* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    142    235     424
    1     0 S   NP   _N1_     1    28.84794    98.30507   -23.21060
    2     1 S   H    _HN1     2     1.02826    51.73423   169.51812
    3     1 S   H    _H1_     3     1.02793   106.27442   -90.26273
    4     1 S   H    _H2_     4     1.02947    58.33123    11.61359
    5     1 S   CT   _CA1     5     1.50136   141.42622    94.91866
    6     5 S   HC   _HA1     6     1.09575   105.14968   113.30761
    7     5 S   CO3  _C1_     7     1.53767   112.43840    -6.85544
    8     7 S   O2Z  _O11     8     1.26376   115.00085   -42.69884
    9     7 S   O2Z  _O12     9     1.26236   114.94220   136.24262
   10     5 S   CT   _CB1    10     1.53055   107.38817  -128.76255
   11    10 S   HC   HB11    11     1.09841   109.29726   -49.48203
   12    10 S   HC   HB12    12     1.09809   110.49107    67.10469
   13    10 S   CT   _CG1    13     1.53015   112.65092  -170.42558
   14    13 S   HC   HG11    14     1.09572   110.71080   -67.66689
   15    13 S   HC   HG12    15     1.09671   109.71134    51.57976
   16    13 S   C    _CD1    16     1.51822   112.00435   172.01775
   17    16 S   O    _OE1    17     1.22759   123.18527    11.63164
   18    16 S   N    _N2_    18     1.38631   111.81173  -168.22277
   19    18 S   H    _HN2    19     1.01572   119.04802     0.74913
   20    18 S   CT1  _CA2    20     1.46259   123.45163   176.99319
   21    20 S   HC   _HA2    21     1.09742   109.20466     9.23753
   22    20 S   C    _C2_    22     1.53740   109.16469  -106.32777
   23    22 S   O    _O2_    23     1.23099   122.20489  -150.91112
   24    20 S   CT   _CB2    32     1.53461   111.49887   131.17835
   25    24 S   HC   HB21    33     1.09499   109.54277    57.12257
   26    24 S   HC   HB22    34     1.09439   109.70897   176.01145
   27    22 S   N    _N3_    24     1.38303   114.01477    36.66884
   28    27 S   H    _HN3    25     1.01525   119.62493    -3.32561
   29    24 S   S    _SG2    35     1.83251   111.03802   -64.68258
   30    27 S   CT   _CA3    26     1.45275   123.27610   177.16842
   31    30 S   HC   HA31    27     1.09548   107.52585   -64.58973
   32    30 S   HC   HA32    28     1.09556   107.98400    51.86550
   33    29 S   CT   _C20    36     1.85248   102.23704   168.41246
   34    33 S   OM   _O39    37     1.31657   111.78960   -62.01121
   35    30 S   CO3  _C3_    29     1.52970   114.05277   173.87231
   36    35 S   O2Z  _O31    30     1.26384   116.09601     0.11014
   37    35 S   O2Z  _O32    31     1.26427   114.41234  -179.84174
   38    33 S   CM   _C21    38     1.52881   109.29833   177.37930
   39    33 S   CO4  _C19    70     1.53711   107.23845    57.23278
   40    39 S   O    _O36    71     1.23443   123.42207   -88.78739
   41    38 S   CMA  _C22    39     1.36385   126.89071  -115.91053
   42    41 S   OM   _O37    40     1.26877   130.33537   178.44568
   43    38 S   C    _C23    74     1.50898   117.56528    64.17939
   44    43 S   O    _O38    75     1.22645   122.68588   -75.85715
   45    41 S   CT   _C16    41     1.55037   118.14507    -0.75847
   46    43 S   N    _N4_    76     1.37561   113.14013   104.04604
   47    46 S   H    _H13    77     1.01427   121.57001     0.69661
   48    46 S   H    _H14    78     1.01231   120.66599   179.92867
   49    45 S   CO4  _C15    42     1.53936   111.39185   -94.36500
   50    49 S   O    _O35    43     1.22982   122.39096   -16.32931
   51    45 S   OH   _O40    72     1.43684   111.40466   148.09454
   52    51 S   HO   _H15    73     0.97481   105.99090    35.14710
   53    49 S   CA   _C7_    44     1.50230   118.51595   164.82402
   54    53 S   CA   _C6_    45     1.39764   120.04890   -12.13055
   55    54 S   CA   _C5_    46     1.42835   119.38296   178.00414
   56    54 S   CT   _C18    65     1.51737   120.59439    -0.52526
   57    56 S   HC   _H11    66     1.09787   107.64328   104.08592
   58    56 S   HC   _H12    67     1.09718   109.56971  -139.23033
