C5X  _C15    72     1.41756   106.25390     0.31216
   76    75 S   HA   _H14    73     1.07752   123.50448  -179.59603
   77    59 S   N5P  _N7_    74     1.40002   111.61604   -14.54396
  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
  20   2   1   1  14  16  13   5   1   1  12   8  10   4  13   6
  11   5   4   8   4   3  12   5   6   4   6   3   2   1   1   7
   6   5   3   5   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    47    57    58    60    40    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    45    55    47    48    57    58    60    61    62    63    40    41    42    38    43    44    49    52  
   35    36  
   36  
    0  
   39    45    46    55    47    48    57    58    60    40    41    42    38    43  
   43    44    49    50    51    59    77    52    53    54    39    40    47    57    58    60  
   45    46    55    56    47    48    57    58    60    64    40    41    42  
   41    42    45    47    57  
   42  
    0  
   44    49    50    51    59    66    75    77    52    53    54    57  
   49    50    51    59    77    52    53    54  
   46    55    56    47    48    57    64    65    68    72  
   55    56    47    64  
   48    57    58    60    61    62    63    64    65    68    72    55    56  
   57    58    60    64    55    56  
   50    51    59    66    67    74    75    77    52    53    54  
   51    59    66    77    52  
   59    66    77    52  
   53    54    59    66    74    75    76    77  
   54    59    75    77  
   59    75    77  
   56    57    58    60    64    65    68    69    70    71    72    73  
   57    64    65    68    72  
   58    60    61    62    63    64  
   60    61    62    63  
   66    67    74    75    76    77  
   61    62    63  
   62    63  
   63  
    0  
   65    68    69    70    71    72    73  
   68    69    70    71    72    73  
   67    74    75    76    77  
   74    75    77  
   69    70    71    72    73  
   70    71    72  
   71    72  
   72  
   73  
    0  
   75    76    77  
   76    77  
   77  
    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   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   39   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.2500   0.1700   0.000900   1.8000   1.6000   0.001000000  -0.511443539
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.470000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.164900   1.3810   1.2100   0.030040813   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.2800   0.1700  -0.516500   1.8000   1.6000   0.001000000  -0.511443539
   75   3.5500   0.0700   0.470200   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.165000   1.3810   1.2100   0.030040813   0.268726247
   77   3.2500   0.1700   0.000500   1.9750   1.7500   0.001000000  -0.511443539
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   268.000  1.529
   33    38   222.000  1.810
   37    39   400.000  1.384
   37    40   465.000  1.376
   39    45   440.000  1.369
   39    47   305.000  1.456
   45    46   930.000  1.212
   45    55   250.000  1.540
   55    56   340.000  1.090
   55    47   268.000  1.529
   55    64   260.000  1.519
   47    48   340.000  1.090
   47    57   260.000  1.519
   57    58   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    72   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   40    41   745.000  1.250
   40    42   745.000  1.250
   38    43   222.000  1.810
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    59   300.000  1.456
   59    66   455.000  1.369
   59    77   275.000  1.382
   66    67   367.000  1.080
   66    74   580.000  1.314
   74    75   580.000  1.314
   75    76   367.000  1.080
   75    77   455.000  1.369
   77    52   300.000  1.456
   52    53   340.000  1.090
   52    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    57    75.00000  111.63000
   29    33    38    75.00000  118.28000
   33    37    39    70.00000  113.82800
   33    37    40    70.00000  124.00000
   33    57    47    70.00000  112.98000
   33    57    58    37.50000  110.70000
   33    57    60    58.35000  112.70000
