* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    165    256     484
    1     0 S   NP   _N1_     1    29.03737    95.54213   -22.92381
    2     1 S   H    _HN1     2     1.02915    78.12611    50.43058
    3     1 S   H    _H1_     3     1.02873    39.73669  -172.67322
    4     1 S   H    _H2_     4     1.02803    92.45467   -57.56749
    5     1 S   CT   _CA1     5     1.50090   148.28217   161.07209
    6     5 S   HC   _HA1     6     1.09630   105.02796    78.13632
    7     5 S   CO3  _C1_     7     1.53996   111.50619   -40.40164
    8     7 S   O2Z  _O11     8     1.26236   115.63203   -77.08905
    9     7 S   O2Z  _O12     9     1.26305   114.50902   101.57708
   10     5 S   CT   _CB1    10     1.53152   107.29431  -165.37066
   11    10 S   HC   HB11    11     1.09818   109.32307   -53.86434
   12    10 S   HC   HB12    12     1.09787   110.73996    62.77110
   13    10 S   CT   _CG1    13     1.52812   112.09325  -174.82710
   14    13 S   HC   HG11    14     1.09508   110.33647   -63.23565
   15    13 S   HC   HG12    15     1.09568   109.99965    55.85463
   16    13 S   C    _CD1    16     1.51644   112.79294   176.01778
   17    16 S   O    _OE1    17     1.22670   123.46158    -5.53959
   18    16 S   N    _N2_    18     1.38591   111.23644   175.14139
   19    18 S   H    _HN2    19     1.01602   118.88311     0.49178
   20    18 S   CT1  _CA2    20     1.46156   123.69530   178.22612
   21    20 S   HC   _HA2    21     1.09729   109.48062   -10.57797
   22    20 S   C    _C2_    22     1.53436   107.89280  -126.01630
   23    22 S   O    _O2_    23     1.23007   122.48245  -146.97987
   24    20 S   CT   _CB2    32     1.53361   111.20632   111.88466
   25    24 S   HC   HB21    33     1.09412   109.44937    52.48261
   26    24 S   HC   HB22    34     1.09470   110.33649   171.43810
   27    22 S   N    _N3_    24     1.38404   113.35351    40.39900
   28    27 S   H    _HN3    25     1.01647   119.46396    -2.83214
   29    24 S   S    _SG2    35     1.83001   111.18666   -69.39179
   30    27 S   CT   _CA3    26     1.45284   123.23244   177.34694
   31    30 S   HC   HA31    27     1.09541   107.57537   -64.83205
   32    30 S   HC   HA32    28     1.09561   107.92740    51.61409
   33    29 S   CT   _C23    36     1.86814   101.79404   161.55306
   34    30 S   CO3  _C3_    29     1.52949   114.02029   173.76313
   35    34 S   O2Z  _O31    30     1.26361   116.01180     5.83449
   36    34 S   O2Z  _O32    31     1.26415   114.45348  -174.15692
   37    33 S   C    _C24    37     1.52421   106.08088   -75.86375
   38    37 S   O    _O37    38     1.22406   124.09509    91.31402
   39    33 S   CT   _C22    86     1.53298   110.49702    48.84120
   40    39 S   HC   _H25    87     1.09844   109.73880    44.82615
   41    39 S   HC   _H26    88     1.09643   111.23250   -73.18830
   42    37 S   N    _N4_    39     1.39237   107.38438   -89.37292
   43    42 S   CA   _C13    40     1.42631   123.97538   170.60868
   44    42 S   C    _C17    73     1.38830   111.87541    -8.44334
   45    44 S   O    _O36    74     1.22287   129.68304   167.77895
   46    43 S   CA   _C12    41     1.40767   120.68028   -28.63676
   47    46 S   HA   _H17    42     1.08532   119.14365    -1.52701
   48    33 S   CT   _C18    75     1.53987   108.61636   175.45442
   49    48 S   HC   _H3_    76     1.09634   111.85801   -36.13660
   50    46 S   CA   _C11    43     1.40484   121.49623  -179.56389
   51    48 S   CT   _C19    77     1.53540   115.00597  -161.60401
   52    51 S   HC   _H19    78     1.09857   110.77645   -77.20377
   53    51 S   HC   _H20    79     1.09725   109.20687   166.97538
   54    50 S   CA   _C16    44     1.39986   119.06614    -1.01471