   59    55 S   CA   _C10    47     1.45311   121.85587     7.60432
   60    55 S   CT   _C4_    61     1.51798   117.42390  -171.11285
   61    60 S   HC   _H4_    62     1.09351   110.54811   -99.69383
   62    60 S   HC   _H5_    63     1.09314   113.15840    21.21449
   63    60 S   HC   _H6_    64     1.09381   110.57218   136.19678
   64    45 S   CT   _C17    68     1.52244   112.14323    27.98049
   65    64 S   HC   _H3_    69     1.09934   110.23737    61.93186
   66    59 S   CA   _C9_    48     1.42919   117.12433    -9.19383
   67    66 S   CA   _C14    49     1.43033   118.71150  -175.29830
   68    53 S   CA   _C8_    58     1.40686   120.80094   167.49757
   69    67 S   CA   _C13    50     1.39030   123.04571    -1.90372
   70    69 S   HA   _H8_    51     1.08590   121.46735  -179.81762
   71    67 S   OH   _O33    56     1.37624   120.48568   178.18868
   72    71 S   HO   _H9_    57     0.97154   109.69175   179.73830
   73    68 S   OH   _O34    59     1.37906   119.88205    -1.79057
   74    73 S   HO   _H10    60     0.97237   110.09744     3.75442
   75    69 S   CA   _C12    52     1.37595   118.99154    -1.48767
   76    75 S   HA   _H7_    53     1.08780   118.78521  -177.32497
   77    59 S   CA   _C11    54     1.44532   126.86196   170.75099
   78    77 S   Cl   Cl1_    55     1.74013   124.40604    -9.17543
  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   8   5   4   3
  13   6   2   1   1  13  12   4  13   5   5   3  12   2   1   1
  12   5   5   1  13  15  15   7   3   2  14   5   2   1   1   1
   1  11   9   5   7   4   2   1   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    64    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    56    64    65    39    40    43    44    46  
   38    41    64    39    40    43  
   36    37  
   37  
    0  
   41    42    45    49    64    39    40    51    43    44    46    47    48  
   40    51    43    41    45    49    54    56    57    58    64    65  
   45    56    64    65  
   42    45    49    50    53    56    64    65    51    52    43    44    46  
   45    49    64    51    43  
   44    46    47    48    45  
   46    47    48  
   49    50    53    54    68    56    57    58    64    65    51    52  
   47    48  
   48  
    0  
   50    53    54    55    66    68    73    56    64    65    51    52  
   53    54    68    64    51  
   52    53    56    64    65  
   64  
   54    55    59    66    67    68    73    74    60    56    57    58    64  
   55    59    66    77    68    73    60    61    62    63    56    57    58    64    65  
   59    66    67    75    77    78    68    60    61    62    63    56    57    58    64  
   57    58    64    65    59    60    68  
   58    64    65  
   64    65  
   66    67    69    75    76    77    78    71    68    73    60    61    62    63  
   61    62    63    66    77  
   62    63  
   63  
    0  
   65  
    0  
   67    69    70    75    77    78    71    72    68    73    74  
   69    70    75    76    77    71    72    68    73  
   73    74    69    71    77  
   70    75    76    77    78    71    72  
   75    76    77    71  
   72    75  
    0  
   74  
    0  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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    39   317.000  1.522
   38    41   465.000  1.376
   38    43   410.000  1.444
   41    42   745.000  1.250
   41    45   270.000  1.512
   45    49   317.000  1.522
   45    64   268.000  1.529
   45    51   320.000  1.410
   49    50   570.000  1.229
   49    53   310.000  1.470
   53    54   469.000  1.400
   53    68   469.000  1.400
   54    55   469.000  1.400
   54    56   317.000  1.510
   55    59   469.000  1.400
   55    60   317.000  1.510
   59    66   469.000  1.400
   59    77   469.000  1.400
   66    67   469.000  1.400
   66    68   469.000  1.400
   67    69   469.000  1.400
   67    71   450.000  1.364
