* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    145    215     425
    1     0 S   NP   _N1_     1    28.87856    92.83228   -18.02693
    2     1 S   H    _HN1     2     1.02997   122.80334    32.87469
    3     1 S   H    _H1_     3     1.02988    38.80588   107.56166
    4     1 S   H    _H2_     4     1.02734    69.27334   -65.07074
    5     1 S   CT   _CA1     5     1.50287   121.79712  -169.15512
    6     5 S   HC   _HA1     6     1.09693   104.34567    26.04515
    7     5 S   CO3  _C1_     7     1.54532   111.66884   -89.56398
    8     7 S   O2Z  _O11     8     1.26124   116.82182  -123.88365
    9     7 S   O2Z  _O12     9     1.26584   113.76660    55.90710
   10     5 S   CT   _CB1    10     1.53160   107.55650   142.32875
   11    10 S   HC   HB11    11     1.09817   110.44535   -37.61192
   12    10 S   HC   HB12    12     1.09708   110.40541    79.26581
   13    10 S   CT   _CG1    13     1.52972   111.74175  -157.98153
   14    13 S   HC   HG11    14     1.09511   111.54111   -50.05451
   15    13 S   HC   HG12    15     1.09639   110.36971    68.23864
   16    13 S   C    _CD1    16     1.51391   110.57930  -172.29470
   17    16 S   O    _OE1    17     1.22856   121.70219   -82.69534
   18    16 S   N    _N2_    18     1.38293   112.93555    96.46647
   19    18 S   H    _HN2    19     1.01581   119.22918     2.66411
   20    18 S   CT1  _CA2    20     1.45974   122.95759   176.99378
   21    20 S   HC   _HA2    21     1.09723   108.82697    29.33593
   22    20 S   C    _C2_    22     1.52974   106.90375   -87.82075
   23    22 S   O    _O2_    23     1.23000   123.04335   -28.72061
   24    20 S   CT   _CB2    32     1.53223   111.97096   152.86149
   25    24 S   HC   HB21    33     1.09383   109.38217    54.22206
   26    24 S   HC   HB22    34     1.09549   110.40683   172.34537
   27    22 S   N    _N3_    24     1.38526   112.64243   153.80763
   28    27 S   H    _HN3    25     1.01656   120.34213    -1.47260
   29    24 S   S    _SG2    35     1.83155   110.43781   -68.67911
   30    27 S   CT   _CA3    26     1.45346   122.35539   178.73917
   31    30 S   HC   HA31    27     1.09573   107.56984   -59.98652
   32    30 S   HC   HA32    28     1.09569   107.80340    56.27871
   33    29 S   CT   _C13    36     1.87896   102.87992   150.76089
   34    33 S   OM   _O34    37     1.32234   110.31739    44.29187
   35    30 S   CO3  _C3_    29     1.52868   114.48166   178.12414
   36    35 S   O2Z  _O31    30     1.26314   116.13786    -4.05541
   37    35 S   O2Z  _O32    31     1.26457   114.38511   176.03454
   38    33 S   CM   _C8_    38     1.60479   106.02753   165.25869
   39    38 S   CT   _C9_    39     1.57430   114.46091    92.61196
   40    38 S   CMA  _C7_    71     1.38540   122.55102   -82.53743
   41    40 S   OM   _O40    72     1.26855   130.34749     0.23155
   42    39 S   CT   _C10    40     1.53621   112.84510    34.48355
   43    42 S   HC   _H9_    41     1.09646   111.53714  -179.92598
   44    42 S   HC   _H10    42     1.10106   109.54517    67.31432
   45    39 S   CT   _C14    50     1.55153   108.88796   -91.75287
   46    45 S   HC   _H14    51     1.09593   111.39620   -70.43102
   47    45 S   HC   _H15    52     1.09140   110.87133    47.67897
   48    39 S   OH   _O39    69     1.43692   111.03586   149.78735
   49    48 S   HO   _H22    70     0.97332   108.00676   172.90245
   50    40 S   CT   _C6_    73     1.53445   122.46091   176.04383
   51    50 S   HC   _H7_    74     1.09260   111.95296   -33.28958
   52    50 S   HC   _H8_    75     1.10184   111.63262  -149.05728
   53    42 S   CT   _C11    43     1.51068   112.71067   -55.24869
   54    53 S   HC   _H3_    44     1.09369   111.73312   -56.46575
   55    45 S   CO4  _C15    53     1.52416   114.86253   169.50146
   56    55 S   O    _O36    54     1.23107   121.14051    52.78314
