* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    144    235     432
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02042    94.39125    32.70298
    3     1 S   H    _H1_     3     1.02128    33.58311   150.35684
    4     1 S   H    _H2_     4     1.02081    85.71512   -75.74945
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   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   _C10    36     1.82735    97.99096  -178.17222
   34    33 S   HC   _H7_    37     1.09504   106.27100   -41.50103
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C9_    38     1.54392   110.56114    80.01570
   39    38 S   HC   _H6_    39     1.09557   115.01833   -21.21016
   40    33 S   CT   _C11    50     1.54680   110.41666  -163.80049
   41    40 S   HC   _H8_    51     1.09759   112.42189    -7.65373
   42    38 S   CT   _C8_    40     1.53771   111.39990  -148.87589
   43    42 S   HC   _H14    41     1.09835   109.48315    68.12760
   44    42 S   HC   _H15    42     1.09657   110.52668  -177.08751
   45    40 S   OH   _O33    52     1.41766   111.27858   112.76003
   46    45 S   HO   _H16    53     0.97222   106.96519   -62.60974
   47    42 S   CT   _C7_    43     1.53388   112.97503   -53.13277
   48    47 S   HC   _H5_    44     1.09628   109.21844    80.88520
   49    47 S   CT   _C6_    45     1.53293   112.86180   -40.33102
   50    49 S   HC   _H12    46     1.09712   109.89277   -83.89095
   51    49 S   HC   _H13    47     1.09774   108.91847   162.39234
   52    47 S   OS   _O34    60     1.42406   110.01993  -162.36260
   53    49 S   CT   _C5_    48     1.53570   113.26234    39.66877
   54    53 S   HC   _H4_    49     1.09522   111.54025  -176.43256
   55    52 S   CO4  _C12    61     1.36544   115.94824   -88.28946
   56    55 S   O    _O35    62     1.22264   125.61208    -0.03426
   57    38 S   NP   _N4_    54     1.51754   101.60673    95.59006
   58    57 S   H    _H3_    55     1.02967   106.32748   -65.72518
   59    55 S   CM   _C13    63     1.49051   109.83279   179.22899
   60    57 S   CT   _C4_    56     1.49397   118.16705   177.56313
   61    60 S   HC   _H9_    57     1.09176   107.82478   -62.23092
   62    60 S   HC   _H10    58     1.09173   107.82427    57.78475
   63    60 S   HC   _H11    59     1.09128   107.83467   177.82552
   64    59 S   CA   _C15    64     1.47323   123.10619     0.74362
   65    59 S   CM   _C14    75     1.34241   117.18473   179.64173
   66    65 S   HC   _H17    76     1.08675   121.54650     1.06036
   67    65 S   HC   _H18    77     1.08543   122.40420  -179.02482
   68    64 S   CA   _C16    65     1.39488   120.01917   -91.09444
   69    68 S   HA   _H19    66     1.08794   120.86102    -0.03956
   70    68 S   CA   _C17    67     1.39487   120.03924   179.96044
   71    70 S   HA   _H20    68     1.08594   120.04044   179.87646
   72    70 S   CA   _C18    69     1.39561   119.94934     0.02798
   73    72 S   HA   _H21    70     1.08574   119.96763   179.91844
   74    72 S   CA   _C19    71     1.39488   120.01149    -0.01978
   75    74 S   HA   _H22    72     1.08564   119.97503   179.96044
   76    64 S   CA   _C20    73     1.39465   119.99467    88.82254
   77    76 S   HA   _H23    74     1.08794   120.86043     0.07133
  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
  17   8   2   1   1  19   9  13   6  13   6   5   5   1  11   6
   9   5   4   6   7   3   8   3   5   4  10   3   2   1   1  12
   4   1   1   8   4   6   3   5   3   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    42    53    40    41    45    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    47    49    53    54    40    41    45    46    57    58    60  
   38    39    42    53    40    41    45    57  
   36    37  
   37  
    0  