   33    38    43    62.00000   98.90000
   37    39    45    50.00000  132.10000
   37    39    47    50.00000  132.70000
   37    40    41    65.00000  137.10300
   37    40    42    65.00000  137.10300
   39    45    46    75.00000  131.60000
   39    45    55    95.00000   92.72400
   39    47    55   105.00000   87.49700
   39    47    48    50.00000  112.01000
   39    47    57    80.00000  110.05700
   45    55    56    40.00000  113.37500
   45    55    47   100.00000   86.36000
   45    55    64    63.00000  111.10000
   55    45    46    60.00000  136.58000
   55    47    48    37.50000  110.70000
   55    47    57    65.00000  119.52000
   55    64    65    45.00000  111.22300
   55    64    68    70.00000  112.98000
   55    64    72    50.00000  109.50000
   47    39    45   100.00000   93.00000
   47    55    56    37.50000  110.70000
   47    57    58    45.00000  111.22300
   47    57    60    70.00000  112.98000
   57    33    37    70.00000  112.02700
   57    47    48    45.00000  112.72800
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    37.50000  110.70000
   60    57    58    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    55    56    45.00000  112.72800
   64    55    47    65.00000  119.52000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   64    72    73    55.00000  108.50000
   68    64    65    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
   72    64    65    35.00000  109.50000
   72    64    68    50.00000  109.50000
   40    37    39    75.00000  120.83300
   42    40    41    65.00000  121.00000
   38    33    37    75.00000  112.20000
   38    33    57    75.00000  111.63000
   38    43    44    35.00000  109.50000
   38    43    49    75.00000  111.63000
   38    43    52    75.00000  111.63000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    59    75.00000  111.19500
   43    52    77    75.00000  111.19500
   43    52    53    37.50000  110.70000
   43    52    54    37.50000  110.70000
   49    43    44    37.50000  110.70000
   49    59    66    60.00000  126.76000
   49    59    77    75.00000  116.00000
   51    49    50    33.00000  107.80000
   59    49    50    50.00000  107.70000
   59    49    51    50.00000  107.70000
   59    66    67    40.00000  122.05800
   59    66    74    95.00000  110.94000
   59    77    75    80.00000  120.70000
   59    77    52    75.00000  116.00000
   66    74    75    90.00000  108.12000
   74    66    67    40.00000  126.34000
   74    75    76    40.00000  126.34000
   74    75    77    95.00000  110.94000
   75    77    52    60.00000  126.76000
   77    59    66    80.00000  120.70000
   77    75    76    40.00000  122.05800
   77    52    53    50.00000  107.70000
   77    52    54    50.00000  107.70000
   52    43    44    37.50000  110.70000
   52    43    49    58.35000  112.70000
   54    52    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    38   0.08500  1.0 1.0
   24    29    33    38  -0.53150 -1.0 2.0
   24    29    33    38   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    39   0.09700  1.0 1.0
   29    33    37    39   0.15600 -1.0 2.0
   29    33    37    39  -0.50800  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    57    47   0.44750  1.0 1.0
   29    33    57    47  -0.17800 -1.0 2.0
   29    33    57    47   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    60   0.44750  1.0 1.0
   29    33    57    60  -0.17800 -1.0 2.0
   29    33    57    60   0.20200  1.0 3.0
   29    33    38    43   0.08500  1.0 1.0
   29    33    38    43  -0.53150 -1.0 2.0
   29    33    38    43   0.48050  1.0 3.0
   33    37    39    45   0.00000  1.0 1.0
   33    37   -39    47   0.00000  1.0 1.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    57    60    61   0.15000  1.0 3.0
   33    57    60    62   0.15000  1.0 3.0
   33    57    60    63   0.15000  1.0 3.0
   33    38    43    44   0.32350  1.0 3.0
   33    38    43    49   0.01700  1.0 1.0
   33    38    43    49  -0.23550 -1.0 2.0
   33    38    43    49   0.21350  1.0 3.0
   33    38    43    52   0.01700  1.0 1.0
