* LIGAND DATABASE FILE (OPLS2005)
*
001     102   107    203    333     605
    1     0 S   NP   _N1_     1    28.73826    99.79422   -19.55685
    2     1 S   H    _HN1     2     1.02775    89.25147  -104.14422
    3     1 S   H    _H1_     3     1.02958    57.66810     8.23523
    4     1 S   H    _H2_     4     1.02835    62.02152   145.05928
    5     1 S   CT   _CA1     5     1.50143   158.37162    69.65419
    6     5 S   HC   _HA1     6     1.09576   105.19969   125.21581
    7     5 S   CO3  _C1_     7     1.53767   112.34076     5.05160
    8     7 S   O2Z  _O11     8     1.26368   114.98246   -44.02979
    9     7 S   O2Z  _O12     9     1.26229   114.91914   134.96784
   10     5 S   CT   _CB1    10     1.53082   107.40805  -116.89941
   11    10 S   HC   HB11    11     1.09830   109.28503   -50.47398
   12    10 S   HC   HB12    12     1.09815   110.44669    66.06164
   13    10 S   CT   _CG1    13     1.53031   112.70842  -171.53852
   14    13 S   HC   HG11    14     1.09595   110.52656   -65.30254
   15    13 S   HC   HG12    15     1.09659   109.89750    53.92116
   16    13 S   C    _CD1    16     1.51848   112.24001   174.25785
   17    16 S   O    _OE1    17     1.22762   123.25827     2.13065
   18    16 S   N    _N2_    18     1.38539   111.76596  -177.90053
   19    18 S   H    _HN2    19     1.01569   119.08575     4.02302
   20    18 S   CT1  _CA2    20     1.45889   122.86201   177.53002
   21    20 S   HC   _HA2    21     1.09732   108.92064    24.31913
   22    20 S   C    _C2_    22     1.52929   106.85847   -92.71731
   23    22 S   O    _O2_    23     1.22992   123.00932   -28.52294
   24    20 S   CT   _CB2    32     1.53352   112.18744   147.54357
   25    24 S   HC   HB21    33     1.09301   109.36879    54.67531
   26    24 S   HC   HB22    34     1.09400   109.45049   173.53892
   27    22 S   N    _N3_    24     1.38498   112.61558   154.02714
   28    27 S   H    _HN3    25     1.01651   120.36337    -1.50063
   29    24 S   S    _SG2    35     1.82651   110.40185   -67.01228
   30    27 S   CT   _CA3    26     1.45346   122.42952   178.61365
   31    30 S   HC   HA31    27     1.09569   107.57029   -60.47217
   32    30 S   HC   HA32    28     1.09566   107.82541    55.82730
   33    29 S   CT   _C7_    36     1.95992   102.88132   168.08428
   34    30 S   CO3  _C3_    29     1.52880   114.40060   177.69930
   35    34 S   O2Z  _O31    30     1.26326   116.10790    -3.08388
   36    34 S   O2Z  _O32    31     1.26452   114.39551   177.01613
   37    33 S   CM   _C16    37     1.54330   102.18264   178.86737
   38    37 S   CM   _C17    38     1.34876   118.18513    75.09765
   39    38 S   HC   _H19    39     1.08252   123.01744  -176.42040
   40    37 S   CT   _C15    74     1.54962   118.58392  -107.74911
   41    38 S   CO4  _C18    40     1.47657   122.60688     3.35567
   42    41 S   O    _O33    41     1.22599   120.72625  -165.16159
   43    40 S   CT   _C10    75     1.55832   105.36335   -50.22438
   44    43 S   HC   _H7_    76     1.09897   105.57840   -58.98004
   45    40 S   C3T  _C14    90     1.54066   114.93959  -163.60508
   46    45 S   HC   _H10    91     1.08027   116.54203    17.56127
   47    40 S   CT   _C19    99     1.54663   107.10912    74.29948
   48    47 S   HC   _H20   100     1.08880   113.35228  -175.88553
   49    47 S   HC   _H21   101     1.09774   110.14697    64.99795
   50    47 S   HC   _H22   102     1.08892   114.31258   -55.00765
   51    41 S   OS   _O34    42     1.35700   116.82428    16.00509
   52    43 S   CT   _C9_    77     1.51882   115.94816    58.57512
   53    52 S   HC   _H6_    78     1.10078   108.49479  -149.68584
   54    81 S   O3T  _O35    92     1.43246   116.71009  -105.18856
   55    33 S   CT   _C6_    43     1.56427   107.62020   -69.03326
   56    55 S   HC   _H4_    44     1.09474   107.75995    58.75108
   57    33 S   CT   _C8_    79     1.58652   106.23482    58.07125
   58    57 S   OM   _O39    80     1.32809   110.68947   -95.30349
   59    57 S   HC   _H5_    81     1.09873   106.09171    30.76702
   60    52 S   OS   _O38    82     1.44668   104.07926    98.02348
   61    55 S   CT   _C5_    45     1.56365   118.47004   179.79158
   62    61 S   HC   _H3_    46     1.09380   110.01119   -43.52853
   63    60 S   CO4  _C20    83     1.36515   110.95912    21.47395