   39    42    43    44    47    48    49    53    54    40    41    45    57    58    60    61    62    63    52  
   42    43    44    47    53    40    57    58    60  
   41    45    46    57    58    60    42    47    49    50    51    53    54  
   45    46    57    49    53    54  
   43    44    47    48    49    50    51    53    57    58    60    52    55  
   44    47    48    49    57    52  
   47    48    49    57    52  
   46    57    49    53    54  
   53  
   48    49    50    51    53    54    57    52    55    56    59  
   49    50    51    53    52    55  
   50    51    53    54    57    58    60    52    55  
   51    53    54    57    52  
   53    54    57    52  
   55    56    59    64    65    53  
   54    57    58    60    61    62    63  
   57    58    60  
   56    59    64    68    76    65    66    67  
   59    64    65  
   58    60    61    62    63  
   60    61    62    63  
   64    68    69    70    74    76    77    65    66    67  
   61    62    63  
   62    63  
   63  
    0  
   68    69    70    71    72    74    75    76    77    65    66    67  
   66    67    68    76  
   67  
    0  
   69    70    71    72    73    74    76    77  
   70    71    72    76  
   71    72    73    74    75    76  
   72    73    74  
   73    74    75    76    77  
   74    75    76  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   58   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    57   367.000  1.471
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    40   268.000  1.529
   53    57   367.000  1.471
   40    41   340.000  1.090
   40    45   320.000  1.410
   45    46   553.000  0.945
   57    58   434.000  1.010
   57    60   367.000  1.471
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   52    55   214.000  1.327
   55    56   570.000  1.229
   55    59   320.000  1.462
   59    64   320.000  1.460
   59    65   549.000  1.340
   64    68   469.000  1.400
   64    76   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   65    66   340.000  1.080
   65    67   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    57    80.00000  111.20000
   33    40    53    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    45    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    47    58.35000  112.70000
   38    57    53    75.00000  113.01200
   38    57    58    35.00000  109.50000
   38    57    60    75.00000  113.01200
   42    38    39    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    58.35000  112.70000
   42    47    52    50.00000  109.50000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    52    55    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    40    58.35000  112.70000
   49    53    57    80.00000  111.20000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    40    41    37.50000  110.70000
   53    40    45    50.00000  109.50000
   53    57    58    35.00000  109.50000
   53    57    60    75.00000  113.01200
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    53    54    37.50000  110.70000
   40    45    46    55.00000  108.50000
   45    40    41    35.00000  109.50000
   57    38    39    35.00000  109.50000
   57    38    42    80.00000  111.20000
   57    53    54    35.00000  109.50000
   57    53    40    80.00000  111.20000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    63    35.00000  109.50000
   60    57    58    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    50.00000  109.50000
   52    55    56    83.00000  123.40000
   52    55    59    90.00000  111.29400
   55    59    64    75.00000  114.44000
   55    59    65    65.00000  118.96000
   59    55    56    80.00000  123.72100
   59    64    68    60.00000  120.93500
   59    64    76    60.00000  120.93500
   59    65    66    35.00000  120.00000
   59    65    67    35.00000  120.00000
   64    68    69    35.00000  120.00000