   33    38    43    52  -0.23550 -1.0 2.0
   33    38    43    52   0.21350  1.0 3.0
   37    33   -57    47   0.34400  1.0 1.0
   37    33   -57    47   0.09450 -1.0 2.0
   37    33   -57    47   0.11100  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    60   0.34400  1.0 1.0
   37    33    57    60   0.09450 -1.0 2.0
   37    33    57    60   0.11100  1.0 3.0
   37    33    38    43  -0.62250  1.0 1.0
   37    33    38    43  -0.38450 -1.0 2.0
   37    33    38    43   0.81900  1.0 3.0
   37    39    45    46   3.00000 -1.0 2.0
   37    39    45    55   3.00000 -1.0 2.0
   37    39   -47    55   0.00000  1.0 1.0
   37    39    47    48   0.00000  1.0 1.0
   37    39   -47    57   0.00000  1.0 1.0
   39    37    40    41   7.00000 -1.0 2.0
   39    37    40    42   7.00000 -1.0 2.0
   39    45    55    56   0.00000  1.0 1.0
   39    45   -55    47   3.00000 -1.0 2.0
   39    45    55    64   1.39750  1.0 1.0
   39    45    55    64  -0.07950 -1.0 2.0
   39    45    55    64  -0.18750  1.0 3.0
   39    47   -57    33   0.43900  1.0 1.0
   39    47   -57    33   0.49100 -1.0 2.0
   39    47   -57    33   0.28400  1.0 3.0
   39    47    57    58   0.15000  1.0 3.0
   39    47    57    60   0.43900  1.0 1.0
   39    47    57    60   0.49100 -1.0 2.0
   39    47    57    60   0.28400  1.0 3.0
   45    39   -47    55   0.00000  1.0 1.0
   45    39    47    48   0.00000  1.0 1.0
   45    39    47    57   0.00000  1.0 1.0
   45    55   -47    39   3.00000 -1.0 2.0
   45    55   -47    48   0.15000  1.0 3.0
   45    55   -47    57  -0.95700  1.0 1.0
   45    55   -47    57  -0.18200 -1.0 2.0
   45    55   -47    57   0.29450  1.0 3.0
   45    55    64    65  -0.11250  1.0 3.0
   45    55    64    68  -0.95700  1.0 1.0
   45    55    64    68  -0.18200 -1.0 2.0
   45    55    64    68   0.29450  1.0 3.0
   45    55    64    72  -0.09450  1.0 1.0
   45    55    64    72  -1.12950 -1.0 2.0
   45    55    64    72   0.54000  1.0 3.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    47  -0.11250  1.0 1.0
   46    45    55    47   0.11400 -1.0 2.0
   46    45    55    47  -0.28950  1.0 3.0
   46    45    55    64   0.30150 -1.0 2.0
   55    47    57    33   0.04050  1.0 1.0
   55    47    57    33   0.63700 -1.0 2.0
   55    47    57    33   0.17650  1.0 3.0
   55    47    57    58   0.00000  1.0 1.0
   55    47    57    60   0.04050  1.0 1.0
   55    47    57    60   0.63700 -1.0 2.0
   55    47    57    60   0.17650  1.0 3.0
   55    64    68    69   0.15000  1.0 3.0
   55    64    68    70   0.15000  1.0 3.0
   55    64    68    71   0.15000  1.0 3.0
   55    64    72    73  -0.11600  1.0 1.0
   55    64    72    73  -0.09450 -1.0 2.0
   55    64    72    73   0.21250  1.0 3.0
   56    55   -47    39   0.15000  1.0 3.0
   56    55    47    48   0.15000  1.0 3.0
   56    55    47    57   0.15000  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    68   0.15000  1.0 3.0
   56    55    64    72   0.23400  1.0 3.0
   47    39   -45    46   3.00000 -1.0 2.0
   47    39   -45    55   3.00000 -1.0 2.0
   47    55    64    65   0.00000  1.0 1.0
   47    55    64    68   0.04050  1.0 1.0
   47    55    64    68   0.63700 -1.0 2.0
   47    55    64    68   0.17650  1.0 3.0
   47    55    64    72   0.86500  1.0 1.0
   47    55    64    72  -0.17500 -1.0 2.0
   47    55    64    72   0.20800  1.0 3.0
   47    57    60    61   0.15000  1.0 3.0
   47    57    60    62   0.15000  1.0 3.0
   47    57    60    63   0.15000  1.0 3.0
   48    47    57    33   0.15000  1.0 3.0
   48    47    57    58   0.15000  1.0 3.0
   48    47    57    60   0.15000  1.0 3.0
   57    33   -37    39  -0.93550  1.0 1.0
   57    33   -37    39   0.38900 -1.0 2.0
   57    33   -37    39   0.16950  1.0 3.0
   57    33    37    40   0.09850  1.0 1.0
   57    33    37    40   0.15250 -1.0 2.0
   57    33    37    40  -0.50650  1.0 3.0
   57    33    38    43   0.01700  1.0 1.0
   57    33    38    43  -0.23550 -1.0 2.0
   57    33    38    43   0.21350  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   64    55   -47    39   0.43900  1.0 1.0
   64    55   -47    39   0.49100 -1.0 2.0