   64    63 S   O    _O37    84     1.22236   124.00489   175.73176
   65    61 S   CT   _C4_    47     1.53537   108.49777  -161.78191
   66    65 S   HC   _H16    48     1.09501   111.31776   -71.77069
   67    65 S   HC   _H17    49     1.09432   110.96903   168.42921
   68    65 S   HC   _H18    50     1.09491   111.45953    49.90889
   69    61 S   OS1  _O40    51     1.43481   109.88500    75.70187
   70    43 S   CT   _C11    85     1.54992   116.89655  -179.17126
   71    69 S   CO1  _C22    52     1.43413   116.49651   179.64392
   72    71 S   HC   _H11    53     1.09786   108.73750    43.32798
   73    70 S   CT   _C12    86     1.55231   115.67423    25.04296
   74    73 S   HC   _H8_    87     1.09701   109.58366   142.68184
   75    70 S   CT   _C21    95     1.54643   110.01957   148.09881
   76    75 S   HC   _H24    96     1.09453   111.09171   -68.02348
   77    75 S   HC   _H25    97     1.09674   110.83040   172.17190
   78    75 S   HC   _H26    98     1.09517   112.51019    53.07975
   79    71 S   CT   _C23    54     1.53760   107.52244   163.18988
   80    79 S   HC   _H12    55     1.09690   109.81744    51.52035
   81    73 S   C3T  _C13    88     1.49942   111.77620    24.32792
   82    81 S   HC   _H9_    89     1.08131   114.06797   111.05557
   83    73 S   OH   _O36    93     1.42499   113.75603  -100.62700
   84    83 S   HO   _H23    94     0.97337   107.77521   -60.50491
   85    79 S   CT   _C24    56     1.53231   111.64651   173.63431
   86    85 S   HC   _H13    57     1.09678   110.17605    73.88836
   87    79 S   OH5  _O45    72     1.42696   110.37890   -65.31047
   88    87 S   HO   _H32    73     0.97193   107.84744   -63.49514
   89    85 S   CT   _C25    58     1.53017   111.62111   -48.78521
   90    89 S   HC   _H14    59     1.09702   109.11546   -71.72176
   91    85 S   OH5  _O44    70     1.42965   109.57891  -170.38569
   92    91 S   HO   _H31    71     0.97248   108.12794    61.36495
   93    89 S   CT   _C26    60     1.53020   110.33624    49.45159
   94    93 S   HC   _H15    61     1.09828   111.10518    63.92692
   95    89 S   OH5  _O43    68     1.42564   109.75148   171.32710
   96    95 S   HO   _H30    69     0.97251   108.26243   -58.24946
   97    71 S   OS1  _O41    62     1.42943   110.69368   -78.44724
   98    93 S   CT   _C27    63     1.52965   111.56026  -175.06239
   99    98 S   HC   _H27    64     1.09503   111.01920    69.50460
  100    98 S   HC   _H28    65     1.09395   111.56879   -52.93510
  101    98 S   OH5  _O42    66     1.42504   109.02602  -171.84168
  102   101 S   HO   _H29    67     0.97240   107.01882  -177.85881
  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
  21   2   1   1  24  10   4  21   5   2  25  10  13   5   7   2
   1   1   7  11   6   6  12   5   6   2   1   5  10   6  10   3
   5   3   2   1   8  10  13   6   9   5   5   2   1   1  12   7
   3   1   1   1  13   7   4   1  12   7   3   1   9   6   3   1
   4   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    55    57    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    51    55    56    61    40    52    57    58    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    51    55    56    61    62    65    69    40    43    52    53    57    58    59    60    45    47  
   35    36  
   36  
    0  
   38    39    41    42    51    55    56    61    40    43    44    52    57    58    59    70    81    45    46    54    47    48    49    50  
   39    41    42    51    55    40    43    57    45    47  
   41    42    51    40  
   43    44    52    53    57    60    63    70    73    81    82    45    46    54    75    47    48    49    50    41    55  
   42    51    55    56    61  
   51    55  
   44    52    53    57    58    59    60    63    64    70    73    74    81    45    46    54    83    75    76    77    78    47    48    49    50  
   52    53    57    60    63    70    73    45    75    47  
   46    54    83    47    48    49    50    52    70    73    74    81    82  
   54    47    73    81    82  
   48    49    50    52    54    70    81  
   49    50  
   50  
    0  
   55    56    61    62    65    69    57  
   53    57    58    59    60    63    64    70    73    75    55  
   57    58    59    60    63    70  
