* LIGAND DATABASE FILE (OPLS2005)
*
001     110   114    226    371     680
    1     0 S   NP   _N1_     1    28.73399    96.65373   -22.34396
    2     1 S   H    _HN1     2     1.02828    41.81685   162.16684
    3     1 S   H    _H1_     3     1.02785    96.89780   -88.63313
    4     1 S   H    _H2_     4     1.02951    72.86817    18.50773
    5     1 S   CT   _CA1     5     1.50109   146.80387   119.76549
    6     5 S   HC   _HA1     6     1.09573   105.20321    87.97703
    7     5 S   CO3  _C1_     7     1.53790   112.45478   -32.26941
    8     7 S   O2Z  _O11     8     1.26372   115.00922   -42.82989
    9     7 S   O2Z  _O12     9     1.26240   114.94390   136.31630
   10     5 S   CT   _CB1    10     1.53078   107.41912  -154.04231
   11    10 S   HC   HB11    11     1.09833   109.37795   -49.79888
   12    10 S   HC   HB12    12     1.09813   110.44416    66.80739
   13    10 S   CT   _CG1    13     1.52985   112.60451  -170.78518
   14    13 S   HC   HG11    14     1.09586   110.61515   -65.32234
   15    13 S   HC   HG12    15     1.09669   109.81114    53.91469
   16    13 S   C    _CD1    16     1.51793   112.23833   174.36320
   17    16 S   O    _OE1    17     1.22729   123.29592     5.96082
   18    16 S   N    _N2_    18     1.38646   111.64557  -174.13890
   19    18 S   H    _HN2    19     1.01576   118.94949     1.78202
   20    18 S   CT1  _CA2    20     1.46242   123.39857   177.90566
   21    20 S   HC   _HA2    21     1.09745   109.39450     1.73956
   22    20 S   C    _C2_    22     1.53572   108.45317  -113.67725
   23    22 S   O    _O2_    23     1.23050   122.35019  -147.41690
   24    20 S   CT   _CB2    32     1.53656   111.61395   123.77646
   25    24 S   HC   HB21    33     1.09382   108.97810    56.43939
   26    24 S   HC   HB22    34     1.09076   109.20851   175.02787
   27    22 S   N    _N3_    24     1.38352   113.65125    40.00489
   28    27 S   H    _HN3    25     1.01589   119.56951    -3.34082
   29    24 S   S    _SG2    35     1.82974   110.63936   -64.32817
   30    27 S   CT   _CA3    26     1.45286   123.20924   177.12812
   31    30 S   HC   HA31    27     1.09550   107.50217   -64.62949
   32    30 S   HC   HA32    28     1.09558   107.99114    51.80655
   33    29 S   CT   _C21    36     1.91668   104.42338  -177.24373
   34    30 S   CO3  _C3_    29     1.52960   114.08614   173.79657
   35    34 S   O2Z  _O31    30     1.26375   116.07157    -1.08408
   36    34 S   O2Z  _O32    31     1.26429   114.41410   178.98606
   37    33 S   CT   _C11    37     1.54716   108.77866   -45.57201
   38    37 S   HC   _H46    38     1.09739   110.26766   174.66373
   39    37 S   HC   _H47    39     1.09621   111.82185    61.33445
   40    33 S   CT   _C17    97     1.55584   109.26315    76.96522
   41    40 S   HC   _H53    98     1.09552   108.95135  -179.23383
   42    37 S   CT   _C16    40     1.53476   113.28038   -63.02137
   43    42 S   HC   _H52    41     1.09485   110.65271    70.60486
   44    40 S   OH   _O30    99     1.42417   111.92587   -63.94631
   45    44 S   HO   _H76   100     0.97243   107.80139  -179.23179
   46    42 S   CT   _C7_    42     1.52660   113.04365   -51.72490
   47    46 S   HC   _H38    43     1.09721   109.67252   -75.84007
   48    46 S   HC   _H39    44     1.09764   109.13183   170.33130
   49    42 S   OH   _O29   109     1.42674   109.22944  -172.33963
   50    49 S   HO   _H75   110     0.97247   107.51498   -58.08146
   51    46 S   CT   _C9_    45     1.53252   113.81928    47.92403
   52    51 S   HC   _H42    46     1.09586   109.19875    72.99852
   53    51 S   HC   _H43    47     1.09677   107.45906  -173.06984
   54    33 S   CT   _C20    48     1.60336   109.16659  -164.91448
   55    54 S   CT   _C13    49     1.58171   109.27405   -60.19969
   56    55 S   HC   _H49    50     1.09759   107.49507    60.69405
   57    54 S   CT   _C24   105     1.56433   112.03122   179.46405
