* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    152    240     459
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02071   104.95858   -32.08020
    3     1 S   H    _H1_     3     1.02102    66.98279    72.21800
    4     1 S   H    _H2_     4     1.02072    45.80438  -133.77082
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   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   109.88696   179.05602
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   OS   _O36    36     1.66274    98.52325   -59.97243
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CT   _C16    37     1.42984   113.75587  -160.00124
   38    37 S   CT   _C15    38     1.53808   107.82730  -160.03676
   39    38 S   HC   _H17    39     1.09534   109.68389    28.34486
   40    38 S   HC   _H18    40     1.09849   108.68483   -83.92501
   41    37 S   OS   _O35    66     1.42357   111.42294   -34.65212
   42    37 S   CT   _C17    75     1.53356   108.16666    81.12934
   43    42 S   HC   _H19    76     1.08663   109.52409   -62.50484
   44    42 S   HC   _H20    77     1.08634   109.50177   177.48830
   45    42 S   HC   _H21    78     1.08740   109.49960    57.46546
   46    38 S   CT   _C14    41     1.53031   115.22845   154.00233
   47    46 S   HC   _H15    42     1.09650   110.19391    43.95039
   48    46 S   HC   _H16    43     1.09692   107.80523   157.41419
   49    46 S   CT   _C13    44     1.55080   115.17406   -81.86736
   50    49 S   HC   _H7_    45     1.10172   104.71761  -173.72190
   51    49 S   CT   _C5_    46     1.55933   113.47772   -57.70593
   52    51 S   HC   _H3_    47     1.09553   109.83034    63.45514
   53    51 S   CT   _C6_    48     1.53314   111.11863  -178.77635
   54    53 S   HC   _H11    49     1.09723   109.91116  -176.72703
   55    53 S   HC   _H12    50     1.09756   109.99502    66.16053
   56    51 S   CT   _C4_    71     1.53263   112.57767   -56.15424
   57    56 S   HC   _H8_    72     1.08755   109.55400   -58.92055
   58    56 S   HC   _H9_    73     1.08663   109.50956  -178.91700
   59    56 S   HC   _H10    74     1.08692   109.56111    61.08670
   60    53 S   CT   _C7_    51     1.52232   111.81509   -55.70221
   61    60 S   HC   _H13    52     1.09583   107.82166   179.10781
   62    60 S   HC   _H14    53     1.09599   109.88822   -64.87302
   63    60 S   CT   _C8_    54     1.53328   110.77913    58.09432
   64    63 S   HC   _H4_    55     1.10144   107.11091    61.07273
   65    63 S   CT   _C9_    56     1.53656   113.82259   178.05368
   66    65 S   HC   _H5_    57     1.09955   108.59783  -171.53661
   67    65 S   CO4  _C10    58     1.51226   112.67148    72.14486
   68    67 S   O    _O33    59     1.22854   122.80432  -146.02761
   69    65 S   CT   _C18    67     1.53151   112.67922   -54.16515
   70    69 S   HC   _H23    68     1.08739   109.58815    61.22219
   71    69 S   HC   _H24    69     1.08692   109.63817   -58.80059
   72    69 S   HC   _H25    70     1.08748   109.60834  -178.81320
   73    67 S   OS   _O34    60     1.35176   116.05717    40.50244
   74    73 S   CO   _C11    61     1.45182   124.97670   -27.92644
   75    74 S   HC   _H6_    62     1.09476   104.42644   -94.10709
   76    49 S   CT   _C12    63     1.55942   112.81697    71.33677
   77    76 S   OH   _O37    64     1.44150   107.56697    62.63432
   78    77 S   HO   _H22    65     0.96561   105.63445    59.86772
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  11   2   1   1  16  15   7   6  13   5   2   1   1  12   5   4
  20   8  15   9  13   6   5   5   2   1   1  11   5   4  15   7
  11   8   9   3   5   2   1   1   4   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    46    74    41    42    43    44    45  
   35    36  
   36  
    0  
   38    39    40    46    47    48    49    73    74    75    76    41    42    43    44    45  
   39    40    46    47    48    49    50    51    74    76    41    42    43    44    45  
   40    46    47    48    49    41    42  
   46    47    48    49    41    42  
   42    43    44    45    46    49    63    67    73    74    75    76    77  
   43    44    45    46    74  
   44    45  
   45  
    0  
   47    48    49    50    51    52    53    63    74    76    77    56  
   48    49    50    51    76  
   49    50    51    76  
   50    51    52    53    54    55    60    63    64    65    73    74    75    76    77    78    56    57    58    59  
