* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    151    244     459
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02108   106.63076   -15.55742
    3     1 S   H    _H1_     3     1.02093    56.78004    86.22280
    4     1 S   H    _H2_     4     1.02149    55.30342  -117.07377
    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     1.08491   110.56590    58.74922
   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   _C13    36     1.84681    97.42053  -158.16102
   34    33 S   HC   _H5_    37     1.09870   103.40625    36.07418
   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   _C14    38     1.54402   109.98808   -79.99850
   39    38 S   HC   _H18    39     1.09434   112.88090   -45.83312
   40    33 S   CT   _C12    55     1.55096   108.37843   151.10164
   41    40 S   HC   _H4_    56     1.10921   109.57416    29.81088
   42    38 S   CT   _C15    40     1.53835   112.61036  -171.42217
   43    42 S   HC   _H6_    41     1.09700   110.03802  -143.24562
   44    40 S   OH   _O36    57     1.43763   106.90468   -84.41447
   45    44 S   HO   _H22    58     0.96567   105.64821    60.00993
   46    38 S   CO4  _C17    75     1.50944   109.18459    70.39359
   47    46 S   O    _O35    76     1.22686   123.41960  -121.22136
   48    46 S   HC   _H21    77     1.10288   115.60336    58.77234
   49    42 S   CT   _C16    42     1.53220   114.46805    96.74178
   50    49 S   HC   _H19    43     1.09706   110.37967    63.21304
   51    49 S   HC   _H20    44     1.09745   107.03464   178.66969
   52    42 S   OS   _O33    60     1.43189   106.77904   -28.68418
   53    49 S   CT   _C10    45     1.54112   111.68819   -61.15219
   54    53 S   CT   _C9_    46     1.55921   110.97082  -141.88396
   55    54 S   HC   _H16    47     1.09535   113.38216    -5.64320
   56    54 S   HC   _H17    48     1.09667   111.15034  -124.95091
   57    53 S   CT   _C18    71     1.54346   109.69893    99.78722
   58    57 S   HC   _H23    72     1.08287   109.05241   -59.39500
   59    57 S   HC   _H24    73     1.08343   109.02618  -179.44503
   60    57 S   HC   _H25    74     1.08357   108.95139    60.60012
   61    54 S   CT   _C8_    49     1.52565   106.99042   116.46598
   62    61 S   HC   _H14    50     1.09482   111.92394   147.59751
   63    61 S   HC   _H15    51     1.09716   109.37302   -93.88918
   64    61 S   CT   _C7_    52     1.53362   105.15827    24.21145
   65    64 S   HC   _H3_    53     1.10533   108.24713  -154.37910
   66    53 S   CT   _C11    54     1.55996   108.01131   -27.18449
   67    64 S   CT   _C5_    61     1.52745   111.00178    87.77747
   68    67 S   HC   _H10    62     1.09569   108.09442   -80.00622
   69    66 S   OS   _O34    59     1.45520   106.73931   -34.16642
   70    67 S   CT   _C4_    63     1.52496   110.44816    38.58060
   71    70 S   HC   _H7_    64     1.09460   111.42767    61.68721
   72    70 S   HC   _H8_    65     1.09544   110.86167   -58.65563
   73    70 S   HC   _H9_    66     1.09488   110.63269  -178.11882
   74    67 S   CT   _C6_    67     1.52515   110.40545   161.45278
   75    74 S   HC   _H11    68     1.09581   111.42116   -61.73248
   76    74 S   HC   _H12    69     1.09534   110.64162   178.13891
   77    74 S   HC   _H13    70     1.09437   110.91641    58.59530
  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
  18   8   2   1   1  16   8  16   6  13   7   5   1   4   1   1
  15   6   5   4  15  14   7   6   7   3   2   1  10   5   4  13
   6   5  10   8   1   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    66    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    53    64    66    40    41    44    45    69    52    46    47    48  
   38    39    42    66    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    49    50    51    53    66    40    41    44    69    52    46    47    48  
   42    43    49    40    52    46    47    48  
   41    44    45    69    52    67    57    46    42    49    53    54    61    64    65    66  
   44    45    69    53    64    66  
   43    49    50    51    53    54    66    69    52    57    46    47    48  
   49    50    51    53    69    52    46  
   45    69    53    64    66  
   66  
   47    48    49    52  
   48  
    0  
   50    51    53    54    55    56    61    64    66    69    52    57    58    59    60  
