* LIGAND DATABASE FILE (OPLS2005)
*
001      80    79    139    204     410
    1     0 S   NP   _N1_     1    29.13880    97.00547   -23.28887
    2     1 S   H    _HN1     2     1.02784   106.77798  -112.64477
    3     1 S   H    _H1_     3     1.02953    71.64292    -8.41552
    4     1 S   H    _H2_     4     1.02832    38.00152   149.58773
    5     1 S   CT   _CA1     5     1.50117   137.26971    92.09570
    6     5 S   HC   _HA1     6     1.09572   105.23609    92.92648
    7     5 S   CO3  _C1_     7     1.53779   112.34933   -27.34751
    8     7 S   O2Z  _O11     8     1.26368   114.99858   -45.00367
    9     7 S   O2Z  _O12     9     1.26231   114.93191   134.12511
   10     5 S   CT   _CB1    10     1.53076   107.42324  -149.12693
   11    10 S   HC   HB11    11     1.09831   109.37448   -50.28336
   12    10 S   HC   HB12    12     1.09820   110.42782    66.27565
   13    10 S   CT   _CG1    13     1.53027   112.65592  -171.31841
   14    13 S   HC   HG11    14     1.09589   110.55012   -63.92084
   15    13 S   HC   HG12    15     1.09652   109.91295    55.34021
   16    13 S   C    _CD1    16     1.51789   112.17823   175.75633
   17    16 S   O    _OE1    17     1.22711   123.18511     1.93563
   18    16 S   N    _N2_    18     1.38534   111.79165  -178.24231
   19    18 S   H    _HN2    19     1.01578   119.01934     4.24316
   20    18 S   CT1  _CA2    20     1.45932   122.93340   178.32825
   21    20 S   HC   _HA2    21     1.09407   109.61375    24.42977
   22    20 S   C    _C2_    22     1.52657   104.55011   -93.64283
   23    22 S   O    _O2_    23     1.23081   122.12781   -71.12921
   24    20 S   CT   _CB2    32     1.53185   111.68831   147.93963
   25    24 S   HC   HB21    33     1.09640   110.29309    54.49439
   26    24 S   HC   HB22    34     1.09533   110.99976   172.32200
   27    22 S   N    _N3_    24     1.38443   113.49628   105.15266
   28    27 S   H    _HN3    25     1.01794   120.01909    -1.53174
   29    24 S   S    _SG2    35     1.82727   113.00562   -64.59501
   30    27 S   CT   _CA3    26     1.45378   121.78853  -178.45161
   31    30 S   HC   HA31    27     1.09598   108.26827   -50.10998
   32    30 S   HC   HA32    28     1.09595   107.69711    65.53299
   33    29 S   CT   _C16    36     1.82613    99.56264   -79.03894
   34    33 S   HC   _H19    37     1.09480   106.98682   -60.85896
   35    33 S   HC   _H20    38     1.09282   109.07018    56.26611
   36    30 S   CO3  _C3_    29     1.52555   113.02375  -173.16046
   37    36 S   O2Z  _O31    30     1.26350   115.10606   -75.27666
   38    36 S   O2Z  _O32    31     1.26357   115.17876   104.78420
   39    33 S   CT   _C15    39     1.53707   113.46855   179.01802
   40    39 S   HC   _H5_    40     1.09685   107.00129   179.19985
   41    39 S   CT   _C14    41     1.53088   115.08947   -60.50691
   42    41 S   HC   _H17    42     1.09534   111.24556    65.32712
   43    41 S   HC   _H18    43     1.09757   110.73230  -178.25381
   44    39 S   OH   _O39    79     1.42652   110.75724    63.19198
   45    44 S   HO   _H21    80     0.97246   107.69820    53.13743
   46    41 S   OS   _O38    44     1.43611   111.12013   -54.63623
   47    46 S   CO4  _C13    45     1.36710   117.03004   -84.38001
   48    47 S   O    _O37    46     1.22419   125.31866    -3.21004
   49    47 S   CT1  _C12    47     1.52428   109.33925   177.31278
   50    49 S   HC   _H4_    48     1.09656   107.27381    60.90354
   51    49 S   CT   _C4_    49     1.53526   111.90387   -59.29235
   52    51 S   HC   _H6_    50     1.09819   109.34503   174.74943
   53    51 S   HC   _H7_    51     1.09698   109.00518    59.51160
   54    49 S   NT   _N6_    76     1.46438   108.95787   177.62241
   55    54 S   H    _H22    77     1.01965   109.61395   -59.95626
   56    54 S   H    _H23    78     1.01922   109.59302  -176.36159
   57    51 S   CT   _C5_    52     1.53233   114.32785   -62.73560
   58    57 S   HC   _H8_    53     1.09584   110.59364   -68.77408
