* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    147    228     432
    1     0 S   NP   _N1_     1    28.73309    94.57261   -20.92029
    2     1 S   H    _HN1     2     1.02780    89.83084   -88.78786
    3     1 S   H    _H1_     3     1.02958    88.88848    19.55257
    4     1 S   H    _H2_     4     1.02837    31.93788   145.37580
    5     1 S   CT   _CA1     5     1.50161   142.66209   142.85485
    6     5 S   HC   _HA1     6     1.09574   105.18066    60.63457
    7     5 S   CO3  _C1_     7     1.53798   112.30920   -59.45253
    8     7 S   O2Z  _O11     8     1.26368   115.03898   -43.16001
    9     7 S   O2Z  _O12     9     1.26227   114.91760   135.79749
   10     5 S   CT   _CB1    10     1.53089   107.38171   178.48651
   11    10 S   HC   HB11    11     1.09825   109.33648   -49.83570
   12    10 S   HC   HB12    12     1.09821   110.36930    66.70424
   13    10 S   CT   _CG1    13     1.53032   112.78499  -170.93369
   14    13 S   HC   HG11    14     1.09506   110.28234   -64.14555
   15    13 S   HC   HG12    15     1.09634   110.09065    55.15639
   16    13 S   C    _CD1    16     1.51830   112.26037   175.63412
   17    16 S   O    _OE1    17     1.22743   123.14962    -1.94783
   18    16 S   N    _N2_    18     1.38686   111.79435   178.06205
   19    18 S   H    _HN2    19     1.01567   119.12213     1.79961
   20    18 S   CT1  _CA2    20     1.46344   123.21924  -177.75781
   21    20 S   HC   _HA2    21     1.09733   109.28816    -6.25718
   22    20 S   C    _C2_    22     1.53407   108.79358  -122.04239
   23    22 S   O    _O2_    23     1.23035   122.12562  -147.24876
   24    20 S   CT   _CB2    32     1.53482   111.46400   115.42097
   25    24 S   HC   HB21    33     1.09435   109.81916    61.40707
   26    24 S   HC   HB22    34     1.09533   110.48600   179.35169
   27    22 S   N    _N3_    24     1.38474   113.50396    40.13962
   28    27 S   H    _HN3    25     1.01516   118.88392    -0.78957
   29    24 S   S    _SG2    35     1.82749   111.25107   -61.39323
   30    27 S   CT   _CA3    26     1.45461   123.59892   175.22279
   31    30 S   HC   HA31    27     1.09512   109.41671    20.76596
   32    30 S   HC   HA32    28     1.09500   107.07579   137.78756
   33    29 S   CT   _C8_    36     1.86250   100.30817   147.34600
   34    33 S   HC   _H3_    37     1.09677   106.74922    47.82701
   35    30 S   CO3  _C3_    29     1.52912   112.99414  -102.84305
   36    35 S   O2Z  _O31    30     1.26411   115.35239   -45.71270
   37    35 S   O2Z  _O32    31     1.26347   115.01670   135.19461
   38    33 S   CT   _C7_    38     1.53601   109.70732   -72.83126
   39    38 S   HC   _H11    39     1.09601   110.32347   157.87760
   40    38 S   HC   _H12    40     1.09312   112.91538    37.56317
   41    38 S   CM   _C6_    41     1.51340   104.05108   -84.92350
   42    41 S   CM   _C5_    42     1.34833   123.81638   156.66590
   43    41 S   CT   _C10    56     1.53184   109.66027   -19.23388
   44    43 S   HC   _H4_    57     1.10120   107.86061   107.94142
   45    42 S   CT   _C14    43     1.50727   122.86708  -168.21847
   46    45 S   HC   _H13    44     1.09935   108.81754    61.33729
   47    45 S   HC   _H14    45     1.09829   108.66310   173.20985
   48    33 S   CT   _C9_    58     1.56165   115.54513   172.76194
   49    48 S   OM   _O37    59     1.32126   112.05713   -44.11436
   50    42 S   CT   _C4_    74     1.50813   123.04054     7.97912
   51    50 S   HC   _H8_    75     1.09573   109.91420   130.58890
   52    50 S   HC   _H9_    76     1.09314   113.38479    11.61111
   53    50 S   HC   _H10    77     1.09368   110.40267  -109.83858
   54    45 S   CT   _C13    46     1.53516   116.86035   -63.55064
   55    54 S   HC   _H7_    47     1.09771   111.29932   -49.15867
   56    48 S   CT   _C20    60     1.55129   109.39452  -162.44497
   57    56 S   HC   _H20    61     1.09863   111.29150    54.44093
   58    56 S   HC   _H21    62     1.09519   112.18406   -65.30718
   59    56 S   HC   _H22    63     1.09722   112.85800   174.02749