   64    68    70    63.00000  120.00000
   64    76    74    63.00000  120.00000
   64    76    77    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   76    64    68    63.00000  120.00000
   76    74    75    35.00000  120.00000
   65    59    64    60.00000  123.20500
   67    65    66    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    57   0.56750  1.0 1.0
   29    33    38    57  -0.07550 -1.0 2.0
   29    33    38    57   0.20000  1.0 3.0
   29    33    40    53   0.44750  1.0 1.0
   29    33    40    53  -0.17800 -1.0 2.0
   29    33    40    53   0.20200  1.0 3.0
   29    33    40    41   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    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    47   0.56750  1.0 1.0
   33    38    42    47  -0.07550 -1.0 2.0
   33    38    42    47   0.20000  1.0 3.0
   33    38   -57    53   0.47100  1.0 1.0
   33    38    57    58   0.17350  1.0 3.0
   33    38    57    60   0.47100  1.0 1.0
   33    40    45    46  -0.11600  1.0 1.0
   33    40    45    46  -0.09450 -1.0 2.0
   33    40    45    46   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    57   0.19200  1.0 3.0
   34    33    40    53   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    45   0.23400  1.0 3.0
   38    33   -40    53   0.56750  1.0 1.0
   38    33   -40    53  -0.07550 -1.0 2.0
   38    33   -40    53   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    45   0.86500  1.0 1.0
   38    33    40    45  -0.17500 -1.0 2.0
   38    33    40    45   0.20800  1.0 3.0
   38    42    47    48   0.15000  1.0 3.0
   38    42    47    49   0.56750  1.0 1.0
   38    42    47    49  -0.07550 -1.0 2.0
   38    42    47    49   0.20000  1.0 3.0
   38    42    47    52   0.62750  1.0 1.0
   38    42    47    52  -0.30950 -1.0 2.0
   38    42    47    52   0.27300  1.0 3.0
   38    57    60    61   0.15000  1.0 3.0
   38    57    60    62   0.15000  1.0 3.0
   38    57    60    63   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   39    38    57    53   0.15000  1.0 3.0
   39    38    57    58   0.13050  1.0 3.0
   39    38    57    60   0.15000  1.0 3.0
   42    38    57    53   0.47100  1.0 1.0
   42    38    57    58   0.17350  1.0 3.0
   42    38    57    60   0.47100  1.0 1.0
   42    47    49    50   0.15000  1.0 3.0
   42    47    49    51   0.15000  1.0 3.0
   42    47   -49    53   0.56750  1.0 1.0
   42    47   -49    53  -0.07550 -1.0 2.0
   42    47   -49    53   0.20000  1.0 3.0
   42    47    52    55  -0.25900  1.0 1.0
   42    47    52    55  -0.47000 -1.0 2.0
   42    47    52    55   0.11750  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    52   0.23400  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    49   0.15000  1.0 3.0
   44    42    47    52   0.23400  1.0 3.0
   47    49    53    54   0.15000  1.0 3.0
   47    49    53    40   0.56750  1.0 1.0
   47    49    53    40  -0.07550 -1.0 2.0
   47    49    53    40   0.20000  1.0 3.0
   47    49    53    57   1.36600  1.0 1.0
   47    49    53    57  -0.11450 -1.0 2.0
   47    49    53    57   0.24250  1.0 3.0
   47    52    55    56   3.00000 -1.0 2.0
   47    52    55    59   2.00000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    52    55   0.08050  1.0 3.0
   49    47    52    55  -0.25900  1.0 1.0
   49    47    52    55  -0.47000 -1.0 2.0
   49    47    52    55   0.11750  1.0 3.0
   49    53    40    33   0.56750  1.0 1.0
   49    53    40    33  -0.07550 -1.0 2.0
   49    53    40    33   0.20000  1.0 3.0
   49    53    40    41   0.15000  1.0 3.0
   49    53    40    45   0.86500  1.0 1.0
   49    53    40    45  -0.17500 -1.0 2.0
   49    53    40    45   0.20800  1.0 3.0
   49    53   -57    38   0.47100  1.0 1.0
   49    53    57    58   0.17350  1.0 3.0