   57    50 S   CO4  _C5_    76     1.53217   113.69080    90.33696
   58    57 S   O    _O33    77     1.23037   124.09047     6.08644
   59    33 S   CT   _C12    45     1.55695   109.10380   -69.88524
   60    59 S   HC   _H11    46     1.10424   110.54422   161.40763
   61    59 S   HC   _H12    47     1.09885   112.65728    46.52306
   62    53 S   OH   _O35    48     1.42519   108.47713  -174.91146
   63    62 S   HO   _H13    49     0.97567   107.13022   158.85076
   64    55 S   CT   _C16    55     1.53138   115.80230  -130.72997
   65    64 S   HC   _H16    56     1.09957   105.80883   -80.86588
   66    64 S   HC   _H17    57     1.09772   108.54992    33.05279
   67    57 S   CT   _C4_    78     1.50823   115.48400  -174.60326
   68    67 S   HC   _H4_    79     1.09279   109.57369    60.54550
   69    67 S   HC   _H5_    80     1.09354   109.74858   179.96044
   70    67 S   HC   _H6_    81     1.09270   109.57297   -60.53272
   71    64 S   CMA  _C17    58     1.52639   114.95919   153.45654
   72    71 S   OM   _O38    59     1.26190   110.98278   128.40333
   73    71 S   CM   _C18    60     1.35211   117.01801   -54.87228
   74    73 S   HC   _H18    61     1.08547   119.67936     2.11498
   75    73 S   CO4  _C19    62     1.49097   124.20072  -176.34580
   76    75 S   O    _O37    63     1.22233   124.91141     8.28757
   77    75 S   S    _S1_    64     1.76321   112.36505  -172.39845
   78    77 S   CT   _C20    65     1.80548   100.13305  -166.79947
   79    78 S   HC   _H19    66     1.09321   109.28203   178.02702
   80    78 S   HC   _H20    67     1.09336   110.53175    58.65921
   81    78 S   HC   _H21    68     1.09335   110.54685   -62.64603
  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   9   5   4   3
  15   7   2   1   1  20  18  11   4  15   7   6  11   5   4   3
   1   8   4   3   6   5   7   4   5   4   4   2   1   1   1   7
   4   3   3   2   1   1   6   3   5   3   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    53    59    60    61    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    53    54    59    60    61    62    45    48    40    41    50  
   38    39    53    59    60    61    40  
   36    37  
   37  
    0  
   39    42    43    44    53    59    60    61    45    46    47    55    48    49    40    41    50    51    52    57  
   42    43    44    53    54    59    62    45    46    47    55    56    64    48    49    40    41    50  
   41    50    51    52    57    58    67    42    45    48    59  
   50    51    52    57  
   43    44    53    54    59    60    61    62    63    45    46    47    55    48    49  
   44    53    54    59    62    45    48  
   53    54    59    62    45    48  
   46    47    55    56    64    65    66    71    48    49    53  
   47    55    56    64    48  
   55    56    64    48  
   49    53    55  
    0  
   51    52    57    58    67    68    69    70  
   52    57    58    67  
   57    58    67  
   54    59    60    61    62    63  
   59    60    61    62    63  
   56    64    65    66    71    72    73  
   64    65    66    71  
   58    67    68    69    70  
   67    68    69    70  
   60    61    62    63  
   61    62  
   62  
   63  
    0  
   65    66    71    72    73    74    75  
   66    71    72    73  
   71    72    73  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78  
   75    76    77  
   76    77    78    79    80    81  
   77    78  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   72   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   73   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   78   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    59   268.000  1.529
   38    39   317.000  1.510
   38    40   465.000  1.376
   39    42   268.000  1.529
   39    45   268.000  1.529