   59    57 S   HC   _H9_    54     1.09595   110.35652    50.61236
   60    57 S   C    _C6_    55     1.51771   111.90451   170.95621
   61    60 S   O    _O33    56     1.22740   123.21900    12.08839
   62    60 S   N    _N4_    57     1.38511   111.93093  -168.20664
   63    62 S   H    _H10    58     1.01557   119.29221     3.69835
   64    62 S   CT1  _C7_    59     1.45778   122.82794   175.32995
   65    64 S   HC   _H3_    60     1.09490   107.48163    23.58547
   66    64 S   C    _C9_    61     1.53134   108.47129   -92.14145
   67    66 S   O    _O34    62     1.23009   122.90483   -16.14642
   68    64 S   CT   _C8_    71     1.53120   112.24600   142.43773
   69    68 S   HC   _H11    72     1.09477   110.71338  -179.09756
   70    68 S   HC   _H12    73     1.09537   109.75588   -60.52879
   71    66 S   N    _N5_    63     1.38457   112.88592   165.07250
   72    71 S   H    _H14    64     1.01818   120.07580    -5.23806
   73    68 S   SH   _S1_    74     1.82341   113.67979    59.61882
   74    73 S   HS   _H13    75     1.34109    96.43231   179.01146
   75    71 S   CT   _C10    65     1.45368   122.38688   179.17813
   76    75 S   HC   _H15    66     1.09565   108.50752   -41.83097
   77    75 S   HC   _H16    67     1.09527   107.06193    74.47575
   78    75 S   CO3  _C11    68     1.52831   114.68219  -164.06760
   79    78 S   O2Z  _O36    69     1.26266   116.27318     7.98923
   80    78 S   O2Z  _O35    70     1.26497   114.31313  -172.44498
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1   8   6   8   4   3   2   1   6  10   4
  11   7  11   6   5   3   1   1   7   4   3   7   3  10   4  11
   7  11   4   5   3   2   7   4   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    44    45  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    46    47    44    45  
   41    42    43    46    44    45  
   42    43    46    47    48    49    44    45  
   43    46    47    44  
   46    47    44  
   45    46  
    0  
   47    48    49    50    51    54  
   48    49    50    51    52    53    57    54    55    56  
   49    50    51    54  
   50    51    52    53    57    58    59    60    54    55    56  
   51    52    53    57    54    55    56  
   52    53    57    58    59    60    61    62    54    55    56  
   53    57    58    59    60    54  
   57    58    59    60    54  
   55    56    57  
   56  
    0  
   58    59    60    61    62    63    64  
   59    60    61    62  
   60    61    62  
   61    62    63    64    65    66    68  
   62    63    64  
   63    64    65    66    67    71    68    69    70    73  
   64    65    66    68  
   65    66    67    71    72    75    68    69    70    73    74  
   66    67    71    68    69    70    73  
   67    71    72    75    76    77    78    68    69    70    73  
   71    72    75    68  
   69    70    73    74    71  
   70    73    74  
   73    74  
   72    75    76    77    78    79    80  
   75    76    77    78  
   74  
    0  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   55   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   56   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.5000   0.0660   0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   72   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   73   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   74   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    44   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   320.000  1.410
   46    47   214.000  1.327
   47    48   570.000  1.229
   47    49   255.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   305.000  1.457
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   317.000  1.522
   60    61   570.000  1.229
   60    62   490.000  1.335
   62    63   434.000  1.010
   62    64   337.000  1.449
   64    65   340.000  1.090
   64    66   317.000  1.522
   64    68   268.000  1.529
   66    67   570.000  1.229
   66    71   490.000  1.335
   71    72   434.000  1.010
   71    75   337.000  1.449