   58    57 S   HC   _H58   106     1.09172   113.30458    66.80786
   59    57 S   HC   _H59   107     1.09250   112.95335   -54.16600
   60    57 S   HC   _H60   108     1.09547   111.07309  -172.92027
   61    55 S   CT   _C5_    51     1.54916   115.01605   175.78695
   62    61 S   HC   _H34    52     1.09397   110.74680    57.79226
   63    61 S   HC   _H35    53     1.09560   109.85361   -59.53840
   64    61 S   CT   _C8_    54     1.54172   113.08307  -179.53775
   65    64 S   HC   _H40    55     1.09772   108.61641    67.61161
   66    64 S   HC   _H41    56     1.09294   107.85689  -177.55680
   67    64 S   CT   _C19    57     1.54076   112.42879   -54.18034
   68    67 S   CT   _C12    58     1.55275   106.61102    55.81575
   69    68 S   HC   _H48    59     1.10323   108.19624    56.60141
   70    67 S   CT   _C23   101     1.54842   109.98630   -67.91857
   71    70 S   HC   _H55   102     1.09446   112.43312  -177.94843
   72    70 S   HC   _H56   103     1.09296   112.80550    61.14804
   73    70 S   HC   _H57   104     1.09465   110.99360   -58.15349
   74    68 S   CT   _C4_    60     1.51969   103.86842   168.81095
   75    74 S   HC   _H32    61     1.09482   112.16663  -156.21675
   76    74 S   HC   _H33    62     1.09569   111.62215    83.01916
   77    55 S   CT   _C14    92     1.56214   111.92680   -56.38338
   78    77 S   HC   _H50    93     1.09446   109.35252   -66.20738
   79    74 S   CT   _C6_    63     1.53349   103.75565   -36.03599
   80    79 S   HC   _H36    64     1.09602   109.42403   131.59082
   81    79 S   HC   _H37    65     1.09599   110.32151  -110.28261
   82    77 S   CT   _C10    94     1.53656   112.60309    51.80620
   83    82 S   HC   _H44    95     1.09681   110.70040    74.55093
   84    82 S   HC   _H45    96     1.09804   109.52097  -170.78527
   85    67 S   CT   _C15    66     1.56229   116.08348   165.37439
   86    85 S   HC   _H51    67     1.10094   107.58825   -41.31032
   87    85 S   CT   _C30    68     1.55872   119.85109    81.11235
   88    87 S   HC   _H74    69     1.09739   108.73328    62.08363
   89    87 S   CT   _C27    70     1.53205   112.14161   -57.19960
   90    89 S   HC   _H67    71     1.09489   111.24467   -53.75013
   91    89 S   HC   _H68    72     1.09132   111.35021    67.63144
   92    89 S   HC   _H69    73     1.09306   112.07832  -174.67870
   93    87 S   CT   _C29    74     1.55255   110.19495   179.73459
   94    93 S   HC   _H72    75     1.09744   109.57841    65.53774
   95    93 S   HC   _H73    76     1.09591   109.78296   -50.50634
   96    93 S   CT   _C28    77     1.53346   114.19034  -171.13552
   97    96 S   HC   _H70    78     1.09654   109.47073    52.05888
   98    96 S   HC   _H71    79     1.09343   110.97667   -65.32639
   99    96 S   C3T  _C18    80     1.49766   110.90735   171.38432
  100    99 S   HC   _H54    81     1.08311   112.58034   -71.77806
  101    99 S   C3T  _C22    82     1.51989   124.07787    83.68116
  102    99 S   O3T  _O28    83     1.43544   114.38251   150.44490
  103   101 S   CT   _C25    84     1.49634   121.81776    -0.51851
  104   103 S   HC   _H61    85     1.09521   110.45929   154.68475
  105   103 S   HC   _H62    86     1.09384   112.80444    34.82095
  106   103 S   HC   _H63    87     1.09459   110.10308   -86.06701
  107   101 S   CT   _C26    88     1.49708   118.41849  -158.82444
  108   107 S   HC   _H64    89     1.09488   110.58426  -143.64056
  109   107 S   HC   _H65    90     1.09469   110.19270    96.63667
  110   107 S   HC   _H66    91     1.09531   111.97672   -23.45482
  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  13   5   4   3
  26   2   1   1  17   7   6  14   7  10   6   6   1  10   6   5
   2   1  11   4   3  14  20   9   5   2   1   1  12   6   5  15
   5   4  21  19   9   9   3   2   1  11   6   5   6   3   8   4
   3   2   1   1  11   4  12   8   7   3   2   1   9   5   4   8
