* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    151    236     431
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02105    86.36433   -74.83172
    3     1 S   H    _H1_     3     1.02048    93.94574    33.67817
    4     1 S   H    _H2_     4     1.02166    33.37092   152.35625
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C17    36     1.81066    98.50743   -78.13273
   34    33 S   HC   _H19    37     1.09225   109.07900   -59.13364
   35    33 S   HC   _H20    38     1.09154   109.08687    59.09160
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C13    39     1.52350   110.37467   179.98022
   40    39 S   HC   _H5_    40     1.09575   110.34458   -39.52578
   41    39 S   CO4  _C14    41     1.50386   108.98452    80.31143
   42    41 S   O    _O34    42     1.22150   125.65803   -74.83162
   43    41 S   OS   _O35    43     1.36400   109.77958   103.30469
   44    43 S   CT   _C15    44     1.44098   110.52485    -0.87782
   45    44 S   HC   _H6_    45     1.09460   106.95603   -95.69752
   46    39 S   CT   _C12    46     1.53613   116.45575  -165.24266
   47    46 S   HC   _H4_    47     1.09925   106.64475   159.04887
   48    44 S   C3T  _C16    64     1.49475   107.96903   143.61491
   49    48 S   HC   _H7_    65     1.08127   114.40279   -84.53048
   50    46 S   CT   _C11    48     1.53807   113.52448    39.61860
   51    50 S   HC   _H17    49     1.09840   106.75042    42.19757
   52    50 S   HC   _H18    50     1.09548   110.64380   -72.30603
   53    71 S   O3T  _O36    66     1.42651   115.55234  -159.42060
   54    50 S   CT   _C10    51     1.53334   115.76811   159.05494
   55    54 S   HC   _H15    52     1.09827   107.65320  -157.21722
   56    54 S   HC   _H16    53     1.09720   110.06145   -41.88598
   57    54 S   C3T  _C9_    54     1.49364   113.74042    83.52944
   58    57 S   C3T  _C8_    55     1.50990   121.12765  -127.74115
   59    58 S   HC   _H3_    56     1.08159   120.02253     5.87410
   60    57 S   CT   _C18    72     1.49749   115.90608    40.60435
   61    60 S   HC   _H21    73     1.09959   111.24598  -179.94766
   62    60 S   HC   _H22    74     1.09855   111.29198    60.07185
   63    60 S   HC   _H23    75     1.09947   111.31943   -60.02332
   64    58 S   CT   _C7_    57     1.49581   119.67674   156.16444
   65    64 S   HC   _H13    58     1.09665   108.47265   149.56544
   66    64 S   HC   _H14    59     1.09583   111.72381    32.78629
   67    57 S   O3T  _O33    71     1.44095   114.03200   166.60963
   68    64 S   CT   _C6_    60     1.53092   111.33400   -90.88361
   69    68 S   HC   _H11    61     1.09708   109.46212  -179.84174
   70    68 S   HC   _H12    62     1.09731   109.29994   -63.48031
   71    68 S   C3T  _C5_    63     1.49547   111.28596    58.54419
   72    71 S   CT   _C4_    67     1.49349   115.72674    70.15259
   73    72 S   HC   _H8_    68     1.10056   111.50476   179.97202
   74    72 S   HC   _H9_    69     1.10106   111.41830    60.06102
   75    72 S   HC   _H10    70     1.10072   111.48471   -59.94500
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  12   5  12
   4   9   5   4   9  11   5   4  11  13   6   5   3   2   1   8
   6   5   1   7   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    52    54    48  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    71    48    49    53  
   45    46    47    50    51    52    54    68    71    48    49    53    72  
   46    47    50    71    48    49    53  
   47    50    51    52    54    55    56    57    71    48    49    53  
   50    51    52    54    48  
   49    53    72    73    74    75    50    64    68    69    70    71  
   53    72    68    71  
   51    52    54    55    56    57    58    67    60  
   52    54    55    56    57  
   54    55    56    57  
   72    73    74    75    64    68    69    70    71  
   55    56    57    58    59    64    67    60    61    62    63  
   56    57    58    67    60  
   57    58    67    60  
   58    59    64    65    66    68    67    60    61    62    63  
   59    64    65    66    68    69    70    71    67    60    61    62    63  
   64    65    66    68    67    60  
   61    62    63    64    67  
   62    63    67  
   63    67  
   67  
   65    66    68    69    70    71    72    67  
   66    68    69    70    71    67  
   68    69    70    71    67  
   68  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   275.000  1.510
   57    58   260.000  1.509
   57    67   335.000  1.432
   57    60   275.000  1.510
   58    59   340.000  1.088