   55    54 S   Cl   Cl1_    45     1.72868   121.38343  -179.38898
   56    50 S   OS   _O35    50     1.37163   124.38574   179.96044
   57    51 S   CT   _C20    80     1.51896   112.74994    44.92811
   58    57 S   HC   _H21    81     1.09579   109.60130  -177.27337
   59    57 S   HC   _H22    82     1.09660   109.96554    65.25837
   60    54 S   CA   _C15    46     1.39221   120.38327     0.62963
   61    60 S   HA   _H18    47     1.08656   121.05218  -179.15350
   62    56 S   CT   _C10    51     1.42077   117.01285   -17.01607
   63    62 S   HC   _H15    52     1.09451   110.56317   -50.35652
   64    62 S   HC   _H16    53     1.09512   110.18691    73.83905
   65    57 S   CT   _C21    83     1.51995   110.31723   -56.38675
   66    65 S   HC   _H23    84     1.09605   109.57798  -178.31460
   67    65 S   HC   _H24    85     1.09672   110.01125   -61.09100
   68    43 S   CA   _C14    48     1.40161   121.70797   150.88036
   69    68 S   F    F1__    49     1.34103   121.04489    -4.44083
   70    62 S   CO4  _C9_    54     1.51054   108.09359  -168.28711
   71    70 S   O    _O34    55     1.22322   125.40352    -8.13349
   72    70 S   OS   _O33    56     1.36546   108.72229   172.18546
   73    72 S   CT   _C8_    57     1.43560   115.71173  -176.97631
   74    73 S   HC   _H13    58     1.09552   108.63798   -70.71942
   75    73 S   HC   _H14    59     1.09634   110.16159    48.93332
   76    73 S   CT   _C7_    60     1.52599   108.92902   169.86601
   77    76 S   HC   _H11    61     1.09680   109.24085    57.28592
   78    76 S   HC   _H12    62     1.09598   109.16742   174.86878
   79    76 S   CT   _C6_    63     1.53154   111.96750   -63.36868
   80    79 S   HC   _H9_    64     1.09557   109.76565    59.38453
   81    79 S   HC   _H10    65     1.09681   109.55949   -57.92522
   82    79 S   CT   _C5_    66     1.52807   111.41196  -179.35199
   83    82 S   HC   _H7_    67     1.09605   109.86988   -58.11370
   84    82 S   HC   _H8_    68     1.09616   109.84267    59.59417
   85    82 S   CT   _C4_    69     1.52050   111.46473  -179.27288
   86    85 S   HC   _H4_    70     1.09466   111.01704   -59.86034
   87    85 S   HC   _H5_    71     1.09454   111.03786    60.65002
   88    85 S   HC   _H6_    72     1.09445   110.25237  -179.65057
  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  12   5   4   3
  18   2   1   1  14   5  13   6   5  12  12   9   3   9   4   8
   4  10   8   5   4   7   4   7   5   4   3   3   2   6   4   3
   2   1   1   1   1   6   2   7   9   5   4   9   5   4   9   5
   4   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    44    48    49    51    65    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    48    49    51    52    53    57    65    66    67    39    40    41  
   35    36  
   36  
    0  
   38    42    43    46    68    44    45    48    49    51    65    39    40    41  
   42    43    44    48    39  
   40    41    42    44    48    49    51    57    58    59    65    66    67  
   41    48    57    65    66    67  
   48    57    65    66    67  
   43    46    47    50    60    68    69    44    45    48    49    51  
   46    47    50    54    60    61    68    69    56    44    45    48  
   45    48    49    51    52    53    57    46    68  
   48    49    51  
   47    50    54    55    60    68    69    56    62  
   50    54    68    56  
   49    51    52    53    57    58    59    65  
   51    52    53    57  
   54    55    60    61    68    56    62    63    64    70  
   52    53    57    58    59    65    66    67  
   53    57    58    59    65  
   57    58    59    65  
   55    60    61    68    69    56    62  
   60    61    68    56  
   62    63    64    70    71    72    60  