   60    54 S   CT   _C12    48     1.53345   111.78837    74.63150
   61    60 S   HC   _H6_    49     1.10045   108.94008    57.66963
   62    54 S   OS   _O33    67     1.45269   106.05878  -168.66092
   63    60 S   CM   _C17    50     1.49952   118.56573   178.62257
   64    62 S   CO4  _C15    68     1.36342   117.42171    86.36129
   65    64 S   O    _O34    69     1.22310   126.42218     1.48504
   66    63 S   CO4  _C19    51     1.48141   107.03296   155.83588
   67    66 S   O    _O35    52     1.21707   127.35629   164.83104
   68    63 S   CM   _C18    64     1.33559   132.39840   -21.36362
   69    68 S   HC   _H18    65     1.08257   122.00934    -1.45455
   70    68 S   HC   _H19    66     1.08572   121.39281   178.45668
   71    64 S   CT   _C16    70     1.49821   109.45786  -178.54236
   72    71 S   HC   _H15    71     1.09290   109.83824   -60.73616
   73    71 S   HC   _H16    72     1.09376   109.36256  -179.78330
   74    71 S   HC   _H17    73     1.09293   109.80216    61.17620
   75    66 S   OS   _O36    53     1.36323   106.33478   -13.98624
   76    60 S   CT   _C11    54     1.52679   114.79649   -66.34947
   77    76 S   HC   _H5_    55     1.10084   110.46745   -51.03109
  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
  15   8   2   1   1  12   5   4  18  15  17   7  14   6   5   9
   5   4   2   1   1  13   6   4   2   1   1  12   7   8   8   5
   4   7   3   4   1   1   3   2   1   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    48    49    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    76    43    44    48    49    56    57    58    59  
   38    39    40    41    43    48    49    56  
   36    37  
   37  
    0  
   39    40    41    42    45    76    43    44    48    49    56    50  
   40    41    42    43    48  
   41    42    43    48  
   42    45    46    47    54    60    75    76    77    43    44    48    49    56    50    51    52    53  
   45    46    47    54    55    60    76    43    44    48    62    50    51    52    53  
   44    48    49    56    57    58    59    50    45    54    60    61    63    66    75    76    77  
   48    49    56    60    75    76    77  
   46    47    54    55    60    61    63    76    62    64    50    51    52    53  
   47    54    55    60    62    50  
   54    55    60    62    50  
   49    56    57    58    59    60    75    76    77  
   56    57    58    59    76  
   51    52    53    54  
   52    53  
   53  
    0  
   55    60    61    63    66    75    76    77    68    62    64    65    71  
   60    61    63    76    62    64  
   57    58    59    76  
   58    59  
   59  
    0  
   61    63    66    67    75    76    77    68    69    70    62    64  
   63    66    75    76    77    68    62  
   64    65    71    72    73    74    63    76  
   66    67    75    76    77    68    69    70  
   65    71    72    73    74  
   71    72    73    74  
   67    75    76    77    68    69    70  
   75    76    68  
   69    70    75    76  
   70  
    0  
   72    73    74  
   73    74  
   74  
    0  
   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  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   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    48   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.510
   41    42   549.000  1.340
   41    43   317.000  1.510
   42    45   317.000  1.510
   42    50   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    54   268.000  1.529
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    62   320.000  1.410
   60    61   340.000  1.090
   60    63   317.000  1.510
   60    76   268.000  1.529
   63    66   320.000  1.462
   63    68   549.000  1.340
   66    67   570.000  1.229
   66    75   214.000  1.327
   75    76   320.000  1.410
   76    77   340.000  1.090
   76    43   268.000  1.529
   43    44   340.000  1.090
   43    48   268.000  1.529
   48    49   570.000  1.307
   48    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   62    64   214.000  1.327