   64    55   -47    39   0.28400  1.0 3.0
   64    55    47    48   0.15000  1.0 3.0
   64    55    47    57   0.56750  1.0 1.0
   64    55    47    57  -0.07550 -1.0 2.0
   64    55    47    57   0.20000  1.0 3.0
   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
   65    64    72    73   0.19450  1.0 3.0
   68    64    72    73  -0.11600  1.0 1.0
   68    64    72    73  -0.09450 -1.0 2.0
   68    64    72    73   0.21250  1.0 3.0
   72    64    68    69   0.23400  1.0 3.0
   72    64    68    70   0.23400  1.0 3.0
   72    64    68    71   0.23400  1.0 3.0
   40    37    39    45   0.00000  1.0 1.0
   40    37    39    47   0.00000  1.0 1.0
   38    33    37    39   0.09700  1.0 1.0
   38    33    37    39   0.15600 -1.0 2.0
   38    33    37    39  -0.50800  1.0 3.0
   38    33    37    40   0.42700  1.0 1.0
   38    33    37    40  -0.70350 -1.0 2.0
   38    33    37    40  -0.43150  1.0 3.0
   38    33    57    47   0.44750  1.0 1.0
   38    33    57    47  -0.17800 -1.0 2.0
   38    33    57    47   0.20200  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    60   0.44750  1.0 1.0
   38    33    57    60  -0.17800 -1.0 2.0
   38    33    57    60   0.20200  1.0 3.0
   38    43    49    50   0.15000  1.0 3.0
   38    43    49    51   0.15000  1.0 3.0
   38    43    49    59   0.56750  1.0 1.0
   38    43    49    59  -0.07550 -1.0 2.0
   38    43    49    59   0.20000  1.0 3.0
   38    43    52    77   0.56750  1.0 1.0
   38    43    52    77  -0.07550 -1.0 2.0
   38    43    52    77   0.20000  1.0 3.0
   38    43    52    53   0.15000  1.0 3.0
   38    43    52    54   0.15000  1.0 3.0
   43    49    59    66   1.10250  1.0 1.0
   43    49    59    66   0.01650 -1.0 2.0
   43    49    59    66   0.39100  1.0 3.0
   43    49   -59    77   0.68100  1.0 1.0
   43    49   -59    77   0.03350 -1.0 2.0
   43    49   -59    77   0.36200  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    59   0.15000  1.0 3.0
   44    43    52    77   0.15000  1.0 3.0
   44    43    52    53   0.15000  1.0 3.0
   44    43    52    54   0.15000  1.0 3.0
   49    43   -52    77  -0.64600  1.0 1.0
   49    43   -52    77   0.58400 -1.0 2.0
   49    43    52    53   0.15000  1.0 3.0
   49    43    52    54   0.15000  1.0 3.0
   49    59    66    67   3.62500 -1.0 2.0
   49    59    66    74   3.62500 -1.0 2.0
   49    59    77    75   3.62500 -1.0 2.0
   49    59   -77    52   3.62500 -1.0 2.0
   50    49    59    66   0.00000  1.0 1.0
   50    49    59    77   0.00000  1.0 1.0
   51    49    59    66   0.00000  1.0 1.0
   51    49    59    77   0.00000  1.0 1.0
   59    66   -74    75   3.62500 -1.0 2.0
   59    77   -52    43   0.68100  1.0 1.0
   59    77   -52    43   0.03350 -1.0 2.0
   59    77   -52    43   0.36200  1.0 3.0
   59    77    52    53   0.00000  1.0 1.0
   59    77    52    54   0.00000  1.0 1.0
   66    59   -77    75   3.62500 -1.0 2.0
   66    59    77    52   3.62500 -1.0 2.0
   66    74    75    76   3.62500 -1.0 2.0
   66    74   -75    77   3.62500 -1.0 2.0
   67    66    74    75   3.62500 -1.0 2.0
   74    75   -77    59   3.62500 -1.0 2.0
   74    75    77    52   3.62500 -1.0 2.0
   75    77    52    43   1.10250  1.0 1.0
   75    77    52    43   0.01650 -1.0 2.0
   75    77    52    43   0.39100  1.0 3.0
   75    77    52    53   0.00000  1.0 1.0
   75    77    52    54   0.00000  1.0 1.0
   76    75    77    59   3.62500 -1.0 2.0
   76    75    77    52   3.62500 -1.0 2.0
   77    59    66    67   3.62500 -1.0 2.0
   77    59   -66    74   3.62500 -1.0 2.0
   52    43    49    50   0.15000  1.0 3.0
   52    43    49    51   0.15000  1.0 3.0
   52    43   -49    59  -0.64600  1.0 1.0
   52    43   -49    59   0.58400 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    39    37    40   1.10000 -1.0 2.0
   47    45    39    37   1.00000 -1.0 2.0
   39    55    45    46  10.50000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
   66    77    59    49   4.00000 -1.0 2.0
   74    67    66    59   1.10000 -1.0 2.0
   77    76    75    74   1.10000 -1.0 2.0
   75    52    77    59   4.00000 -1.0 2.0
END