   5   4  11   4   9   8   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    51    54    55    82    40    41    44    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    46    51    52    53    54    55    56    61    77    82    83    84    40    41    44    45    57    58    59    60    49  
   35    36  
   36  
    0  
   38    39    42    43    46    47    48    51    54    55    82    40    41    44    57    49    50  
   39    42    43    46    54    40    49  
   42    43    46    54    40    49  
   41    44    45    57    42    51    54    55    68    77    78    82    83    84  
   44    45    54    77    82    83    84  
   43    46    47    48    51    52    53    54    49    50  
   46    47    48    51    49    50  
   45    54    77    82    83    84  
   82  
   47    48    51    52    53    54    55    57    49    50  
   48    51    52    53    54    49  
   51    52    53    54    49  
   50    51  
    0  
   52    53    54    55    56    61    77    57    58    59    60  
   53    54    55    57  
   54    55    57  
   55    56    61    62    63    64    68    77    78    82    57    58    59    60  
   56    61    62    63    64    65    66    67    68    69    74    77    78    82    83    84    57    58    59    60  
   61    62    63    64    68    77    78    82    57  
   58    59    60    61    77  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    85    77    78    82    70  
   63    64    65    66    67    77  
   64    65    66    67    77  
   65    66    67    68    69    74    79    85    86    87    77    70    71    72    73  
   66    67    68    85    70  
   67    68    85    70  
   68    69    74    75    76    79    80    81    85    86    87    88    89    93    77    78    82    70    71    72    73  
   69    74    75    76    79    80    81    85    86    87    77    78    82    83    84    70    71    72    73  
   74    75    76    79    85    77    78    82    70  
   71    72    73    74    77    79    85    86    87  
   72    73    85  
   73    85  
   85  
   75    76    79    80    81    85    86    87    77    78    82  
   76    79    80    81    85    77  
   79    80    81    85    77  
   78    82    83    84    79    85  
   82    83    84  
   80    81    85    86    87    88    89    93  
   81    85    86    87  
   85    86    87  
   83    84  
   84  
    0  
   86    87    88    89    90    91    92    93    94    95    96  
   87    88    89    93  
   88    89    90    91    92    93    94    95    96    97    98    99  
   89    90    91    92    93    94    95    96  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93  
   94    95    96    97    98    99   100   101   102  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99   100   101   102   103   107  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102   103   104   105   106   107   108   109   110  
  101   102   103   107  
  102   103   104   105   106   107   108   109   110  
  103   104   105   106   107   108   109   110  
  104   105   106   107   108   109   110  
  105   106   107  
  106   107  
  107  
  108   109   110  
  109   110  
  110  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
  102   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   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   268.000  1.529
   33    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   268.000  1.529
   54    57   268.000  1.529
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    77   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   268.000  1.529
   67    85   268.000  1.529
   67    70   268.000  1.529
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    86   340.000  1.090
   85    87   268.000  1.529
   87    88   340.000  1.090
   87    89   268.000  1.529
   87    93   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   275.000  1.510