   83    70    73    74    81    82  
   56    61    62    65    66    67    68    69    71    57    58    59  
   61    62    65    69    57  
   58    59    60    63    70    61  
   59    60  
   60  
   63    64    70    73    75  
   62    65    66    67    68    69    71    72    79    97  
   65    66    67    68    69    71  
   64    70    73    74    81    83    75    76    77    78  
   70    73    75  
   66    67    68    69    71  
   67    68    69  
   68    69  
   69  
   71    72    79    80    85    93    97    87  
   73    74    81    82    83    84    75    76    77    78  
   72    79    80    85    86    89    93    94    97    98    91    87    88  
   79    80    85    93    97    87  
   74    81    82    83    84    75    76    77    78  
   81    82    83    84    75  
   76    77    78    81    83  
   77    78  
   78  
    0  
   80    85    86    89    90    93    97    95    91    92    87    88  
   85    86    89    97    91    87    88  
   82    83    84  
   83  
   84  
    0  
   86    89    90    93    94    97    98    95    96    91    92    87    88  
   89    90    93    95    91    92    87  
   88    89    91    97  
    0  
   90    93    94    97    98    99   100   101    95    96    91    92  
   93    94    97    98    95    96    91  
   92    93    95  
    0  
   94    97    98    99   100   101   102    95    96  
   97    98    99   100   101    95  
   96    97    98  
    0  
   98    99   100   101  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    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   0.167500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   59   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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  1.510
   33    55   268.000  1.529
   33    57   268.000  1.529
   37    38   549.000  1.340
   37    40   317.000  1.510
   38    39   340.000  1.080
   38    41   320.000  1.462
   41    42   570.000  1.229
   41    51   214.000  1.327
   51    55   320.000  1.410
   55    56   340.000  1.090
   55    61   268.000  1.529
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    69   335.000  1.422
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    71   370.000  1.399
   71    72   360.000  1.097
   71    79   255.000  1.525
   71    97   370.000  1.399
   79    80   340.000  1.090
   79    85   268.000  1.529
   79    87   355.000  1.421
   85    86   340.000  1.090
   85    89   268.000  1.529
   85    91   355.000  1.421
   89    90   340.000  1.090
   89    93   268.000  1.529
   89    95   355.000  1.421
   93    94   340.000  1.090
   93    97   335.000  1.422
   93    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   355.000  1.421
  101   102   580.000  0.967
   95    96   580.000  0.967
   91    92   580.000  0.967
   87    88   580.000  0.967
   40    43   268.000  1.529
   40    45   275.000  1.510
   40    47   268.000  1.529
   43    44   340.000  1.090
   43    52   268.000  1.529
   43    70   268.000  1.529
   52    53   340.000  1.090
   52    57   268.000  1.529
   52    60   320.000  1.410
   57    58   570.000  1.307
   57    59   340.000  1.090
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    70   317.000  1.522
   70    73   268.000  1.529
   70    75   268.000  1.529
   73    74   340.000  1.090
   73    81   275.000  1.510
   73    83   320.000  1.410
   81    82   340.000  1.088
   81    45   260.000  1.509
   81    54   335.000  1.432
   45    46   340.000  1.088
   45    54   335.000  1.432
   83    84   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    75.00000  112.20000
   29    33    55    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    55    51    50.00000  109.50000
   33    55    56    37.50000  110.70000
   33    55    61    58.35000  112.70000
   33    57    52    58.35000  112.70000
   33    57    58    50.00000  109.50000
   33    57    59    37.50000  110.70000
   37    38    39    35.00000  120.00000
   37    38    41    65.00000  118.96000
   37    40    43    70.00000  112.02700
   37    40    45    70.00000  112.02700
   37    40    47    70.00000  112.02700
   38    41    42    80.00000  123.72100
   38    41    51    90.00000  111.29400
   41    38    39    40.00000  117.72500
   41    51    55    83.00000  116.90000