   58    64   275.000  1.510
   58    67   335.000  1.432
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   275.000  1.510
   71    48   260.000  1.509
   71    53   335.000  1.432
   71    72   275.000  1.510
   48    49   340.000  1.088
   48    53   335.000  1.432
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    71    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    53    80.00000  116.47100
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    54    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    70.00000  112.37300
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    57    58    60.00000  120.94000
   54    57    67    80.00000  116.47100
   54    57    60    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    45.00000  109.38400
   57    54    56    45.00000  109.38400
   57    58    59    37.50000  117.20000
   57    58    64    60.00000  120.94000
   57    58    67    15.00000   60.43100
   57    67    58    15.00000   59.14900
   57    60    61    45.00000  109.38400
   57    60    62    45.00000  109.38400
   57    60    63    45.00000  109.38400
   58    64    65    45.00000  109.38400
   58    64    66    45.00000  109.38400
   58    64    68    70.00000  112.37300
   64    58    59    40.00000  115.04500
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    70.00000  112.37300
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    71    48    60.00000  120.94000
   68    71    53    80.00000  116.47100
   68    71    72    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    45.00000  109.38400
   71    68    70    45.00000  109.38400
   71    48    49    37.50000  117.20000
   71    48    53    15.00000   60.43100
   71    53    48    15.00000   59.14900
   71    72    73    45.00000  109.38400
   71    72    74    45.00000  109.38400
   71    72    75    45.00000  109.38400
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   53    71    48    15.00000   60.43100
   53    48    49    50.00000  114.27700
   72    71    48    60.00000  120.94000
   72    71    53    80.00000  116.47100
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   67    57    58    15.00000   60.43100
   67    58    59    50.00000  114.27700
   67    58    64    80.00000  116.47100
   60    57    58    60.00000  120.94000
   60    57    67    80.00000  116.47100
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    52   0.15000  1.0 3.0
   39    46    50    54   0.56750  1.0 1.0
   39    46    50    54  -0.07550 -1.0 2.0
   39    46    50    54   0.20000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    71  -0.26800  1.0 1.0
   43    44    48    71   0.69150 -1.0 2.0
   43    44    48    71  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    53   1.11900  1.0 1.0
   43    44    48    53  -1.16350 -1.0 2.0
   43    44    48    53  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    52   0.15000  1.0 3.0
   44    46    50    54   0.56750  1.0 1.0
   44    46    50    54  -0.07550 -1.0 2.0
   44    46    50    54   0.20000  1.0 3.0
   44    48   -53    71   0.06250  1.0 1.0
   44    48   -53    71  -0.01100 -1.0 2.0
   44    48   -53    71   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    71   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    53   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    71   0.07850  1.0 1.0
   46    44    48    71  -0.03950 -1.0 2.0
   46    44    48    71   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    53   0.02550  1.0 1.0
   46    44    48    53  -0.02600 -1.0 2.0
   46    44    48    53   1.20400  1.0 3.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    56   0.15000  1.0 3.0
   46    50    54    57   0.47050  1.0 1.0
   46    50    54    57   0.03900 -1.0 2.0
   46    50    54    57   0.20100  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   50    54    57    58   0.07850  1.0 1.0
   50    54    57    58  -0.03950 -1.0 2.0
   50    54    57    58   0.67350  1.0 3.0
   50    54    57    67   0.02550  1.0 1.0
   50    54    57    67  -0.02600 -1.0 2.0
   50    54    57    67   1.20400  1.0 3.0
   50    54    57    60   0.56750  1.0 1.0
   50    54    57    60  -0.07550 -1.0 2.0
   50    54    57    60   0.20000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   54    57    58    59   0.15000  1.0 3.0
   54    57    58    64   0.56750  1.0 1.0
   54    57    58    64  -0.07550 -1.0 2.0
   54    57    58    64   0.20000  1.0 3.0
   54    57   -58    67   0.02550  1.0 1.0
   54    57   -58    67  -0.02600 -1.0 2.0
   54    57   -58    67   1.20400  1.0 3.0