   39    48   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    53   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    62   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   62    63   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    55   317.000  1.522
   55    56   570.000  1.229
   55    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   270.000  1.512
   71    72   745.000  1.250
   71    73   465.000  1.376
   73    74   340.000  1.080
   73    75   320.000  1.462
   75    76   570.000  1.229
   75    77   210.000  1.799
   77    78   222.000  1.810
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   48    49   553.000  0.945
   40    41   745.000  1.250
   40    50   270.000  1.512
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   317.000  1.522
   57    58   570.000  1.229
   57    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    59    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    40    70.00000  124.00000
   33    59    53    58.35000  112.70000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   38    33    34    85.00000  110.90400
   38    39    42    70.00000  112.02700
   38    39    45    70.00000  112.02700
   38    39    48    90.00000  110.39200
   38    40    41    65.00000  137.10300
   38    40    50    65.00000  122.18000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    53    58.35000  112.70000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    55    63.00000  111.10000
   39    48    49    55.00000  108.50000
   42    53    54    37.50000  110.70000
   42    53    59    58.35000  112.70000
   42    53    62    50.00000  109.50000
   44    42    43    33.00000  107.80000
   53    42    43    37.50000  110.70000
   53    42    44    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    62    63    55.00000  108.50000
   59    33    34    50.00000  109.50000
   59    33    38    70.00000  112.02700
   59    53    54    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    53    54    35.00000  109.50000
   62    53    59    50.00000  109.50000
   45    39    42    58.35000  112.70000
   45    55    56    80.00000  120.40000
   45    55    64    70.00000  116.00000
   47    45    46    33.00000  107.80000
   55    45    46    35.00000  109.50000
   55    45    47    35.00000  109.50000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    71    70.00000  109.06800
   64    55    56    80.00000  120.40000
   64    71    72    85.00000  112.85300
   64    71    73    65.00000  122.18000
   66    64    65    33.00000  107.80000
   71    64    65    45.00000  110.52000
   71    64    66    45.00000  110.52000
   71    73    74    40.00000  120.50800
   71    73    75    60.00000  125.92000
   73    71    72    65.00000  137.10300
   73    75    76    80.00000  123.72100
   73    75    77    65.00000  119.00000
   75    73    74    40.00000  117.72500
   75    77    78    90.00000   96.72000
   77    75    76    80.00000  121.30200
   77    78    79    35.00000  109.50000
   77    78    80    35.00000  109.50000
   77    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   48    39    42    50.00000  109.50000
   48    39    45    50.00000  109.50000
   40    38    39    70.00000  124.00000
   40    50    51    45.00000  110.52000
   40    50    52    45.00000  110.52000
   40    50    57    70.00000  109.06800
   50    40    41    85.00000  112.85300
   50    57    58    80.00000  120.40000
   50    57    67    70.00000  116.00000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    67    68    35.00000  109.50000
   57    67    69    35.00000  109.50000
   57    67    70    35.00000  109.50000
   67    57    58    80.00000  120.40000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    59    53   0.44750  1.0 1.0
   29    33    59    53  -0.17800 -1.0 2.0
   29    33    59    53   0.20200  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   33    38    39    42   0.46850  1.0 1.0