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   300.000  1.725
   71    72   553.000  0.945
   68    73   450.000  1.364
   73    74   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    39   317.000  1.522
   39    40   570.000  1.229
   51    52   553.000  0.945
   43    44   570.000  1.229
   43    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
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    39    75.00000  110.18000
   33    38    41    70.00000  124.00000
   33    38    43    70.00000  119.70000
   33    39    64    70.00000  116.00000
   33    39    40    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    45    65.00000  122.18000
   38    43    44    80.00000  125.30000
   38    43    46    80.00000  111.56200
   41    45    49    70.00000  109.06800
   41    45    64    70.00000  112.02700
   41    45    51    90.00000  110.39200
   45    41    42    85.00000  112.85300
   45    49    50    80.00000  120.40000
   45    49    53    65.00000  115.47100
   45    64    56    58.35000  112.70000
   45    64    65    37.50000  110.70000
   45    64    39    63.00000  111.10000
   45    51    52    55.00000  108.50000
   49    53    54    60.00000  119.52600
   49    53    68    60.00000  119.52600
   53    49    50    75.00000  123.78400
   53    54    55    63.00000  120.00000
   53    54    56    70.00000  120.00000
   53    68    66    63.00000  120.00000
   53    68    73    70.00000  120.00000
   54    55    59    63.00000  120.00000
   54    55    60    70.00000  120.00000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    64    70.00000  112.17500
   55    59    66    63.00000  120.00000
   55    59    77    63.00000  120.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   59    66    67    63.00000  120.00000
   59    66    68    63.00000  120.00000
   59    77    75    63.00000  120.00000
   59    77    78    75.00000  120.00000
   66    67    69    63.00000  120.00000
   66    67    71    70.00000  120.00000
   66    68    73    70.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    75    63.00000  120.00000
   67    71    72    35.00000  113.00000
   69    75    76    35.00000  120.00000
   69    75    77    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    77    78    75.00000  120.00000
   77    59    66    63.00000  120.00000
   77    75    76    35.00000  120.00000
   71    67    69    70.00000  120.00000
   68    53    54    63.00000  120.00000
   68    66    67    63.00000  120.00000
   68    73    74    35.00000  113.00000
   60    55    59    70.00000  120.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   56    54    55    70.00000  120.00000
   56    64    65    37.50000  110.70000
   56    64    39    63.00000  111.10000
   58    56    57    33.00000  107.80000
   64    45    49    63.00000  111.10000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    39    40    80.00000  120.40000
   39    33    34    90.00000  108.74100
   39    33    38    70.00000  109.06800
   39    64    65    35.00000  109.50000
   51    45    49    90.00000  109.61100
   51    45    64    50.00000  109.50000
   43    38    41    60.00000  120.04000
   43    46    47    35.00000  119.80000
   43    46    48    35.00000  119.80000
   46    43    44    80.00000  122.90000
   48    46    47    35.00000  120.00000
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    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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.09700  1.0 1.0
   29    33    38    43   0.15600 -1.0 2.0
   29    33    38    43  -0.50800  1.0 3.0
   29    33    39    64   0.65300  1.0 1.0
   29    33    39    64  -0.03850 -1.0 2.0
   29    33    39    64   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    43    44  -0.64400  1.0 1.0
   33    38    43    44   0.26850 -1.0 2.0
   33    38    43    46   1.59650  1.0 1.0
   33    38    43    46   0.42750 -1.0 2.0
   33    38    43    46  -0.48350  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    43   0.09700  1.0 1.0