   51    52    53    63    74    76    77    56  
   52    53    54    55    60    61    62    63    74    76    77    56    57    58    59  
   53    54    55    60    76    56    57    58    59  
   54    55    60    61    62    63    64    65    76    56    57    58    59  
   55    60    61    62    63    56  
   60    61    62    63    56  
   57    58    59    60    76  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67    74    76    77    69  
   62    63    64    65    76  
   63    64    65    76  
   64    65    66    67    68    73    74    75    76    77    78    69    70    71    72  
   65    66    67    74    76    77    69  
   66    67    68    73    74    76    77    69    70    71    72  
   67    68    73    76    69    70    71    72  
   68    73    74    75    76    69    70    71    72  
   73    74    69  
   70    71    72    73    76  
   71    72  
   72  
    0  
   74    75    76    77  
   75    76    77    78  
   76    77  
   77    78  
   78  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.7660   1.5600   0.020110767  -0.896042159
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   655.000  1.490
   33    37   320.000  1.410
   37    38   268.000  1.529
   37    41   320.000  1.410
   37    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    76   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    76   268.000  1.529
   65    66   340.000  1.090
   65    67   317.000  1.522
   65    69   268.000  1.529
   67    68   570.000  1.229
   67    73   214.000  1.327
   73    74   320.000  1.380
   74    75   340.000  1.090
   74    76   250.000  1.527
   74    41   320.000  1.380
   76    77   320.000  1.410
   77    78   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    50.00000  109.50000
   33    37    41   110.00000  112.65000
   33    37    42    50.00000  109.50000
   37    38    39    37.50000  110.70000
   37    38    40    37.50000  110.70000
   37    38    46    58.35000  112.70000
   37    41    74    60.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    45    37.50000  110.70000
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   38    46    49    58.35000  112.70000
   40    38    39    33.00000  107.80000
   46    38    39    37.50000  110.70000
   46    38    40    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    76    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    53    58.35000  112.70000
   49    51    56    58.35000  112.70000
   49    76    63    58.35000  112.70000
   49    76    74    75.00000  109.43000
   49    76    77    50.00000  109.50000
   51    49    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    60    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    58.35000  112.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    58.35000  112.70000
   60    63    76    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    63.00000  111.10000
   63    65    69    58.35000  112.70000
   63    76    74    75.00000  109.43000
   63    76    77    50.00000  109.50000
   65    63    64    37.50000  110.70000
   65    67    68    80.00000  120.40000
   65    67    73    81.00000  111.40000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    37.50000  110.70000
   67    65    66    35.00000  109.50000
   67    73    74    95.00000  111.08000
   73    67    68    83.00000  123.40000
   73    74    75    35.00000  109.50000
   73    74    76    90.00000  108.56700
   73    74    41    92.60000  111.55000
   74    76    77    90.00000  111.58700
   76    49    50    37.50000  110.70000
   76    49    51    58.35000  112.70000
   76    63    64    37.50000  110.70000
   76    63    65    58.35000  112.70000
   76    74    75    45.00000  112.01100
   76    77    78    55.00000  108.50000
   41    37    38    50.00000  109.50000
   41    74    75    35.00000  109.50000
   41    74    76    90.00000  108.56700
   69    65    66    37.50000  110.70000
   69    65    67    63.00000  111.10000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   42    37    38    58.35000  112.70000
   42    37    41    50.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    41   0.37500  1.0 3.0
   29    33    37    42   0.37500  1.0 3.0
   33    37    38    39   0.23400  1.0 3.0
   33    37    38    40   0.23400  1.0 3.0
   33    37    38    46   0.62750  1.0 1.0
   33    37    38    46  -0.30950 -1.0 2.0