   99   100   340.000  1.088
   99   101   260.000  1.509
   99   102   335.000  1.432
  101   102   335.000  1.432
  101   103   275.000  1.510
  101   107   275.000  1.510
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   77    78   340.000  1.090
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    40   268.000  1.529
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    45   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   49    50   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    54    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    54    51    58.35000  112.70000
   33    54    55    58.35000  112.70000
   33    54    57    58.35000  112.70000
   33    40    82    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    46    58.35000  112.70000
   37    42    49    50.00000  109.50000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    51    58.35000  112.70000
   42    49    50    55.00000  108.50000
   46    42    43    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    54    55    58.35000  112.70000
   51    54    57    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    33    37    58.35000  112.70000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    55    56    37.50000  110.70000
   54    55    61    58.35000  112.70000
   54    55    77    58.35000  112.70000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    58.35000  112.70000
   55    77    68    58.35000  112.70000
   55    77    78    37.50000  110.70000
   55    77    82    58.35000  112.70000
   61    55    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    58.35000  112.70000
   64    67    85    58.35000  112.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    74    58.35000  112.70000
   67    68    77    58.35000  112.70000
   67    85    79    58.35000  112.70000
   67    85    86    37.50000  110.70000
   67    85    87    58.35000  112.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    79    58.35000  112.70000
   68    77    78    37.50000  110.70000
   68    77    82    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    85    58.35000  112.70000
   76    74    75    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    37.50000  110.70000
   79    85    86    37.50000  110.70000
   79    85    87    58.35000  112.70000
   81    79    80    33.00000  107.80000
   85    67    68    58.35000  112.70000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   85    87    88    37.50000  110.70000
   85    87    89    58.35000  112.70000
   85    87    93    58.35000  112.70000
   87    85    86    37.50000  110.70000
   87    89    90    37.50000  110.70000
   87    89    91    37.50000  110.70000
   87    89    92    37.50000  110.70000
   87    93    94    37.50000  110.70000
   87    93    95    37.50000  110.70000
   87    93    96    58.35000  112.70000
   89    87    88    37.50000  110.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    87    88    37.50000  110.70000
   93    87    89    58.35000  112.70000
   93    96    97    37.50000  110.70000
   93    96    98    37.50000  110.70000
   93    96    99    70.00000  112.37300
   95    93    94    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    37.50000  110.70000
   96    99   100    40.00000  115.04500
   96    99   101    60.00000  120.94000
   96    99   102    80.00000  116.47100
   98    96    97    33.00000  107.80000
   99    96    97    45.00000  109.38400
   99    96    98    45.00000  109.38400
   99   101   102    15.00000   60.43100
   99   101   103    60.00000  120.94000
   99   101   107    60.00000  120.94000
   99   102   101    15.00000   59.14900
  101    99   100    37.50000  117.20000
  101   103   104    45.00000  109.38400
  101   103   105    45.00000  109.38400
  101   103   106    45.00000  109.38400
  101   107   108    45.00000  109.38400
  101   107   109    45.00000  109.38400
  101   107   110    45.00000  109.38400