   64    65   570.000  1.229
   64    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.02700
   33    48    43    58.35000  112.70000
   33    48    49    50.00000  109.50000
   33    48    56    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  124.00000
   38    41    43    65.00000  117.92700
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    42    45    70.00000  124.00000
   41    42    50    70.00000  124.00000
   41    43    76    70.00000  112.02700
   41    43    44    35.00000  109.50000
   41    43    48    70.00000  112.02700
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    54    70.00000  112.02700
   42    50    51    35.00000  109.50000
   42    50    52    35.00000  109.50000
   42    50    53    35.00000  109.50000
   45    54    55    37.50000  110.70000
   45    54    60    58.35000  112.70000
   45    54    62    50.00000  109.50000
   47    45    46    33.00000  107.80000
   54    45    46    37.50000  110.70000
   54    45    47    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    63    70.00000  112.02700
   54    60    76    58.35000  112.70000
   54    62    64    83.00000  116.90000
   60    54    55    37.50000  110.70000
   60    63    66    65.00000  116.34900
   60    63    68    70.00000  124.00000
   60    76    75    50.00000  109.50000
   60    76    77    37.50000  110.70000
   60    76    43    58.35000  112.70000
   63    60    61    35.00000  109.50000
   63    66    67    80.00000  123.72100
   63    66    75    90.00000  111.29400
   63    68    69    35.00000  120.00000
   63    68    70    35.00000  120.00000
   66    75    76    83.00000  116.90000
   75    66    67    83.00000  123.40000
   75    76    77    35.00000  109.50000
   75    76    43    50.00000  109.50000
   76    60    61    37.50000  110.70000
   76    60    63    70.00000  112.02700
   76    43    44    37.50000  110.70000
   76    43    48    58.35000  112.70000
   43    41    42    70.00000  124.00000
   43    76    77    37.50000  110.70000
   43    48    49    50.00000  109.50000
   43    48    56    58.35000  112.70000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    43    44    37.50000  110.70000
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    59    37.50000  110.70000
   56    48    49    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   68    63    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   62    54    55    35.00000  109.50000
   62    54    60    50.00000  109.50000
   62    64    65    83.00000  123.40000
   62    64    71    81.00000  111.40000
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    74    35.00000  109.50000
   71    64    65    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   50    42    45    65.00000  117.92700
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    48    43   0.44750  1.0 1.0
   29    33    48    43  -0.17800 -1.0 2.0
   29    33    48    43   0.20200  1.0 3.0
   29    33    48    49   0.56750  1.0 1.0
   29    33    48    49  -0.07550 -1.0 2.0
   29    33    48    49   0.20000  1.0 3.0
   29    33    48    56   0.44750  1.0 1.0
   29    33    48    56  -0.17800 -1.0 2.0
   29    33    48    56   0.20200  1.0 3.0
   33    38    41    42   0.09850  1.0 1.0
   33    38    41    42   0.15250 -1.0 2.0
   33    38    41    42  -0.50650  1.0 3.0
   33    38   -41    43   0.46850  1.0 1.0
   33    38   -41    43   0.08550 -1.0 2.0
   33    38   -41    43   0.09800  1.0 3.0
   33    48    56    57   0.15000  1.0 3.0
   33    48    56    58   0.15000  1.0 3.0
   33    48    56    59   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    48    43   0.15000  1.0 3.0
   34    33    48    49   0.23400  1.0 3.0
   34    33    48    56   0.15000  1.0 3.0
   38    33   -48    43   0.56750  1.0 1.0
   38    33   -48    43  -0.07550 -1.0 2.0
   38    33   -48    43   0.20000  1.0 3.0
   38    33    48    49   0.62750  1.0 1.0
   38    33    48    49  -0.30950 -1.0 2.0
   38    33    48    49   0.27300  1.0 3.0
   38    33    48    56   0.56750  1.0 1.0