   51    53    54    66    52    57  
   53    54    66    52    57  
   53    64    66    69  
   54    55    56    61    62    63    64    65    66    69    67    57    58    59    60  
   55    56    61    62    63    64    65    66    69    67    57    58    59    60  
   56    61    62    63    64    66    57  
   61    62    63    64    66    57  
   58    59    60    61    64    66    69  
   59    60    66  
   60    66  
   66  
   62    63    64    65    66    69    67    68    70    74  
   63    64    65    66    67  
   64    65    66    67  
   65    66    69    67    68    70    71    72    73    74    75    76    77  
   66    69    67    68    70    74  
   69    67    68    70    74  
   68    70    71    72    73    74    75    76    77    69  
   70    71    72    73    74    75    76    77  
    0  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   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   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   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   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.4200   0.0150   0.000000   1.3810   1.2100   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   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    46   317.000  1.522
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    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   268.000  1.529
   53    66   268.000  1.529
   53    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    67   268.000  1.529
   66    40   268.000  1.529
   66    69   320.000  1.410
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    45   553.000  0.945
   69    52   245.000  1.492
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    74   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   46    47   570.000  1.229
   46    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  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    46    63.00000  111.10000
   33    40    66    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    49    58.35000  112.70000
   38    42    52    50.00000  109.50000
   38    46    47    80.00000  120.40000
   38    46    48    35.00000  115.00000
   42    38    39    37.50000  110.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    53    58.35000  112.70000
   42    52    69   125.00000  107.00000
   49    42    43    37.50000  110.70000
   49    53    54    58.35000  112.70000
   49    53    66    58.35000  112.70000
   49    53    57    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    56    37.50000  110.70000
   53    54    61    58.35000  112.70000
   53    66    64    58.35000  112.70000
   53    66    40    58.35000  112.70000
   53    66    69    50.00000  109.50000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    40    58.35000  112.70000
   64    66    69    50.00000  109.50000
   64    67    68    37.50000  110.70000
   64    67    70    58.35000  112.70000
   64    67    74    58.35000  112.70000
   66    53    54    58.35000  112.70000
   66    64    65    37.50000  110.70000
   66    40    41    37.50000  110.70000
   66    40    44    50.00000  109.50000
   66    69    52   125.00000  107.00000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    44    45    55.00000  108.50000
   44    40    41    35.00000  109.50000
   69    66    40    50.00000  109.50000
   52    42    43    35.00000  109.50000
   52    42    49    50.00000  109.50000
   67    64    65    37.50000  110.70000
   67    64    66    58.35000  112.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   70    67    68    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    70    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   57    53    54    58.35000  112.70000
   57    53    66    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   46    38    39    35.00000  109.50000
   46    38    42    63.00000  111.10000
   48    46    47    35.00000  123.00000
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    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    66   0.44750  1.0 1.0
   29    33    40    66  -0.17800 -1.0 2.0
   29    33    40    66   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    49   0.56750  1.0 1.0
   33    38    42    49  -0.07550 -1.0 2.0
   33    38    42    49   0.20000  1.0 3.0
   33    38    42    52   0.62750  1.0 1.0