   54    57   -67    58   0.06250  1.0 1.0
   54    57   -67    58  -0.01100 -1.0 2.0
   54    57   -67    58   0.28050  1.0 3.0
   54    57    60    61   0.15000  1.0 3.0
   54    57    60    62   0.15000  1.0 3.0
   54    57    60    63   0.15000  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    67   0.23400  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    67   0.23400  1.0 3.0
   56    54    57    60   0.15000  1.0 3.0
   57    58    64    65   0.15000  1.0 3.0
   57    58    64    66   0.15000  1.0 3.0
   57    58    64    68   0.07850  1.0 1.0
   57    58    64    68  -0.03950 -1.0 2.0
   57    58    64    68   0.67350  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
   58    64    68    69   0.15000  1.0 3.0
   58    64    68    70   0.15000  1.0 3.0
   58    64    68    71   0.47050  1.0 1.0
   58    64    68    71   0.03900 -1.0 2.0
   58    64    68    71   0.20100  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    68   0.15000  1.0 3.0
   59    58   -67    57   0.36800  1.0 3.0
   64    58   -67    57   0.06250  1.0 1.0
   64    58   -67    57  -0.01100 -1.0 2.0
   64    58   -67    57   0.28050  1.0 3.0
   64    68    71    48   0.07850  1.0 1.0
   64    68    71    48  -0.03950 -1.0 2.0
   64    68    71    48   0.67350  1.0 3.0
   64    68    71    53   0.02550  1.0 1.0
   64    68    71    53  -0.02600 -1.0 2.0
   64    68    71    53   1.20400  1.0 3.0
   64    68    71    72   0.56750  1.0 1.0
   64    68    71    72  -0.07550 -1.0 2.0
   64    68    71    72   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
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    70   0.15000  1.0 3.0
   66    64    68    71   0.15000  1.0 3.0
   68    71    48    44   0.56750  1.0 1.0
   68    71    48    44  -0.07550 -1.0 2.0
   68    71    48    44   0.20000  1.0 3.0
   68    71    48    49   0.15000  1.0 3.0
   68    71   -48    53   0.02550  1.0 1.0
   68    71   -48    53  -0.02600 -1.0 2.0
   68    71   -48    53   1.20400  1.0 3.0
   68    71   -53    48   0.06250  1.0 1.0
   68    71   -53    48  -0.01100 -1.0 2.0
   68    71   -53    48   0.28050  1.0 3.0
   68    71    72    73   0.15000  1.0 3.0
   68    71    72    74   0.15000  1.0 3.0
   68    71    72    75   0.15000  1.0 3.0
   69    68    71    48   0.15000  1.0 3.0
   69    68    71    53   0.23400  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   70    68    71    48   0.15000  1.0 3.0
   70    68    71    53   0.23400  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   48    44    46    39   0.47050  1.0 1.0
   48    44    46    39   0.03900 -1.0 2.0
   48    44    46    39   0.20100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    71    72    73   0.15000  1.0 3.0
   48    71    72    74   0.15000  1.0 3.0
   48    71    72    75   0.15000  1.0 3.0
   49    48   -53    71   0.36800  1.0 3.0
   53    71   -48    44   0.02550  1.0 1.0
   53    71   -48    44  -0.02600 -1.0 2.0
   53    71   -48    44   1.20400  1.0 3.0
   53    71   -48    49   0.23400  1.0 3.0
   53    71    72    73   0.23400  1.0 3.0
   53    71    72    74   0.23400  1.0 3.0
   53    71    72    75   0.23400  1.0 3.0
   72    71    48    44   0.56750  1.0 1.0
   72    71    48    44  -0.07550 -1.0 2.0
   72    71    48    44   0.20000  1.0 3.0
   72    71    48    49   0.15000  1.0 3.0
   72    71   -48    53   0.02550  1.0 1.0
   72    71   -48    53  -0.02600 -1.0 2.0
   72    71   -48    53   1.20400  1.0 3.0
   72    71   -53    48   0.06250  1.0 1.0
   72    71   -53    48  -0.01100 -1.0 2.0
   72    71   -53    48   0.28050  1.0 3.0
   67    57   -58    59   0.23400  1.0 3.0
   67    57   -58    64   0.02550  1.0 1.0
   67    57   -58    64  -0.02600 -1.0 2.0
   67    57   -58    64   1.20400  1.0 3.0
   67    57    60    61   0.23400  1.0 3.0
   67    57    60    62   0.23400  1.0 3.0
   67    57    60    63   0.23400  1.0 3.0
   67    58    64    65   0.23400  1.0 3.0
   67    58    64    66   0.23400  1.0 3.0
   67    58    64    68   0.02550  1.0 1.0
   67    58    64    68  -0.02600 -1.0 2.0
   67    58    64    68   1.20400  1.0 3.0
   60    57    58    59   0.15000  1.0 3.0
   60    57    58    64   0.56750  1.0 1.0
   60    57    58    64  -0.07550 -1.0 2.0
   60    57    58    64   0.20000  1.0 3.0
   60    57   -58    67   0.02550  1.0 1.0
   60    57   -58    67  -0.02600 -1.0 2.0
   60    57   -58    67   1.20400  1.0 3.0
   60    57   -67    58   0.06250  1.0 1.0
   60    57   -67    58  -0.01100 -1.0 2.0
   60    57   -67    58   0.28050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
END