   58    59    65    66    67  
   59    65    66    67  
   65    66    67  
   61    68    69  
   68    69  
   63    64    70    71    72    73  
   64    70    71    72  
   70    71    72  
   66    67  
   67  
    0  
   69  
    0  
   71    72    73    74    75    76  
   72    73  
   73    74    75    76    77    78    79  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   3.5000   0.0660   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.206700   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   69   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   490.000  1.335
   42    43   360.000  1.404
   42    44   490.000  1.335
   43    46   469.000  1.400
   43    68   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    54   469.000  1.400
   50    56   450.000  1.364
   54    55   300.000  1.725
   54    60   469.000  1.400
   60    61   367.000  1.080
   60    68   469.000  1.400
   68    69   420.000  1.354
   56    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   317.000  1.522
   70    71   570.000  1.229
   70    72   214.000  1.327
   72    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    51   268.000  1.529
   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    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    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    37    70.00000  112.33000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    70.00000  116.60000
   33    48    44    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    51    58.35000  112.70000
   33    39    65    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  121.96500
   37    42    44    70.00000  121.37400
   42    37    38    80.00000  122.90000
   42    43    46    70.00000  119.01900
   42    43    68    70.00000  119.01900
   42    44    45    80.00000  122.90000
   42    44    48    70.00000  116.60000
   43    46    47    35.00000  120.00000
   43    46    50    63.00000  120.00000
   43    68    60    63.00000  120.00000
   43    68    69    80.00000  120.00000
   46    50    54    63.00000  120.00000
   46    50    56    70.00000  120.00000
   50    46    47    35.00000  120.00000
   50    54    55    75.00000  120.00000
   50    54    60    63.00000  120.00000
   50    56    62    75.00000  111.00000
   54    60    61    35.00000  120.00000
   54    60    68    63.00000  120.00000
   60    54    55    75.00000  120.00000
   60    68    69    80.00000  120.00000
   68    43    46    63.00000  120.00000
   68    60    61    35.00000  120.00000
   56    50    54    70.00000  120.00000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    70    90.00000  108.74100
   62    70    71    80.00000  120.40000
   62    70    72    81.00000  111.40000
   64    62    63    33.00000  107.80000
   70    62    63    35.00000  109.50000
   70    62    64    35.00000  109.50000
   70    72    73    83.00000  116.90000
   72    70    71    83.00000  123.40000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    50.00000  109.50000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   44    42    43    65.00000  121.96500
   44    48    49    35.00000  109.50000
   44    48    51    63.00000  111.10000
   48    33    37    63.00000  111.10000
   48    44    45    80.00000  120.40000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    57    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    65    58.35000  112.70000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    39    58.35000  112.70000
   59    57    58    33.00000  107.80000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   65    39    40    37.50000  110.70000
   65    39    41    37.50000  110.70000
   67    65    66    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    48    58.35000  112.70000