   33    37    38    46   0.27300  1.0 3.0
   33    37    41    74  -0.11650  1.0 1.0
   33    37    41    74  -1.14850 -1.0 2.0
   33    37    41    74   0.58850  1.0 3.0
   33    37    42    43   0.23400  1.0 3.0
   33    37    42    44   0.23400  1.0 3.0
   33    37    42    45   0.23400  1.0 3.0
   37    38    46    47   0.15000  1.0 3.0
   37    38    46    48   0.15000  1.0 3.0
   37    38    46    49   0.56750  1.0 1.0
   37    38    46    49  -0.07550 -1.0 2.0
   37    38    46    49   0.20000  1.0 3.0
   38    37    41    74   0.06250  1.0 1.0
   38    37    41    74  -0.01100 -1.0 2.0
   38    37    41    74   0.28050  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    45   0.15000  1.0 3.0
   38    46    49    50   0.15000  1.0 3.0
   38    46    49    51   0.56750  1.0 1.0
   38    46    49    51  -0.07550 -1.0 2.0
   38    46    49    51   0.20000  1.0 3.0
   38    46    49    76   0.56750  1.0 1.0
   38    46    49    76  -0.07550 -1.0 2.0
   38    46    49    76   0.20000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   39    38    46    49   0.15000  1.0 3.0
   40    38    46    47   0.15000  1.0 3.0
   40    38    46    48   0.15000  1.0 3.0
   40    38    46    49   0.15000  1.0 3.0
   46    49    51    52   0.15000  1.0 3.0
   46    49    51    53   0.56750  1.0 1.0
   46    49    51    53  -0.07550 -1.0 2.0
   46    49    51    53   0.20000  1.0 3.0
   46    49    51    56   0.56750  1.0 1.0
   46    49    51    56  -0.07550 -1.0 2.0
   46    49    51    56   0.20000  1.0 3.0
   46    49    76    63   0.56750  1.0 1.0
   46    49    76    63  -0.07550 -1.0 2.0
   46    49    76    63   0.20000  1.0 3.0
   46    49    76    74   3.97050  1.0 1.0
   46    49    76    77   0.86500  1.0 1.0
   46    49    76    77  -0.17500 -1.0 2.0
   46    49    76    77   0.20800  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    76   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    76   0.15000  1.0 3.0
   49    51    53    54   0.15000  1.0 3.0
   49    51    53    55   0.15000  1.0 3.0
   49    51    53    60   0.56750  1.0 1.0
   49    51    53    60  -0.07550 -1.0 2.0
   49    51    53    60   0.20000  1.0 3.0
   49    51    56    57   0.15000  1.0 3.0
   49    51    56    58   0.15000  1.0 3.0
   49    51    56    59   0.15000  1.0 3.0
   49    76    77    78  -0.11600  1.0 1.0
   49    76    77    78  -0.09450 -1.0 2.0
   49    76    77    78   0.21250  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    76    63   0.15000  1.0 3.0
   50    49    76    74   0.15000  1.0 3.0
   50    49    76    77   0.23400  1.0 3.0
   51    49    76    63   0.56750  1.0 1.0
   51    49    76    63  -0.07550 -1.0 2.0
   51    49    76    63   0.20000  1.0 3.0
   51    49    76    74   3.97050  1.0 1.0
   51    49    76    77   0.86500  1.0 1.0
   51    49    76    77  -0.17500 -1.0 2.0
   51    49    76    77   0.20800  1.0 3.0
   51    53    60    61   0.15000  1.0 3.0
   51    53    60    62   0.15000  1.0 3.0
   51    53   -60    63   0.56750  1.0 1.0
   51    53   -60    63  -0.07550 -1.0 2.0
   51    53   -60    63   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    60   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    59   0.15000  1.0 3.0
   53    60    63    64   0.15000  1.0 3.0
   53    60    63    65   0.56750  1.0 1.0
   53    60    63    65  -0.07550 -1.0 2.0
   53    60    63    65   0.20000  1.0 3.0
   53    60    63    76   0.56750  1.0 1.0
   53    60    63    76  -0.07550 -1.0 2.0
   53    60    63    76   0.20000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    63   0.15000  1.0 3.0
   60    63    65    66   0.15000  1.0 3.0
   60    63    65    67  -0.95700  1.0 1.0
   60    63    65    67  -0.18200 -1.0 2.0
   60    63    65    67   0.29450  1.0 3.0
   60    63    65    69   0.56750  1.0 1.0
   60    63    65    69  -0.07550 -1.0 2.0
   60    63    65    69   0.20000  1.0 3.0
   60    63   -76    49   0.56750  1.0 1.0
   60    63   -76    49  -0.07550 -1.0 2.0
   60    63   -76    49   0.20000  1.0 3.0
   60    63    76    74   3.97050  1.0 1.0
   60    63    76    77   0.86500  1.0 1.0
   60    63    76    77  -0.17500 -1.0 2.0
   60    63    76    77   0.20800  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    76   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    76   0.15000  1.0 3.0
   63    65    67    68   0.30150 -1.0 2.0