   51    41    42    83.00000  123.40000
   51    55    56    35.00000  109.50000
   51    55    61    50.00000  109.50000
   55    33    37    70.00000  112.02700
   55    61    62    37.50000  110.70000
   55    61    65    58.35000  112.70000
   55    61    69    95.00000  107.88500
   61    55    56    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   61    69    71    90.00000  112.10700
   65    61    62    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    61    62    55.00000  108.98800
   69    61    65    95.00000  107.88500
   69    71    72    60.00000  105.75400
   69    71    79    90.00000  109.70700
   69    71    97   110.00000  113.16000
   71    79    80    45.00000  109.54000
   71    79    85    70.00000  111.10000
   71    79    87    90.00000  109.42000
   71    97    93    90.00000  112.10700
   79    71    72    45.00000  111.65000
   79    85    86    37.50000  110.70000
   79    85    89    58.35000  112.70000
   79    85    91    90.00000  111.45300
   79    87    88    65.00000  108.53500
   85    79    80    37.50000  110.70000
   85    89    90    37.50000  110.70000
   85    89    93    58.35000  112.70000
   85    89    95    90.00000  111.45300
   85    91    92    65.00000  108.53500
   89    85    86    37.50000  110.70000
   89    93    94    37.50000  110.70000
   89    93    97    95.00000  107.88500
   89    93    98    58.35000  112.70000
   89    95    96    65.00000  108.53500
   93    89    90    37.50000  110.70000
   93    98    99    37.50000  110.70000
   93    98   100    37.50000  110.70000
   93    98   101    90.00000  111.45300
   97    71    72    60.00000  105.75400
   97    71    79    90.00000  109.70700
   97    93    94    55.00000  108.98800
   98    93    94    37.50000  110.70000
   98    93    97    95.00000  107.88500
   98   101   102    65.00000  108.53500
  100    98    99    33.00000  107.80000
  101    98    99    60.00000  109.39000
  101    98   100    60.00000  109.39000
   95    89    90    60.00000  109.39000
   95    89    93    90.00000  111.45300
   91    85    86    60.00000  109.39000
   91    85    89    90.00000  111.45300
   87    79    80    60.00000  109.39000
   87    79    85    90.00000  111.45300
   40    37    38    70.00000  124.00000
   40    43    44    37.50000  110.70000
   40    43    52    58.35000  112.70000
   40    43    70    58.35000  112.70000
   40    45    81    60.00000  120.94000
   40    45    46    40.00000  115.04500
   40    45    54    80.00000  116.47100
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   43    52    53    37.50000  110.70000
   43    52    57    58.35000  112.70000
   43    52    60    50.00000  109.50000
   43    70    63    63.00000  111.10000
   43    70    73    58.35000  112.70000
   43    70    75    58.35000  112.70000
   52    43    44    37.50000  110.70000
   52    57    58    50.00000  109.50000
   52    57    59    37.50000  110.70000
   52    60    63    83.00000  116.90000
   57    33    37    70.00000  112.02700
   57    33    55    58.35000  112.70000
   57    52    53    37.50000  110.70000
   59    57    58    45.00000  125.66300
   60    52    53    35.00000  109.50000
   60    52    57    50.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    70    81.00000  111.40000
   63    70    73    63.00000  111.10000
   63    70    75    63.00000  111.10000
   70    43    44    37.50000  110.70000
   70    43    52    58.35000  112.70000
   70    63    64    80.00000  120.40000
   70    73    74    37.50000  110.70000
   70    73    81    70.00000  112.37300
   70    73    83    50.00000  109.50000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    37.50000  110.70000
   73    81    82    40.00000  115.04500
   73    81    45    60.00000  120.94000
   73    81    54    80.00000  116.47100
   73    83    84    55.00000  108.50000
   81    73    74    45.00000  109.38400
   81    45    46    37.50000  117.20000
   81    45    54    15.00000   60.43100
   81    54    45    15.00000   59.14900
   45    40    43    70.00000  112.37300
   45    81    82    37.50000  117.20000
   54    81    82    50.00000  114.27700
   54    81    45    15.00000   60.43100
   54    45    46    50.00000  114.27700
   83    73    74    35.00000  109.50000
   83    73    81    50.00000  109.50000