   38    33    48    56  -0.07550 -1.0 2.0
   38    33    48    56   0.20000  1.0 3.0
   38    41    42    45   7.00000 -1.0 2.0
   38    41    42    50   7.00000 -1.0 2.0
   38    41    43    76   0.46850  1.0 1.0
   38    41    43    76   0.08550 -1.0 2.0
   38    41    43    76   0.09800  1.0 3.0
   38    41    43    44   0.34800  1.0 3.0
   38    41   -43    48   0.46850  1.0 1.0
   38    41   -43    48   0.08550 -1.0 2.0
   38    41   -43    48   0.09800  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.34800  1.0 3.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.34800  1.0 3.0
   41    42    45    46   0.00000  1.0 1.0
   41    42    45    47   0.00000  1.0 1.0
   41    42    45    54   0.09850  1.0 1.0
   41    42    45    54   0.15250 -1.0 2.0
   41    42    45    54  -0.50650  1.0 3.0
   41    42    50    51   0.00000  1.0 1.0
   41    42    50    52   0.00000  1.0 1.0
   41    42    50    53   0.00000  1.0 1.0
   41    43   -48    33   0.34400  1.0 1.0
   41    43   -48    33   0.09450 -1.0 2.0
   41    43   -48    33   0.11100  1.0 3.0
   41    43    48    49   0.61850  1.0 1.0
   41    43    48    49  -0.22750 -1.0 2.0
   41    43    48    49   0.15300  1.0 3.0
   41    43    48    56   0.34400  1.0 1.0
   41    43    48    56   0.09450 -1.0 2.0
   41    43    48    56   0.11100  1.0 3.0
   42    41    43    76   0.09850  1.0 1.0
   42    41    43    76   0.15250 -1.0 2.0
   42    41    43    76  -0.50650  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    48   0.09850  1.0 1.0
   42    41    43    48   0.15250 -1.0 2.0
   42    41    43    48  -0.50650  1.0 3.0
   42    45    54    55   0.15000  1.0 3.0
   42    45    54    60   0.34400  1.0 1.0
   42    45    54    60   0.09450 -1.0 2.0
   42    45    54    60   0.11100  1.0 3.0
   42    45    54    62   0.61850  1.0 1.0
   42    45    54    62  -0.22750 -1.0 2.0
   42    45    54    62   0.15300  1.0 3.0
   45    42    50    51   0.34800  1.0 3.0
   45    42    50    52   0.34800  1.0 3.0
   45    42    50    53   0.34800  1.0 3.0
   45    54    60    61   0.15000  1.0 3.0
   45    54    60    63   0.34400  1.0 1.0
   45    54    60    63   0.09450 -1.0 2.0
   45    54    60    63   0.11100  1.0 3.0
   45    54    60    76   0.56750  1.0 1.0
   45    54    60    76  -0.07550 -1.0 2.0
   45    54    60    76   0.20000  1.0 3.0
   45    54    62    64  -0.25900  1.0 1.0
   45    54    62    64  -0.47000 -1.0 2.0
   45    54    62    64   0.11750  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    60   0.15000  1.0 3.0
   46    45    54    62   0.23400  1.0 3.0
   47    45    54    55   0.15000  1.0 3.0
   47    45    54    60   0.15000  1.0 3.0
   47    45    54    62   0.23400  1.0 3.0
   54    60    63    66   0.09700  1.0 1.0
   54    60    63    66   0.15600 -1.0 2.0
   54    60    63    66  -0.50800  1.0 3.0
   54    60    63    68   0.09850  1.0 1.0
   54    60    63    68   0.15250 -1.0 2.0
   54    60    63    68  -0.50650  1.0 3.0
   54    60    76    75   0.62750  1.0 1.0
   54    60    76    75  -0.30950 -1.0 2.0
   54    60    76    75   0.27300  1.0 3.0
   54    60    76    77   0.15000  1.0 3.0
   54    60    76    43   0.56750  1.0 1.0
   54    60    76    43  -0.07550 -1.0 2.0
   54    60    76    43   0.20000  1.0 3.0
   54    62    64    65   3.00000 -1.0 2.0
   54    62    64    71   1.63150  1.0 1.0
   54    62    64    71   2.92000 -1.0 2.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   55    54    60    76   0.15000  1.0 3.0
   55    54    62    64   0.08050  1.0 3.0
   60    54    62    64  -0.25900  1.0 1.0
   60    54    62    64  -0.47000 -1.0 2.0
   60    54    62    64   0.11750  1.0 3.0
   60    63    66    67  -0.64400  1.0 1.0
   60    63    66    67   0.26850 -1.0 2.0
   60    63   -66    75  -0.15000  1.0 1.0
   60    63   -66    75   0.89550 -1.0 2.0
   60    63   -66    75  -0.06900  1.0 3.0
   60    63    68    69   7.00000 -1.0 2.0
   60    63    68    70   7.00000 -1.0 2.0
   60    76    43    41   0.34400  1.0 1.0
   60    76    43    41   0.09450 -1.0 2.0
   60    76    43    41   0.11100  1.0 3.0