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.522
   78    79   656.000  1.250
   78    80   656.000  1.250
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   222.000  1.810
   73    74   274.000  1.336
   54    55   434.000  1.010
   54    56   434.000  1.010
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    44    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    46    50.00000  109.50000
   39    44    45    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    46    47    83.00000  116.90000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    47    48    83.00000  123.40000
   46    47    49    90.00000  109.72300
   47    49    50    45.00000  110.09800
   47    49    51    70.00000  110.61500
   47    49    54    75.00000  112.91400
   49    47    48    75.00000  123.42600
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    57    58.35000  112.70000
   49    54    55    50.00000  111.55300
   49    54    56    50.00000  111.55300
   51    49    50    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    63.00000  111.10000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    60    61    80.00000  120.40000
   57    60    62    70.00000  116.60000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    62    63    35.00000  119.80000
   60    62    64    50.00000  121.90000
   62    60    61    80.00000  122.90000
   62    64    65    35.00000  109.50000
   62    64    66    63.00000  110.10000
   62    64    68    80.00000  109.70000
   64    62    63    38.00000  118.40000
   64    66    67    80.00000  120.40000
   64    66    71    70.00000  116.60000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    73    50.00000  108.60000
   66    64    65    35.00000  109.50000
   66    71    72    35.00000  119.80000
   66    71    75    50.00000  121.90000
   71    66    67    80.00000  122.90000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    63.00000  110.10000
   75    71    72    38.00000  118.40000
   75    78    79    70.00000  117.00000
   75    78    80    70.00000  117.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   80    78    79    80.00000  126.00000
   68    64    65    37.50000  110.70000
   68    64    66    63.00000  111.10000
   68    73    74    44.00000   96.00000
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   54    49    50    50.00000  109.55000
   54    49    51    80.00000  111.22000
   56    54    55    43.60000  106.40000
   44    39    40    35.00000  109.50000
   44    39    41    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    46   0.62750  1.0 1.0
   33    39    41    46  -0.30950 -1.0 2.0
   33    39    41    46   0.27300  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    44   0.23400  1.0 3.0
   39    41    46    47  -0.25900  1.0 1.0
   39    41    46    47  -0.47000 -1.0 2.0
   39    41    46    47   0.11750  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45  -0.11600  1.0 1.0
   41    39    44    45  -0.09450 -1.0 2.0
   41    39    44    45   0.21250  1.0 3.0
   41    46    47    48   3.00000 -1.0 2.0
   41    46    47    49   1.63150  1.0 1.0
   41    46    47    49   2.92000 -1.0 2.0
   42    41    46    47   0.08050  1.0 3.0
   43    41    46    47   0.08050  1.0 3.0
   46    47    49    50   0.00000  1.0 1.0
   46    47    49    51   0.36750  1.0 3.0
   46    47    49    54   0.40000  1.0 3.0
   47    49    51    52  -0.03800  1.0 3.0
   47    49    51    53  -0.03800  1.0 3.0
   47    49    51    57  -0.84850  1.0 1.0
   47    49    51    57  -0.22800 -1.0 2.0
   47    49    51    57   0.29250  1.0 3.0
   47    49    54    55   0.21900  1.0 1.0
   47    49    54    55  -0.24900 -1.0 2.0
   47    49    54    55   0.15200  1.0 3.0
   47    49    54    56   0.21900  1.0 1.0
   47    49    54    56  -0.24900 -1.0 2.0
   47    49    54    56   0.15200  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    49    54   0.30150 -1.0 2.0
   49    51    57    58   0.15000  1.0 3.0
   49    51    57    59   0.15000  1.0 3.0
   49    51    57    60  -0.84850  1.0 1.0