   39    65    66    37.50000  110.70000
   39    65    67    37.50000  110.70000
   41    39    40    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.00000  1.0 1.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   29    33    39    65   0.44750  1.0 1.0
   29    33    39    65  -0.17800 -1.0 2.0
   29    33    39    65   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   0.76000  1.0 1.0
   33    37    42    43   4.11600 -1.0 2.0
   33    37   -42    44   2.45000 -1.0 2.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    57   0.56750  1.0 1.0
   33    48    51    57  -0.07550 -1.0 2.0
   33    48    51    57   0.20000  1.0 3.0
   37    33   -48    44   0.11950  1.0 1.0
   37    33   -48    44   0.20300 -1.0 2.0
   37    33   -48    44  -0.70800  1.0 3.0
   37    33    48    49  -0.11250  1.0 3.0
   37    33    48    51  -0.95700  1.0 1.0
   37    33    48    51  -0.18200 -1.0 2.0
   37    33    48    51   0.29450  1.0 3.0
   37    33    39    65  -0.95700  1.0 1.0
   37    33    39    65  -0.18200 -1.0 2.0
   37    33    39    65   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    42    43    46   1.00100  1.0 1.0
   37    42    43    46   0.85050 -1.0 2.0
   37    42    43    68   1.00100  1.0 1.0
   37    42    43    68   0.85050 -1.0 2.0
   37    42    44    45   2.22250 -1.0 2.0
   37    42   -44    48   2.45000 -1.0 2.0
   38    37    42    43   0.04000 -1.0 2.0
   38    37    42    44   2.22250 -1.0 2.0
   42    43    46    47   3.62500 -1.0 2.0
   42    43    46    50   3.62500 -1.0 2.0
   42    43    68    60   3.62500 -1.0 2.0
   42    43    68    69   3.62500 -1.0 2.0
   42    44   -48    33   1.39750  1.0 1.0
   42    44   -48    33  -0.07950 -1.0 2.0
   42    44   -48    33  -0.18750  1.0 3.0
   42    44    48    49   0.00000  1.0 1.0
   42    44    48    51   1.39750  1.0 1.0
   42    44    48    51  -0.07950 -1.0 2.0
   42    44    48    51  -0.18750  1.0 3.0
   43    42    44    45   0.04000 -1.0 2.0
   43    42    44    48   0.76000  1.0 1.0
   43    42    44    48   4.11600 -1.0 2.0
   43    46    50    54   3.62500 -1.0 2.0
   43    46    50    56   3.62500 -1.0 2.0
   46    43    68    60   3.62500 -1.0 2.0
   46    43    68    69   3.62500 -1.0 2.0
   46    50    54    55   3.62500 -1.0 2.0
   46    50   -54    60   3.62500 -1.0 2.0
   46    50    56    62   1.63200 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   47    46    50    56   3.62500 -1.0 2.0
   50    54    60    61   3.62500 -1.0 2.0
   50    54    60    68   3.62500 -1.0 2.0
   50    56    62    63   0.08050  1.0 3.0
   50    56    62    64   0.08050  1.0 3.0
   50    56    62    70  -0.25600  1.0 1.0
   50    56    62    70  -0.40050 -1.0 2.0
   50    56    62    70   0.34700  1.0 3.0
   54    50    56    62   1.63200 -1.0 2.0
   54    60   -68    43   3.62500 -1.0 2.0
   54    60    68    69   3.62500 -1.0 2.0
   55    54    60    61   3.62500 -1.0 2.0
   55    54    60    68   3.62500 -1.0 2.0
   61    60    68    43   3.62500 -1.0 2.0
   61    60    68    69   3.62500 -1.0 2.0
   68    43    46    47   3.62500 -1.0 2.0
   68    43   -46    50   3.62500 -1.0 2.0
   56    50    54    55   3.62500 -1.0 2.0
   56    50    54    60   3.62500 -1.0 2.0
   56    62    70    71   0.30150 -1.0 2.0
   56    62    70    72   0.40000  1.0 3.0
   62    70    72    73   1.63150  1.0 1.0
   62    70    72    73   2.92000 -1.0 2.0
   63    62    70    71   0.00000  1.0 1.0
   63    62    70    72   0.00000  1.0 1.0
   64    62    70    71   0.00000  1.0 1.0
   64    62    70    72   0.00000  1.0 1.0
   70    72    73    74   0.08050  1.0 3.0
   70    72    73    75   0.08050  1.0 3.0
   70    72    73    76  -0.25900  1.0 1.0
   70    72    73    76  -0.47000 -1.0 2.0