   33    38    39    42   0.08550 -1.0 2.0
   33    38    39    42   0.09800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    39    48   0.18000  1.0 1.0
   33    38    39    48   0.16450 -1.0 2.0
   33    38    39    48   0.04450  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    50   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    59    53   0.62750  1.0 1.0
   34    33    59    53  -0.30950 -1.0 2.0
   34    33    59    53   0.27300  1.0 3.0
   34    33    59    60   0.23400  1.0 3.0
   34    33    59    61   0.23400  1.0 3.0
   38    33    59    53   0.34400  1.0 1.0
   38    33    59    53   0.09450 -1.0 2.0
   38    33    59    53   0.11100  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    61   0.15000  1.0 3.0
   38    39    42    43   0.15000  1.0 3.0
   38    39    42    44   0.15000  1.0 3.0
   38    39   -42    53   0.34400  1.0 1.0
   38    39   -42    53   0.09450 -1.0 2.0
   38    39   -42    53   0.11100  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39    45    47   0.15000  1.0 3.0
   38    39    45    55  -0.98800  1.0 1.0
   38    39    45    55   0.48800 -1.0 2.0
   38    39    45    55   0.76800  1.0 3.0
   38    39    48    49  -0.07800  1.0 1.0
   38    39    48    49  -0.21500 -1.0 2.0
   38    39    48    49  -0.03150  1.0 3.0
   38    40    50    51   0.00000  1.0 1.0
   38    40    50    52   0.00000  1.0 1.0
   38    40    50    57  -0.51250  1.0 1.0
   38    40    50    57  -0.88800 -1.0 2.0
   38    40    50    57   0.08850  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    50   7.00000 -1.0 2.0
   39    42    53    54   0.15000  1.0 3.0
   39    42    53    59   0.56750  1.0 1.0
   39    42    53    59  -0.07550 -1.0 2.0
   39    42    53    59   0.20000  1.0 3.0
   39    42    53    62   0.86500  1.0 1.0
   39    42    53    62  -0.17500 -1.0 2.0
   39    42    53    62   0.20800  1.0 3.0
   39    45    55    56   0.30150 -1.0 2.0
   39    45    55    64   0.60050  1.0 1.0
   39    45    55    64   0.05600 -1.0 2.0
   39    45    55    64   0.26150  1.0 3.0
   42    39    45    46   0.15000  1.0 3.0
   42    39    45    47   0.15000  1.0 3.0
   42    39    45    55  -0.95700  1.0 1.0
   42    39    45    55  -0.18200 -1.0 2.0
   42    39    45    55   0.29450  1.0 3.0
   42    39    48    49  -0.11600  1.0 1.0
   42    39    48    49  -0.09450 -1.0 2.0
   42    39    48    49   0.21250  1.0 3.0
   42    53   -59    33   0.56750  1.0 1.0
   42    53   -59    33  -0.07550 -1.0 2.0
   42    53   -59    33   0.20000  1.0 3.0
   42    53    59    60   0.15000  1.0 3.0
   42    53    59    61   0.15000  1.0 3.0
   42    53    62    63  -0.11600  1.0 1.0
   42    53    62    63  -0.09450 -1.0 2.0
   42    53    62    63   0.21250  1.0 3.0
   43    42    53    54   0.15000  1.0 3.0
   43    42    53    59   0.15000  1.0 3.0
   43    42    53    62   0.23400  1.0 3.0
   44    42    53    54   0.15000  1.0 3.0
   44    42    53    59   0.15000  1.0 3.0
   44    42    53    62   0.23400  1.0 3.0
   54    53    59    33   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    62    63   0.19450  1.0 3.0
   59    33   -38    39   0.46850  1.0 1.0
   59    33   -38    39   0.08550 -1.0 2.0
   59    33   -38    39   0.09800  1.0 3.0
   59    33    38    40   0.09850  1.0 1.0
   59    33    38    40   0.15250 -1.0 2.0
   59    33    38    40  -0.50650  1.0 3.0
   59    53    62    63  -0.11600  1.0 1.0
   59    53    62    63  -0.09450 -1.0 2.0
   59    53    62    63   0.21250  1.0 3.0
   62    53    59    33   0.86500  1.0 1.0
   62    53    59    33  -0.17500 -1.0 2.0
   62    53    59    33   0.20800  1.0 3.0
   62    53    59    60   0.23400  1.0 3.0
   62    53    59    61   0.23400  1.0 3.0
   45    39    42    43   0.15000  1.0 3.0
   45    39    42    44   0.15000  1.0 3.0