   49    51    57    60  -0.22800 -1.0 2.0
   49    51    57    60   0.29250  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    57   0.15000  1.0 3.0
   50    49    54    55   0.20000  1.0 3.0
   50    49    54    56   0.20000  1.0 3.0
   51    49    54    55  -0.05950  1.0 1.0
   51    49    54    55   0.08850 -1.0 2.0
   51    49    54    55   0.11750  1.0 3.0
   51    49    54    56  -0.05950  1.0 1.0
   51    49    54    56   0.08850 -1.0 2.0
   51    49    54    56   0.11750  1.0 3.0
   51    57    60    61   0.30150 -1.0 2.0
   51    57    60    62   1.39750  1.0 1.0
   51    57    60    62  -0.07950 -1.0 2.0
   51    57    60    62  -0.18750  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    60  -0.11250  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    60  -0.11250  1.0 3.0
   57    60    62    63   2.45000 -1.0 2.0
   57    60    62    64   1.15000  1.0 1.0
   57    60    62    64   3.04450 -1.0 2.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   59    57    60    62   0.00000  1.0 1.0
   60    62    64    65   0.00000  1.0 1.0
   60    62    64    66  -0.29800  1.0 1.0
   60    62    64    66   0.13950 -1.0 2.0
   60    62    64    66  -2.45650  1.0 3.0
   60    62    64    68   0.25950  1.0 1.0
   60    62    64    68   0.43850 -1.0 2.0
   60    62    64    68   2.61650  1.0 3.0
   61    60    62    63   2.45000 -1.0 2.0
   61    60    62    64   3.04450 -1.0 2.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    71   0.37150  1.0 1.0
   62    64    66    71   1.25400 -1.0 2.0
   62    64    66    71  -0.40250  1.0 3.0
   62    64    68    69   0.23200  1.0 3.0
   62    64    68    70   0.23200  1.0 3.0
   62    64    68    73   0.71400  1.0 1.0
   62    64    68    73   0.04300 -1.0 2.0
   62    64    68    73   0.01450  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    68   0.00000  1.0 1.0
   64    66    71    72   2.45000 -1.0 2.0
   64    66    71    75   1.15000  1.0 1.0
   64    66    71    75   3.04450 -1.0 2.0
   64    68    73    74  -0.37950  1.0 1.0
   64    68    73    74  -0.14100 -1.0 2.0
   64    68    73    74   0.30150  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    71   0.00000  1.0 1.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    73   0.22600  1.0 3.0
   66    64    68    69  -0.03800  1.0 3.0
   66    64    68    70  -0.03800  1.0 3.0
   66    64    68    73  -2.17200  1.0 1.0
   66    64    68    73  -0.85700 -1.0 2.0
   66    71    75    76   0.00000  1.0 1.0
   66    71    75    77   0.00000  1.0 1.0
   66    71    75    78  -0.29800  1.0 1.0
   66    71    75    78   0.13950 -1.0 2.0
   66    71    75    78  -2.45650  1.0 3.0
   67    66    71    72   2.45000 -1.0 2.0
   67    66    71    75   3.04450 -1.0 2.0
   71    75    78    79   0.00000  1.0 1.0
   71    75    78    80   0.00000  1.0 1.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    77   0.00000  1.0 1.0
   72    71    75    78   0.00000  1.0 1.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   77    75    78    79   0.00000  1.0 1.0
   77    75    78    80   0.00000  1.0 1.0
   68    64    66    67   0.00000  1.0 1.0
   68    64    66    71   0.93250  1.0 1.0
   68    64    66    71   0.04450 -1.0 2.0
   68    64    66    71   0.17550  1.0 3.0
   69    68    73    74   0.22550  1.0 3.0
   70    68    73    74   0.22550  1.0 3.0
   54    49    51    52   0.15000  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49    51    57   1.53400  1.0 1.0
   54    49    51    57  -0.09950 -1.0 2.0
   54    49    51    57   0.05700  1.0 3.0
   44    39    41    42   0.23400  1.0 3.0
   44    39    41    43   0.23400  1.0 3.0
   44    39    41    46   3.69350  1.0 1.0
   44    39    41    46  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   46    49    47    48  10.50000 -1.0 2.0
   57    62    60    61  10.50000 -1.0 2.0
   63    60    62    64   1.00000 -1.0 2.0
   64    71    66    67  10.50000 -1.0 2.0
   72    66    71    75   1.00000 -1.0 2.0
   79    75    78    80  10.50000 -1.0 2.0
END