   70    72    73    76   0.11750  1.0 3.0
   71    70    72    73   3.00000 -1.0 2.0
   72    73    76    77   0.23400  1.0 3.0
   72    73    76    78   0.23400  1.0 3.0
   72    73    76    79   0.62750  1.0 1.0
   72    73    76    79  -0.30950 -1.0 2.0
   72    73    76    79   0.27300  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82   0.56750  1.0 1.0
   73    76    79    82  -0.07550 -1.0 2.0
   73    76    79    82   0.20000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   76    79    82    84   0.15000  1.0 3.0
   76    79    82    85   0.56750  1.0 1.0
   76    79    82    85  -0.07550 -1.0 2.0
   76    79    82    85   0.20000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  1.0 3.0
   44    42    43    46   1.00100  1.0 1.0
   44    42    43    46   0.85050 -1.0 2.0
   44    42    43    68   1.00100  1.0 1.0
   44    42    43    68   0.85050 -1.0 2.0
   44    48    51    52  -0.11250  1.0 3.0
   44    48    51    53  -0.11250  1.0 3.0
   44    48    51    57  -0.95700  1.0 1.0
   44    48    51    57  -0.18200 -1.0 2.0
   44    48    51    57   0.29450  1.0 3.0
   45    44    48    33   0.30150 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    51   0.30150 -1.0 2.0
   48    33    37    38   0.30150 -1.0 2.0
   48    33   -37    42   1.39750  1.0 1.0
   48    33   -37    42  -0.07950 -1.0 2.0
   48    33   -37    42  -0.18750  1.0 3.0
   48    33    39    65   0.56750  1.0 1.0
   48    33    39    65  -0.07550 -1.0 2.0
   48    33    39    65   0.20000  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    51    57    58   0.15000  1.0 3.0
   48    51    57    59   0.15000  1.0 3.0
   48    51   -57    65   0.56750  1.0 1.0
   48    51   -57    65  -0.07550 -1.0 2.0
   48    51   -57    65   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    57   0.15000  1.0 3.0
   51    57    65    66   0.15000  1.0 3.0
   51    57    65    67   0.15000  1.0 3.0
   51    57    65    39   0.56750  1.0 1.0
   51    57    65    39  -0.07550 -1.0 2.0
   51    57    65    39   0.20000  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    65   0.15000  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    65   0.15000  1.0 3.0
   57    65   -39    33   0.56750  1.0 1.0
   57    65   -39    33  -0.07550 -1.0 2.0
   57    65   -39    33   0.20000  1.0 3.0
   57    65    39    40   0.15000  1.0 3.0
   57    65    39    41   0.15000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67   0.15000  1.0 3.0
   58    57    65    39   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    67   0.15000  1.0 3.0
   59    57    65    39   0.15000  1.0 3.0
   66    65    39    33   0.15000  1.0 3.0
   66    65    39    40   0.15000  1.0 3.0
   66    65    39    41   0.15000  1.0 3.0
   67    65    39    33   0.15000  1.0 3.0
   67    65    39    40   0.15000  1.0 3.0
   67    65    39    41   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   1.39750  1.0 1.0
   39    33    37    42  -0.07950 -1.0 2.0
   39    33    37    42  -0.18750  1.0 3.0
   39    33    48    44  -0.95700  1.0 1.0
   39    33    48    44  -0.18200 -1.0 2.0
   39    33    48    44   0.29450  1.0 3.0
   39    33    48    49   0.15000  1.0 3.0
   39    33   -48    51   0.56750  1.0 1.0
   39    33   -48    51  -0.07550 -1.0 2.0
   39    33   -48    51   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   44    37    42    43   1.00000 -1.0 2.0
   46    68    43    42   4.00000 -1.0 2.0
   50    47    46    43   1.10000 -1.0 2.0
   54    56    50    46   4.00000 -1.0 2.0
   60    55    54    50   4.00000 -1.0 2.0
   68    61    60    54   1.10000 -1.0 2.0
   60    69    68    43   4.00000 -1.0 2.0
   62    72    70    71  10.50000 -1.0 2.0
   42    48    44    45  10.50000 -1.0 2.0
END