  102    99   100    50.00000  114.27700
  102    99   101    15.00000   60.43100
  103   101   102    80.00000  116.47100
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107   101   102    80.00000  116.47100
  107   101   103    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   77    55    56    37.50000  110.70000
   77    55    61    58.35000  112.70000
   77    68    69    37.50000  110.70000
   77    68    74    58.35000  112.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    40    58.35000  112.70000
   82    77    78    37.50000  110.70000
   82    40    41    37.50000  110.70000
   82    40    44    50.00000  109.50000
   84    82    83    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    82    83    37.50000  110.70000
   40    82    84    37.50000  110.70000
   40    44    45    55.00000  108.50000
   44    40    41    35.00000  109.50000
   70    67    68    58.35000  112.70000
   70    67    85    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   57    54    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    46    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
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   85    67   -68    74   0.56750  1.0 1.0
   85    67   -68    74  -0.07550 -1.0 2.0
   85    67   -68    74   0.20000  1.0 3.0
   85    67    68    77   0.56750  1.0 1.0
   85    67    68    77  -0.07550 -1.0 2.0
   85    67    68    77   0.20000  1.0 3.0
   85    67    70    71   0.15000  1.0 3.0
   85    67    70    72   0.15000  1.0 3.0
   85    67    70    73   0.15000  1.0 3.0
   85    87    89    90   0.15000  1.0 3.0
   85    87    89    91   0.15000  1.0 3.0
   85    87    89    92   0.15000  1.0 3.0
   85    87    93    94   0.15000  1.0 3.0
   85    87    93    95   0.15000  1.0 3.0
   85    87    93    96   0.56750  1.0 1.0
   85    87    93    96  -0.07550 -1.0 2.0
   85    87    93    96   0.20000  1.0 3.0
   86    85    87    88   0.15000  1.0 3.0
   86    85    87    89   0.15000  1.0 3.0
   86    85    87    93   0.15000  1.0 3.0
   87    93    96    97   0.15000  1.0 3.0
   87    93    96    98   0.15000  1.0 3.0
   87    93    96    99   0.47050  1.0 1.0
   87    93    96    99   0.03900 -1.0 2.0
   87    93    96    99   0.20100  1.0 3.0
   88    87    89    90   0.15000  1.0 3.0
   88    87    89    91   0.15000  1.0 3.0
   88    87    89    92   0.15000  1.0 3.0
   88    87    93    94   0.15000  1.0 3.0
   88    87    93    95   0.15000  1.0 3.0
   88    87    93    96   0.15000  1.0 3.0
   89    87    93    94   0.15000  1.0 3.0
   89    87    93    95   0.15000  1.0 3.0
   89    87    93    96   0.56750  1.0 1.0
   89    87    93    96  -0.07550 -1.0 2.0
   89    87    93    96   0.20000  1.0 3.0
   93    87    89    90   0.15000  1.0 3.0
   93    87    89    91   0.15000  1.0 3.0
   93    87    89    92   0.15000  1.0 3.0
   93    96    99   100   0.15000  1.0 3.0
   93    96    99   101   0.07850  1.0 1.0
   93    96    99   101  -0.03950 -1.0 2.0
   93    96    99   101   0.67350  1.0 3.0
   93    96    99   102   0.02550  1.0 1.0
   93    96    99   102  -0.02600 -1.0 2.0
   93    96    99   102   1.20400  1.0 3.0
   94    93    96    97   0.15000  1.0 3.0
   94    93    96    98   0.15000  1.0 3.0
   94    93    96    99   0.15000  1.0 3.0
   95    93    96    97   0.15000  1.0 3.0
   95    93    96    98   0.15000  1.0 3.0
   95    93    96    99   0.15000  1.0 3.0
   96    99  -101   102   0.02550  1.0 1.0
   96    99  -101   102  -0.02600 -1.0 2.0
   96    99  -101   102   1.20400  1.0 3.0
   96    99   101   103   0.56750  1.0 1.0
   96    99   101   103  -0.07550 -1.0 2.0
   96    99   101   103   0.20000  1.0 3.0
   96    99   101   107   0.56750  1.0 1.0
   96    99   101   107  -0.07550 -1.0 2.0
   96    99   101   107   0.20000  1.0 3.0
   96    99  -102   101   0.06250  1.0 1.0
   96    99  -102   101  -0.01100 -1.0 2.0
   96    99  -102   101   0.28050  1.0 3.0