   34    33    38    43   0.15600 -1.0 2.0
   34    33    38    43  -0.50800  1.0 3.0
   34    33    39    64   0.55300  1.0 1.0
   34    33    39    64   1.25850 -1.0 2.0
   34    33    39    64  -0.23600  1.0 3.0
   34    33    39    40   0.30150 -1.0 2.0
   38    33    39    64   0.65300  1.0 1.0
   38    33    39    64  -0.03850 -1.0 2.0
   38    33    39    64   0.33900  1.0 3.0
   38    33    39    40   0.30150 -1.0 2.0
   38    41    45    49  -0.51250  1.0 1.0
   38    41    45    49  -0.88800 -1.0 2.0
   38    41    45    49   0.08850  1.0 3.0
   38    41   -45    64   0.09850  1.0 1.0
   38    41   -45    64   0.15250 -1.0 2.0
   38    41   -45    64  -0.50650  1.0 3.0
   38    41    45    51   0.67800  1.0 1.0
   38    41    45    51   0.47050 -1.0 2.0
   38    41    45    51  -0.62500  1.0 3.0
   38    43    46    47   2.56700 -1.0 2.0
   38    43    46    48   2.56700 -1.0 2.0
   41    38    43    44   1.00000 -1.0 2.0
   41    38    43    46   0.49500  1.0 1.0
   41    38    43    46   1.31600 -1.0 2.0
   41    38    43    46  -0.02300  1.0 3.0
   41    45    49    50   0.30150 -1.0 2.0
   41    45    49    53   0.65300  1.0 1.0
   41    45    49    53  -0.03850 -1.0 2.0
   41    45    49    53   0.33900  1.0 3.0
   41    45    64    56   0.34400  1.0 1.0
   41    45    64    56   0.09450 -1.0 2.0
   41    45    64    56   0.11100  1.0 3.0
   41    45    64    65   0.15000  1.0 3.0
   41    45    64    39  -0.98800  1.0 1.0
   41    45    64    39   0.48800 -1.0 2.0
   41    45    64    39   0.76800  1.0 3.0
   41    45    51    52  -0.07800  1.0 1.0
   41    45    51    52  -0.21500 -1.0 2.0
   41    45    51    52  -0.03150  1.0 3.0
   42    41    45    49   0.09700  1.0 1.0
   42    41    45    49   0.15600 -1.0 2.0
   42    41    45    49  -0.50800  1.0 3.0
   42    41    45    64   0.09700  1.0 1.0
   42    41    45    64   0.15600 -1.0 2.0
   42    41    45    64  -0.50800  1.0 3.0
   42    41    45    51   0.09700  1.0 1.0
   42    41    45    51   0.15600 -1.0 2.0
   42    41    45    51  -0.50800  1.0 3.0
   45    49    53    54   2.26350  1.0 1.0
   45    49    53    54   0.76750 -1.0 2.0
   45    49    53    54   0.22500  1.0 3.0
   45    49    53    68   2.26350  1.0 1.0
   45    49    53    68   0.76750 -1.0 2.0
   45    49    53    68   0.22500  1.0 3.0
   45    64   -39    33   0.60050  1.0 1.0
   45    64   -39    33   0.05600 -1.0 2.0
   45    64   -39    33   0.26150  1.0 3.0
   45    64    39    40   0.30150 -1.0 2.0
   49    45    64    56  -0.95700  1.0 1.0
   49    45    64    56  -0.18200 -1.0 2.0
   49    45    64    56   0.29450  1.0 3.0
   49    45    64    65  -0.11250  1.0 3.0
   49    45    64    39   0.11950  1.0 1.0
   49    45    64    39   0.20300 -1.0 2.0
   49    45    64    39  -0.70800  1.0 3.0
   49    45    51    52   0.91850  1.0 1.0
   49    45    51    52   0.57950  1.0 3.0
   49    53    54    55   3.62500 -1.0 2.0
   49    53   -54    56   3.62500 -1.0 2.0
   49    53    68    66   3.62500 -1.0 2.0
   49    53    68    73   3.62500 -1.0 2.0
   50    49    53    54   1.05000 -1.0 2.0
   50    49    53    68   1.05000 -1.0 2.0
   53    54    55    59   3.62500 -1.0 2.0
   53    54    55    60   3.62500 -1.0 2.0
   53    54    56    57   0.00000  1.0 1.0
   53    54    56    58   0.00000  1.0 1.0
   53    54    56    64   0.04150 -1.0 2.0
   53    68    73    74   0.84100 -1.0 2.0
   54    53    68    66   3.62500 -1.0 2.0
   54    53    68    73   3.62500 -1.0 2.0
   54    55   -59    66   3.62500 -1.0 2.0
   54    55    59    77   3.62500 -1.0 2.0
   54    55    60    61   0.00000  1.0 1.0
   54    55    60    62   0.00000  1.0 1.0
   54    55    60    63   0.00000  1.0 1.0
   54    56   -64    45  -0.03700  1.0 1.0
   54    56   -64    45   0.37200 -1.0 2.0
   54    56   -64    45  -0.47300  1.0 3.0
   54    56    64    65   0.43200  1.0 3.0
   54    56    64    39   0.56750  1.0 1.0
   54    56    64    39  -0.07550 -1.0 2.0