   63    65    67    73   0.36750  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65    69    71   0.15000  1.0 3.0
   63    65    69    72   0.15000  1.0 3.0
   63    76    77    78  -0.11600  1.0 1.0
   63    76    77    78  -0.09450 -1.0 2.0
   63    76    77    78   0.21250  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67  -0.11250  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    76    49   0.15000  1.0 3.0
   64    63    76    74   0.15000  1.0 3.0
   64    63    76    77   0.23400  1.0 3.0
   65    63    76    49   0.56750  1.0 1.0
   65    63    76    49  -0.07550 -1.0 2.0
   65    63    76    49   0.20000  1.0 3.0
   65    63    76    74   3.97050  1.0 1.0
   65    63    76    77   0.86500  1.0 1.0
   65    63    76    77  -0.17500 -1.0 2.0
   65    63    76    77   0.20800  1.0 3.0
   65    67   -73    74   1.63150  1.0 1.0
   65    67   -73    74   2.92000 -1.0 2.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    73   0.00000  1.0 1.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    72   0.15000  1.0 3.0
   67    65    69    70  -0.11250  1.0 3.0
   67    65    69    71  -0.11250  1.0 3.0
   67    65    69    72  -0.11250  1.0 3.0
   67    73    74    75   0.08050  1.0 3.0
   67    73    74    76  -2.60950  1.0 1.0
   67    73    74    76   1.40200 -1.0 2.0
   67    73    74    76   0.21950  1.0 3.0
   67    73    74    41  -1.83450  1.0 1.0
   67    73    74    41  -0.02700 -1.0 2.0
   67    73    74    41  -0.20100  1.0 3.0
   68    67    73    74   3.00000 -1.0 2.0
   73    74    76    49   0.62750  1.0 1.0
   73    74    76    49  -0.30950 -1.0 2.0
   73    74    76    49   0.27300  1.0 3.0
   73    74   -76    63   0.62750  1.0 1.0
   73    74   -76    63  -0.30950 -1.0 2.0
   73    74   -76    63   0.27300  1.0 3.0
   73    74    76    77   3.69350  1.0 1.0
   73    74    76    77  -1.82950 -1.0 2.0
   73    74    41    37  -0.53350  1.0 1.0
   73    74    41    37  -0.78350 -1.0 2.0
   73    74    41    37   0.33750  1.0 3.0
   74    76    77    78  -0.11600  1.0 1.0
   74    76    77    78  -0.09450 -1.0 2.0
   74    76    77    78   0.21250  1.0 3.0
   75    74    76    49   0.15000  1.0 3.0
   75    74    76    63   0.15000  1.0 3.0
   75    74    76    77   0.23400  1.0 3.0
   75    74    41    37   0.37050  1.0 3.0
   76    49    51    52   0.15000  1.0 3.0
   76    49   -51    53   0.56750  1.0 1.0
   76    49   -51    53  -0.07550 -1.0 2.0
   76    49   -51    53   0.20000  1.0 3.0
   76    49    51    56   0.56750  1.0 1.0
   76    49    51    56  -0.07550 -1.0 2.0
   76    49    51    56   0.20000  1.0 3.0
   76    63    65    66   0.15000  1.0 3.0
   76    63   -65    67  -0.95700  1.0 1.0
   76    63   -65    67  -0.18200 -1.0 2.0
   76    63   -65    67   0.29450  1.0 3.0
   76    63    65    69   0.56750  1.0 1.0
   76    63    65    69  -0.07550 -1.0 2.0
   76    63    65    69   0.20000  1.0 3.0
   76    74    41    37   0.06250  1.0 1.0
   76    74    41    37  -0.01100 -1.0 2.0
   76    74    41    37   0.28050  1.0 3.0
   41    37    38    39   0.23400  1.0 3.0
   41    37    38    40   0.23400  1.0 3.0
   41    37    38    46   0.62750  1.0 1.0
   41    37    38    46  -0.30950 -1.0 2.0
   41    37    38    46   0.27300  1.0 3.0
   41    37    42    43   0.23400  1.0 3.0
   41    37    42    44   0.23400  1.0 3.0
   41    37    42    45   0.23400  1.0 3.0
   41    74    76    49   0.62750  1.0 1.0
   41    74    76    49  -0.30950 -1.0 2.0
   41    74    76    49   0.27300  1.0 3.0
   41    74    76    63   0.62750  1.0 1.0
   41    74    76    63  -0.30950 -1.0 2.0
   41    74    76    63   0.27300  1.0 3.0
   41    74    76    77   3.69350  1.0 1.0
   41    74    76    77  -1.82950 -1.0 2.0
   69    65    67    68   0.30150 -1.0 2.0
   69    65    67    73   0.36750  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    60   0.56750  1.0 1.0
   56    51    53    60  -0.07550 -1.0 2.0
   56    51    53    60   0.20000  1.0 3.0
   42    37    38    39   0.15000  1.0 3.0
   42    37    38    40   0.15000  1.0 3.0
   42    37    38    46   0.56750  1.0 1.0
   42    37    38    46  -0.07550 -1.0 2.0
   42    37    38    46   0.20000  1.0 3.0
   42    37    41    74   0.06250  1.0 1.0
   42    37    41    74  -0.01100 -1.0 2.0
   42    37    41    74   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
   35    30    34    36  10.50000 -1.0 2.0
   65    73    67    68  10.50000 -1.0 2.0
END