   45    39    42    53   0.56750  1.0 1.0
   45    39    42    53  -0.07550 -1.0 2.0
   45    39    42    53   0.20000  1.0 3.0
   45    39    48    49  -0.11600  1.0 1.0
   45    39    48    49  -0.09450 -1.0 2.0
   45    39    48    49   0.21250  1.0 3.0
   45    55    64    65   0.00000  1.0 1.0
   45    55    64    66   0.00000  1.0 1.0
   45    55    64    71   0.65300  1.0 1.0
   45    55    64    71  -0.03850 -1.0 2.0
   45    55    64    71   0.33900  1.0 3.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    64   0.00000  1.0 1.0
   47    45    55    56   0.00000  1.0 1.0
   47    45    55    64   0.00000  1.0 1.0
   55    64    71    72   0.09700  1.0 1.0
   55    64    71    72   0.15600 -1.0 2.0
   55    64    71    72  -0.50800  1.0 3.0
   55    64    71    73  -0.51250  1.0 1.0
   55    64    71    73  -0.88800 -1.0 2.0
   55    64    71    73   0.08850  1.0 3.0
   56    55    64    65   0.00000  1.0 1.0
   56    55    64    66   0.00000  1.0 1.0
   56    55    64    71   0.30150 -1.0 2.0
   64    71    73    74   7.00000 -1.0 2.0
   64    71    73    75   7.00000 -1.0 2.0
   65    64    71    72   0.00000  1.0 1.0
   65    64    71    73   0.00000  1.0 1.0
   66    64    71    72   0.00000  1.0 1.0
   66    64    71    73   0.00000  1.0 1.0
   71    73    75    76   1.00000 -1.0 2.0
   71    73    75    77   0.50400  1.0 1.0
   71    73    75    77   1.60000 -1.0 2.0
   71    73    75    77  -0.01800  1.0 3.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    75   7.00000 -1.0 2.0
   73    75    77    78  -0.11550  1.0 1.0
   73    75    77    78   1.88700 -1.0 2.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.92800 -1.0 2.0
   75    77    78    79   0.24000  1.0 3.0
   75    77    78    80   0.24000  1.0 3.0
   75    77    78    81   0.24000  1.0 3.0
   76    75    77    78  -0.11550  1.0 1.0
   76    75    77    78   1.88700 -1.0 2.0
   48    39    42    43   0.23400  1.0 3.0
   48    39    42    44   0.23400  1.0 3.0
   48    39    42    53   0.86500  1.0 1.0
   48    39    42    53  -0.17500 -1.0 2.0
   48    39    42    53   0.20800  1.0 3.0
   48    39    45    46   0.23400  1.0 3.0
   48    39    45    47   0.23400  1.0 3.0
   48    39    45    55  -0.09450  1.0 1.0
   48    39    45    55  -1.12950 -1.0 2.0
   48    39    45    55   0.54000  1.0 3.0
   40    38    39    42   0.09850  1.0 1.0
   40    38    39    42   0.15250 -1.0 2.0
   40    38    39    42  -0.50650  1.0 3.0
   40    38    39    45   0.09850  1.0 1.0
   40    38    39    45   0.15250 -1.0 2.0
   40    38    39    45  -0.50650  1.0 3.0
   40    38    39    48   0.67800  1.0 1.0
   40    38    39    48   0.47050 -1.0 2.0
   40    38    39    48  -0.62500  1.0 3.0
   40    50    57    58   0.30150 -1.0 2.0
   40    50    57    67   0.65300  1.0 1.0
   40    50    57    67  -0.03850 -1.0 2.0
   40    50    57    67   0.33900  1.0 3.0
   41    40    50    51   0.00000  1.0 1.0
   41    40    50    52   0.00000  1.0 1.0
   41    40    50    57   0.09700  1.0 1.0
   41    40    50    57   0.15600 -1.0 2.0
   41    40    50    57  -0.50800  1.0 3.0
   50    57    67    68   0.00000  1.0 1.0
   50    57    67    69   0.00000  1.0 1.0
   50    57    67    70   0.00000  1.0 1.0
   51    50    57    58   0.00000  1.0 1.0
   51    50    57    67   0.00000  1.0 1.0
   52    50    57    58   0.00000  1.0 1.0
   52    50    57    67   0.00000  1.0 1.0
   58    57    67    68   0.00000  1.0 1.0
   58    57    67    69   0.00000  1.0 1.0
   58    57    67    70   0.00000  1.0 1.0
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
   33    39    38    40   1.10000 -1.0 2.0
   45    64    55    56  10.50000 -1.0 2.0
   64    72    71    73  15.00000 -1.0 2.0
   75    74    73    71  15.00000 -1.0 2.0
   73    77    75    76  10.50000 -1.0 2.0
   50    41    40    38   1.10000 -1.0 2.0
   50    67    57    58  10.50000 -1.0 2.0
END