   54    56    64    39   0.20000  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    64   0.04150 -1.0 2.0
   55    59    66    67   3.62500 -1.0 2.0
   55    59    66    68   3.62500 -1.0 2.0
   55    59    77    75   3.62500 -1.0 2.0
   55    59    77    78   3.62500 -1.0 2.0
   59    55    60    61   0.00000  1.0 1.0
   59    55    60    62   0.00000  1.0 1.0
   59    55    60    63   0.00000  1.0 1.0
   59    66    67    69   3.62500 -1.0 2.0
   59    66    67    71   3.62500 -1.0 2.0
   59    66   -68    53   3.62500 -1.0 2.0
   59    66    68    73   3.62500 -1.0 2.0
   66    59    77    75   3.62500 -1.0 2.0
   66    59    77    78   3.62500 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67   -69    75   3.62500 -1.0 2.0
   66    67    71    72   0.84100 -1.0 2.0
   66    68    73    74   0.84100 -1.0 2.0
   67    66    68    53   3.62500 -1.0 2.0
   67    66    68    73   3.62500 -1.0 2.0
   67    69    75    76   3.62500 -1.0 2.0
   67    69    75    77   3.62500 -1.0 2.0
   69    67    71    72   0.84100 -1.0 2.0
   69    75   -77    59   3.62500 -1.0 2.0
   69    75    77    78   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   70    69    75    77   3.62500 -1.0 2.0
   76    75    77    59   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    59   -66    67   3.62500 -1.0 2.0
   77    59    66    68   3.62500 -1.0 2.0
   71    67    69    70   3.62500 -1.0 2.0
   71    67    69    75   3.62500 -1.0 2.0
   68    53   -54    55   3.62500 -1.0 2.0
   68    53    54    56   3.62500 -1.0 2.0
   68    66    67    69   3.62500 -1.0 2.0
   68    66    67    71   3.62500 -1.0 2.0
   60    55    59    66   3.62500 -1.0 2.0
   60    55    59    77   3.62500 -1.0 2.0
   56    54    55    59   3.62500 -1.0 2.0
   56    54    55    60   3.62500 -1.0 2.0
   56    64    39    33   0.60050  1.0 1.0
   56    64    39    33   0.05600 -1.0 2.0
   56    64    39    33   0.26150  1.0 3.0
   56    64    39    40   0.30150 -1.0 2.0
   57    56    64    45   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    39  -0.11250  1.0 3.0
   58    56    64    45   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    39  -0.11250  1.0 3.0
   64    45    49    50   0.30150 -1.0 2.0
   64    45   -49    53   0.05850 -1.0 2.0
   64    45   -49    53   0.17250  1.0 3.0
   64    45    51    52  -0.11600  1.0 1.0
   64    45    51    52  -0.09450 -1.0 2.0
   64    45    51    52   0.21250  1.0 3.0
   65    64    39    33   0.00000  1.0 1.0
   65    64    39    40   0.00000  1.0 1.0
   39    33   -38    41  -0.51250  1.0 1.0
   39    33   -38    41  -0.88800 -1.0 2.0
   39    33   -38    41   0.08850  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   51    45    49    50   0.30150 -1.0 2.0
   51    45    49    53   0.65300  1.0 1.0
   51    45    49    53  -0.03850 -1.0 2.0
   51    45    49    53   0.33900  1.0 3.0
   51    45    64    56   0.86500  1.0 1.0
   51    45    64    56  -0.17500 -1.0 2.0
   51    45    64    56   0.20800  1.0 3.0
   51    45    64    65   0.23400  1.0 3.0
   51    45    64    39  -0.09450  1.0 1.0
   51    45    64    39  -1.12950 -1.0 2.0
   51    45    64    39   0.54000  1.0 3.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    45   7.00000 -1.0 2.0
   44    43    46    47   2.45000 -1.0 2.0
   44    43    46    48   2.45000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   45    53    49    50  10.50000 -1.0 2.0
   54    68    53    49   4.00000 -1.0 2.0
   55    56    54    53   4.00000 -1.0 2.0
   59    60    55    54   4.00000 -1.0 2.0
   66    77    59    55   4.00000 -1.0 2.0
   67    68    66    59   4.00000 -1.0 2.0
   69    71    67    66   4.00000 -1.0 2.0
   75    70    69    67   1.10000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   75    78    77    59   4.00000 -1.0 2.0
   66    73    68    53   4.00000 -1.0 2.0
   33    64    39    40  10.50000 -1.0 2.0
   38    46    43    44  10.50000 -1.0 2.0
   48    43    46    47   1.00000 -1.0 2.0
END