   75    70    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   47    40    43    58.35000  112.70000
   47    40    45    70.00000  112.37300
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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
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   63    70    75    76  -0.11250  1.0 3.0
   63    70    75    77  -0.11250  1.0 3.0
   63    70    75    78  -0.11250  1.0 3.0
   64    63    70    43   0.30150 -1.0 2.0
   64    63    70    73   0.30150 -1.0 2.0
   64    63    70    75   0.30150 -1.0 2.0
   70    43    52    53   0.15000  1.0 3.0
   70    43    52    57   0.56750  1.0 1.0
   70    43    52    57  -0.07550 -1.0 2.0
   70    43    52    57   0.20000  1.0 3.0
   70    43   -52    60   0.62750  1.0 1.0
   70    43   -52    60  -0.30950 -1.0 2.0
   70    43   -52    60   0.27300  1.0 3.0
   70    73    81    82   0.15000  1.0 3.0
   70    73    81    45   0.07850  1.0 1.0
   70    73    81    45  -0.03950 -1.0 2.0
   70    73    81    45   0.67350  1.0 3.0
   70    73    81    54   0.02550  1.0 1.0
   70    73    81    54  -0.02600 -1.0 2.0
   70    73    81    54   1.20400  1.0 3.0
   70    73    83    84  -0.11600  1.0 1.0
   70    73    83    84  -0.09450 -1.0 2.0
   70    73    83    84   0.21250  1.0 3.0
   73    70    75    76   0.15000  1.0 3.0
   73    70    75    77   0.15000  1.0 3.0
   73    70    75    78   0.15000  1.0 3.0
   73    81   -45    40   0.56750  1.0 1.0
   73    81   -45    40  -0.07550 -1.0 2.0
   73    81   -45    40   0.20000  1.0 3.0
   73    81    45    46   0.15000  1.0 3.0
   73    81   -45    54   0.02550  1.0 1.0
   73    81   -45    54  -0.02600 -1.0 2.0
   73    81   -45    54   1.20400  1.0 3.0
   73    81   -54    45   0.06250  1.0 1.0
   73    81   -54    45  -0.01100 -1.0 2.0
   73    81   -54    45   0.28050  1.0 3.0
   74    73    81    82   0.15000  1.0 3.0
   74    73    81    45   0.15000  1.0 3.0
   74    73    81    54   0.23400  1.0 3.0
   74    73    83    84   0.19450  1.0 3.0
   81    73    83    84  -0.11600  1.0 1.0
   81    73    83    84  -0.09450 -1.0 2.0
   81    73    83    84   0.21250  1.0 3.0
   82    81    45    40   0.15000  1.0 3.0
   82    81    45    46   0.15000  1.0 3.0
   82    81   -45    54   0.23400  1.0 3.0
   82    81   -54    45   0.36800  1.0 3.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    52   0.47050  1.0 1.0
   45    40    43    52   0.03900 -1.0 2.0
   45    40    43    52   0.20100  1.0 3.0
   45    40   -43    70   0.47050  1.0 1.0
   45    40   -43    70   0.03900 -1.0 2.0
   45    40   -43    70   0.20100  1.0 3.0
   45    40    47    48   0.15000  1.0 3.0
   45    40    47    49   0.15000  1.0 3.0
   45    40    47    50   0.15000  1.0 3.0
   46    45   -54    81   0.36800  1.0 3.0
   54    81   -45    40   0.02550  1.0 1.0
   54    81   -45    40  -0.02600 -1.0 2.0
   54    81   -45    40   1.20400  1.0 3.0
   54    81   -45    46   0.23400  1.0 3.0
   83    73    81    82   0.23400  1.0 3.0
   83    73    81    45   0.86500  1.0 1.0
   83    73    81    45  -0.17500 -1.0 2.0
   83    73    81    45   0.20800  1.0 3.0
   83    73    81    54   3.69350  1.0 1.0
   83    73    81    54  -1.82950 -1.0 2.0
   75    70    73    74   0.15000  1.0 3.0
   75    70    73    81   0.47050  1.0 1.0
   75    70    73    81   0.03900 -1.0 2.0
   75    70    73    81   0.20100  1.0 3.0
   75    70    73    83   0.86500  1.0 1.0
   75    70    73    83  -0.17500 -1.0 2.0
   75    70    73    83   0.20800  1.0 3.0
   47    40    43    44   0.15000  1.0 3.0
   47    40    43    52   0.56750  1.0 1.0
   47    40    43    52  -0.07550 -1.0 2.0
   47    40    43    52   0.20000  1.0 3.0
   47    40    43    70   0.56750  1.0 1.0
   47    40    43    70  -0.07550 -1.0 2.0
   47    40    43    70   0.20000  1.0 3.0
   47    40    45    81   0.07850  1.0 1.0
   47    40    45    81  -0.03950 -1.0 2.0
   47    40    45    81   0.67350  1.0 3.0
   47    40    45    46   0.15000  1.0 3.0
   47    40    45    54   0.02550  1.0 1.0
   47    40    45    54  -0.02600 -1.0 2.0
   47    40    45    54   1.20400  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    40    37    38   1.10000 -1.0 2.0
   41    39    38    37   1.10000 -1.0 2.0
   38    51    41    42  10.50000 -1.0 2.0
   60    70    63    64  10.50000 -1.0 2.0
END