   33    38    42    52  -0.30950 -1.0 2.0
   33    38    42    52   0.27300  1.0 3.0
   33    38    46    47   0.30150 -1.0 2.0
   33    38    46    48   0.74550  1.0 1.0
   33    38    46    48  -0.00500 -1.0 2.0
   33    40    44    45  -0.11600  1.0 1.0
   33    40    44    45  -0.09450 -1.0 2.0
   33    40    44    45   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    46  -0.11250  1.0 3.0
   34    33    40    66   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.23400  1.0 3.0
   38    33    40    66   0.56750  1.0 1.0
   38    33    40    66  -0.07550 -1.0 2.0
   38    33    40    66   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.86500  1.0 1.0
   38    33    40    44  -0.17500 -1.0 2.0
   38    33    40    44   0.20800  1.0 3.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    53   0.56750  1.0 1.0
   38    42    49    53  -0.07550 -1.0 2.0
   38    42    49    53   0.20000  1.0 3.0
   38    42    52    69   0.37500  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    42    52   0.23400  1.0 3.0
   39    38    46    47   0.00000  1.0 1.0
   39    38    46    48   0.00000  1.0 1.0
   42    38    46    47   0.30150 -1.0 2.0
   42    38    46    48   0.74550  1.0 1.0
   42    38    46    48  -0.00500 -1.0 2.0
   42    49    53    54   0.56750  1.0 1.0
   42    49    53    54  -0.07550 -1.0 2.0
   42    49    53    54   0.20000  1.0 3.0
   42    49    53    66   0.56750  1.0 1.0
   42    49    53    66  -0.07550 -1.0 2.0
   42    49    53    66   0.20000  1.0 3.0
   42    49    53    57   0.56750  1.0 1.0
   42    49    53    57  -0.07550 -1.0 2.0
   42    49    53    57   0.20000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    53   0.15000  1.0 3.0
   43    42    52    69   0.37500  1.0 3.0
   49    42    52    69   0.37500  1.0 3.0
   49    53    54    55   0.15000  1.0 3.0
   49    53    54    56   0.15000  1.0 3.0
   49    53    54    61   0.56750  1.0 1.0
   49    53    54    61  -0.07550 -1.0 2.0
   49    53    54    61   0.20000  1.0 3.0
   49    53    66    64   0.56750  1.0 1.0
   49    53    66    64  -0.07550 -1.0 2.0
   49    53    66    64   0.20000  1.0 3.0
   49    53    66    40   0.56750  1.0 1.0
   49    53    66    40  -0.07550 -1.0 2.0
   49    53    66    40   0.20000  1.0 3.0
   49    53   -66    69   0.62750  1.0 1.0
   49    53   -66    69  -0.30950 -1.0 2.0
   49    53   -66    69   0.27300  1.0 3.0
   49    53    57    58   0.15000  1.0 3.0
   49    53    57    59   0.15000  1.0 3.0
   49    53    57    60   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    66   0.15000  1.0 3.0
   50    49    53    57   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    66   0.15000  1.0 3.0
   51    49    53    57   0.15000  1.0 3.0
   53    54    61    62   0.15000  1.0 3.0
   53    54    61    63   0.15000  1.0 3.0
   53    54   -61    64   0.56750  1.0 1.0
   53    54   -61    64  -0.07550 -1.0 2.0
   53    54   -61    64   0.20000  1.0 3.0
   53    66    40    33   0.56750  1.0 1.0
   53    66    40    33  -0.07550 -1.0 2.0
   53    66    40    33   0.20000  1.0 3.0
   53    66    40    41   0.15000  1.0 3.0
   53    66    40    44   0.86500  1.0 1.0
   53    66    40    44  -0.17500 -1.0 2.0
   53    66    40    44   0.20800  1.0 3.0
   53    66    69    52   0.37500  1.0 3.0
   54    53   -66    64   0.56750  1.0 1.0
   54    53   -66    64  -0.07550 -1.0 2.0
   54    53   -66    64   0.20000  1.0 3.0
   54    53    66    40   0.56750  1.0 1.0
   54    53    66    40  -0.07550 -1.0 2.0
   54    53    66    40   0.20000  1.0 3.0
   54    53    66    69   0.62750  1.0 1.0
   54    53    66    69  -0.30950 -1.0 2.0
   54    53    66    69   0.27300  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    61    64    65   0.15000  1.0 3.0
   54    61   -64    66   0.56750  1.0 1.0
   54    61   -64    66  -0.07550 -1.0 2.0
   54    61   -64    66   0.20000  1.0 3.0
   54    61    64    67   0.56750  1.0 1.0
   54    61    64    67  -0.07550 -1.0 2.0
   54    61    64    67   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   61    64   -66    53   0.56750  1.0 1.0
   61    64   -66    53  -0.07550 -1.0 2.0
   61    64   -66    53   0.20000  1.0 3.0
   61    64    66    40   0.56750  1.0 1.0
   61    64    66    40  -0.07550 -1.0 2.0
   61    64    66    40   0.20000  1.0 3.0
   61    64    66    69   0.62750  1.0 1.0