   49    53    57    60   0.47100  1.0 1.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    40   0.15000  1.0 3.0
   50    49    53    57   0.19200  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    40   0.15000  1.0 3.0
   51    49    53    57   0.19200  1.0 3.0
   53    40    45    46  -0.11600  1.0 1.0
   53    40    45    46  -0.09450 -1.0 2.0
   53    40    45    46   0.21250  1.0 3.0
   53    57    60    61   0.15000  1.0 3.0
   53    57    60    62   0.15000  1.0 3.0
   53    57    60    63   0.15000  1.0 3.0
   54    53    40    33   0.15000  1.0 3.0
   54    53    40    41   0.15000  1.0 3.0
   54    53    40    45   0.23400  1.0 3.0
   54    53    57    38   0.15000  1.0 3.0
   54    53    57    58   0.13050  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33   -38    57   1.36600  1.0 1.0
   40    33   -38    57  -0.11450 -1.0 2.0
   40    33   -38    57   0.24250  1.0 3.0
   40    53   -57    38   0.47100  1.0 1.0
   40    53    57    58   0.17350  1.0 3.0
   40    53    57    60   0.47100  1.0 1.0
   41    40    45    46   0.19450  1.0 3.0
   57    38    42    43   0.19200  1.0 3.0
   57    38    42    44   0.19200  1.0 3.0
   57    38   -42    47   1.36600  1.0 1.0
   57    38   -42    47  -0.11450 -1.0 2.0
   57    38   -42    47   0.24250  1.0 3.0
   57    53   -40    33   1.36600  1.0 1.0
   57    53   -40    33  -0.11450 -1.0 2.0
   57    53   -40    33   0.24250  1.0 3.0
   57    53    40    41   0.19200  1.0 3.0
   57    53    40    45   1.69300  1.0 1.0
   57    53    40    45  -0.48450 -1.0 2.0
   58    57    60    61   0.13050  1.0 3.0
   58    57    60    62   0.13050  1.0 3.0
   58    57    60    63   0.13050  1.0 3.0
   52    47    49    50   0.23400  1.0 3.0
   52    47    49    51   0.23400  1.0 3.0
   52    47    49    53   0.62750  1.0 1.0
   52    47    49    53  -0.30950 -1.0 2.0
   52    47    49    53   0.27300  1.0 3.0
   52    55    59    64   1.50000 -1.0 2.0
   52    55    59    65  -0.56150  1.0 1.0
   52    55    59    65   2.19150 -1.0 2.0
   55    59    64    68  -0.01750  1.0 1.0
   55    59    64    68  -0.32000 -1.0 2.0
   55    59    64    68   0.00600  1.0 3.0
   55    59    64    76  -0.01750  1.0 1.0
   55    59    64    76  -0.32000 -1.0 2.0
   55    59    64    76   0.00600  1.0 3.0
   55    59    65    66   7.00000 -1.0 2.0
   55    59    65    67   7.00000 -1.0 2.0
   56    55    59    64  -0.52200  1.0 1.0
   56    55    59    64   0.82950 -1.0 2.0
   56    55    59    65   1.00000 -1.0 2.0
   59    64    68    69   3.62500 -1.0 2.0
   59    64    68    70   3.62500 -1.0 2.0
   59    64    76    74   3.62500 -1.0 2.0
   59    64    76    77   3.62500 -1.0 2.0
   64    59    65    66   7.00000 -1.0 2.0
   64    59    65    67   7.00000 -1.0 2.0
   64    68    70    71   3.62500 -1.0 2.0
   64    68    70    72   3.62500 -1.0 2.0
   68    64    76    74   3.62500 -1.0 2.0
   68    64    76    77   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70   -72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74   -76    64   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   75    74    76    64   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    64    68    69   3.62500 -1.0 2.0
   76    64   -68    70   3.62500 -1.0 2.0
   65    59    64    68   0.15800  1.0 1.0
   65    59    64    68   1.85350 -1.0 2.0
   65    59    64    68  -0.48700  1.0 3.0
   65    59    64    76   0.15800  1.0 1.0
   65    59    64    76   1.85350 -1.0 2.0
   65    59    64    76  -0.48700  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
   36    30    35    37  10.50000 -1.0 2.0
   52    59    55    56  10.50000 -1.0 2.0
   55    64    59    65  15.00000 -1.0 2.0
   68    76    64    59   4.00000 -1.0 2.0
   70    69    68    64   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    77    76    64   1.10000 -1.0 2.0
   66    67    65    59  15.00000 -1.0 2.0
END