   60    76    43    44   0.15000  1.0 3.0
   60    76    43    48   0.56750  1.0 1.0
   60    76    43    48  -0.07550 -1.0 2.0
   60    76    43    48   0.20000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    63    68   0.00000  1.0 1.0
   61    60    76    75   0.23400  1.0 3.0
   61    60    76    77   0.15000  1.0 3.0
   61    60    76    43   0.15000  1.0 3.0
   63    60   -76    75   0.61850  1.0 1.0
   63    60   -76    75  -0.22750 -1.0 2.0
   63    60   -76    75   0.15300  1.0 3.0
   63    60    76    77   0.15000  1.0 3.0
   63    60    76    43   0.34400  1.0 1.0
   63    60    76    43   0.09450 -1.0 2.0
   63    60    76    43   0.11100  1.0 3.0
   63    66   -75    76   2.00000 -1.0 2.0
   66    63    68    69   7.00000 -1.0 2.0
   66    63    68    70   7.00000 -1.0 2.0
   66    75   -76    60  -0.25900  1.0 1.0
   66    75   -76    60  -0.47000 -1.0 2.0
   66    75   -76    60   0.11750  1.0 3.0
   66    75    76    77   0.08050  1.0 3.0
   66    75    76    43  -0.25900  1.0 1.0
   66    75    76    43  -0.47000 -1.0 2.0
   66    75    76    43   0.11750  1.0 3.0
   67    66    75    76   3.00000 -1.0 2.0
   75    76    43    41   0.61850  1.0 1.0
   75    76    43    41  -0.22750 -1.0 2.0
   75    76    43    41   0.15300  1.0 3.0
   75    76    43    44   0.23400  1.0 3.0
   75    76    43    48   0.62750  1.0 1.0
   75    76    43    48  -0.30950 -1.0 2.0
   75    76    43    48   0.27300  1.0 3.0
   76    60   -63    66   0.09700  1.0 1.0
   76    60   -63    66   0.15600 -1.0 2.0
   76    60   -63    66  -0.50800  1.0 3.0
   76    60    63    68   0.09850  1.0 1.0
   76    60    63    68   0.15250 -1.0 2.0
   76    60    63    68  -0.50650  1.0 3.0
   76    43    48    33   0.56750  1.0 1.0
   76    43    48    33  -0.07550 -1.0 2.0
   76    43    48    33   0.20000  1.0 3.0
   76    43    48    49   0.62750  1.0 1.0
   76    43    48    49  -0.30950 -1.0 2.0
   76    43    48    49   0.27300  1.0 3.0
   76    43    48    56   0.56750  1.0 1.0
   76    43    48    56  -0.07550 -1.0 2.0
   76    43    48    56   0.20000  1.0 3.0
   77    76    43    41   0.15000  1.0 3.0
   77    76    43    44   0.15000  1.0 3.0
   77    76    43    48   0.15000  1.0 3.0
   43    41    42    45   7.00000 -1.0 2.0
   43    41    42    50   7.00000 -1.0 2.0
   43    48    56    57   0.15000  1.0 3.0
   43    48    56    58   0.15000  1.0 3.0
   43    48    56    59   0.15000  1.0 3.0
   44    43    48    33   0.15000  1.0 3.0
   44    43    48    49   0.23400  1.0 3.0
   44    43    48    56   0.15000  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41   0.34400  1.0 1.0
   48    33   -38    41   0.09450 -1.0 2.0
   48    33   -38    41   0.11100  1.0 3.0
   49    48    56    57   0.23400  1.0 3.0
   49    48    56    58   0.23400  1.0 3.0
   49    48    56    59   0.23400  1.0 3.0
   68    63    66    67   1.00000 -1.0 2.0
   68    63    66    75  -0.56150  1.0 1.0
   68    63    66    75   2.19150 -1.0 2.0
   62    54    60    61   0.23400  1.0 3.0
   62    54    60    63   0.61850  1.0 1.0
   62    54    60    63  -0.22750 -1.0 2.0
   62    54    60    63   0.15300  1.0 3.0
   62    54    60    76   0.62750  1.0 1.0
   62    54    60    76  -0.30950 -1.0 2.0
   62    54    60    76   0.27300  1.0 3.0
   62    64    71    72   0.00000  1.0 1.0
   62    64    71    73   0.00000  1.0 1.0
   62    64    71    74   0.00000  1.0 1.0
   65    64    71    72   0.00000  1.0 1.0
   65    64    71    73   0.00000  1.0 1.0
   65    64    71    74   0.00000  1.0 1.0
   50    42    45    46   0.34800  1.0 3.0
   50    42    45    47   0.34800  1.0 3.0
   50    42    45    54   0.46850  1.0 1.0
   50    42    45    54   0.08550 -1.0 2.0
   50    42    45    54   0.09800  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    43    41    42   1.10000 -1.0 2.0
   45    50    42    41   1.10000 -1.0 2.0
   60    66    63    68   1.10000 -1.0 2.0
   63    75    66    67  10.50000 -1.0 2.0
   69    70    68    63   1.10000 -1.0 2.0
   62    71    64    65  10.50000 -1.0 2.0
END