   61    64    66    69  -0.30950 -1.0 2.0
   61    64    66    69   0.27300  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    70   0.56750  1.0 1.0
   61    64    67    70  -0.07550 -1.0 2.0
   61    64    67    70   0.20000  1.0 3.0
   61    64    67    74   0.56750  1.0 1.0
   61    64    67    74  -0.07550 -1.0 2.0
   61    64    67    74   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    66    40    33   0.56750  1.0 1.0
   64    66    40    33  -0.07550 -1.0 2.0
   64    66    40    33   0.20000  1.0 3.0
   64    66    40    41   0.15000  1.0 3.0
   64    66    40    44   0.86500  1.0 1.0
   64    66    40    44  -0.17500 -1.0 2.0
   64    66    40    44   0.20800  1.0 3.0
   64    66    69    52   0.37500  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67    70    73   0.15000  1.0 3.0
   64    67    74    75   0.15000  1.0 3.0
   64    67    74    76   0.15000  1.0 3.0
   64    67    74    77   0.15000  1.0 3.0
   65    64    66    53   0.15000  1.0 3.0
   65    64    66    40   0.15000  1.0 3.0
   65    64    66    69   0.23400  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    64    67    74   0.15000  1.0 3.0
   66    53    54    55   0.15000  1.0 3.0
   66    53    54    56   0.15000  1.0 3.0
   66    53   -54    61   0.56750  1.0 1.0
   66    53   -54    61  -0.07550 -1.0 2.0
   66    53   -54    61   0.20000  1.0 3.0
   66    53    57    58   0.15000  1.0 3.0
   66    53    57    59   0.15000  1.0 3.0
   66    53    57    60   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    70   0.56750  1.0 1.0
   66    64    67    70  -0.07550 -1.0 2.0
   66    64    67    70   0.20000  1.0 3.0
   66    64    67    74   0.56750  1.0 1.0
   66    64    67    74  -0.07550 -1.0 2.0
   66    64    67    74   0.20000  1.0 3.0
   66    40    44    45  -0.11600  1.0 1.0
   66    40    44    45  -0.09450 -1.0 2.0
   66    40    44    45   0.21250  1.0 3.0
   66    69   -52    42  -2.50000 -1.0 2.0
   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    46  -0.95700  1.0 1.0
   40    33    38    46  -0.18200 -1.0 2.0
   40    33    38    46   0.29450  1.0 3.0
   40    66    69    52   0.37500  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   69    66    40    33   0.62750  1.0 1.0
   69    66    40    33  -0.30950 -1.0 2.0
   69    66    40    33   0.27300  1.0 3.0
   69    66    40    41   0.23400  1.0 3.0
   69    66    40    44   3.69350  1.0 1.0
   69    66    40    44  -1.82950 -1.0 2.0
   52    42    49    50   0.23400  1.0 3.0
   52    42    49    51   0.23400  1.0 3.0
   52    42   -49    53   0.62750  1.0 1.0
   52    42   -49    53  -0.30950 -1.0 2.0
   52    42   -49    53   0.27300  1.0 3.0
   67    64    66    53   0.56750  1.0 1.0
   67    64    66    53  -0.07550 -1.0 2.0
   67    64    66    53   0.20000  1.0 3.0
   67    64    66    40   0.56750  1.0 1.0
   67    64    66    40  -0.07550 -1.0 2.0
   67    64    66    40   0.20000  1.0 3.0
   67    64    66    69   0.62750  1.0 1.0
   67    64    66    69  -0.30950 -1.0 2.0
   67    64    66    69   0.27300  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   70    67    74    75   0.15000  1.0 3.0
   70    67    74    76   0.15000  1.0 3.0
   70    67    74    77   0.15000  1.0 3.0
   74    67    70    71   0.15000  1.0 3.0
   74    67    70    72   0.15000  1.0 3.0
   74    67    70    73   0.15000  1.0 3.0
   57    53    54    55   0.15000  1.0 3.0
   57    53    54    56   0.15000  1.0 3.0
   57    53    54    61   0.56750  1.0 1.0
   57    53    54    61  -0.07550 -1.0 2.0
   57    53    54    61   0.20000  1.0 3.0
   57    53    66    64   0.56750  1.0 1.0
   57    53    66    64  -0.07550 -1.0 2.0
   57    53    66    64   0.20000  1.0 3.0
   57    53    66    40   0.56750  1.0 1.0
   57    53    66    40  -0.07550 -1.0 2.0
   57    53    66    40   0.20000  1.0 3.0
   57    53    66    69   0.62750  1.0 1.0
   57    53    66    69  -0.30950 -1.0 2.0
   57    53    66    69   0.27300  1.0 3.0
   46    38    42    43  -0.11250  1.0 3.0
   46    38    42    49  -0.95700  1.0 1.0
   46    38    42    49  -0.18200 -1.0 2.0
   46    38    42    49   0.29450  1.0 3.0
   46    38    42    52  -0.09450  1.0 1.0
   46    38    42    52  -1.12950 -1.0 2.0
   46    38    42    52   0.54000  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
   38    48    46    47  10.50000 -1.0 2.0
END