   97    96    99   100   0.15000  1.0 3.0
   97    96    99   101   0.15000  1.0 3.0
   97    96    99   102   0.23400  1.0 3.0
   98    96    99   100   0.15000  1.0 3.0
   98    96    99   101   0.15000  1.0 3.0
   98    96    99   102   0.23400  1.0 3.0
   99   101   103   104   0.15000  1.0 3.0
   99   101   103   105   0.15000  1.0 3.0
   99   101   103   106   0.15000  1.0 3.0
   99   101   107   108   0.15000  1.0 3.0
   99   101   107   109   0.15000  1.0 3.0
   99   101   107   110   0.15000  1.0 3.0
  100    99  -101   102   0.23400  1.0 3.0
  100    99   101   103   0.15000  1.0 3.0
  100    99   101   107   0.15000  1.0 3.0
  100    99  -102   101   0.36800  1.0 3.0
  102    99  -101   103   0.02550  1.0 1.0
  102    99  -101   103  -0.02600 -1.0 2.0
  102    99  -101   103   1.20400  1.0 3.0
  102    99  -101   107   0.02550  1.0 1.0
  102    99  -101   107  -0.02600 -1.0 2.0
  102    99  -101   107   1.20400  1.0 3.0
  102   101   103   104   0.23400  1.0 3.0
  102   101   103   105   0.23400  1.0 3.0
  102   101   103   106   0.23400  1.0 3.0
  102   101   107   108   0.23400  1.0 3.0
  102   101   107   109   0.23400  1.0 3.0
  102   101   107   110   0.23400  1.0 3.0
  103   101  -102    99   0.06250  1.0 1.0
  103   101  -102    99  -0.01100 -1.0 2.0
  103   101  -102    99   0.28050  1.0 3.0
  103   101   107   108   0.15000  1.0 3.0
  103   101   107   109   0.15000  1.0 3.0
  103   101   107   110   0.15000  1.0 3.0
  107   101  -102    99   0.06250  1.0 1.0
  107   101  -102    99  -0.01100 -1.0 2.0
  107   101  -102    99   0.28050  1.0 3.0
  107   101   103   104   0.15000  1.0 3.0
  107   101   103   105   0.15000  1.0 3.0
  107   101   103   106   0.15000  1.0 3.0
   77    55    61    62   0.15000  1.0 3.0
   77    55    61    63   0.15000  1.0 3.0
   77    55   -61    64   0.56750  1.0 1.0
   77    55   -61    64  -0.07550 -1.0 2.0
   77    55   -61    64   0.20000  1.0 3.0
   77    68    74    75   0.15000  1.0 3.0
   77    68    74    76   0.15000  1.0 3.0
   77    68    74    79   0.56750  1.0 1.0
   77    68    74    79  -0.07550 -1.0 2.0
   77    68    74    79   0.20000  1.0 3.0
   77    82   -40    33   0.56750  1.0 1.0
   77    82   -40    33  -0.07550 -1.0 2.0
   77    82   -40    33   0.20000  1.0 3.0
   77    82    40    41   0.15000  1.0 3.0
   77    82    40    44   0.86500  1.0 1.0
   77    82    40    44  -0.17500 -1.0 2.0
   77    82    40    44   0.20800  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    40   0.15000  1.0 3.0
   82    40    44    45  -0.11600  1.0 1.0
   82    40    44    45  -0.09450 -1.0 2.0
   82    40    44    45   0.21250  1.0 3.0
   83    82    40    33   0.15000  1.0 3.0
   83    82    40    41   0.15000  1.0 3.0
   83    82    40    44   0.23400  1.0 3.0
   84    82    40    33   0.15000  1.0 3.0
   84    82    40    41   0.15000  1.0 3.0
   84    82    40    44   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    54    51   0.56750  1.0 1.0
   40    33    54    51  -0.07550 -1.0 2.0
   40    33    54    51   0.20000  1.0 3.0
   40    33   -54    55   0.56750  1.0 1.0
   40    33   -54    55  -0.07550 -1.0 2.0
   40    33   -54    55   0.20000  1.0 3.0
   40    33    54    57   0.56750  1.0 1.0
   40    33    54    57  -0.07550 -1.0 2.0
   40    33    54    57   0.20000  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   70    67    68    69   0.15000  1.0 3.0
   70    67    68    74   0.56750  1.0 1.0
   70    67    68    74  -0.07550 -1.0 2.0
   70    67    68    74   0.20000  1.0 3.0
   70    67    68    77   0.56750  1.0 1.0
   70    67    68    77  -0.07550 -1.0 2.0
   70    67    68    77   0.20000  1.0 3.0
   70    67    85    79   0.56750  1.0 1.0
   70    67    85    79  -0.07550 -1.0 2.0
   70    67    85    79   0.20000  1.0 3.0
   70    67    85    86   0.15000  1.0 3.0
   70    67    85    87   0.56750  1.0 1.0
   70    67    85    87  -0.07550 -1.0 2.0
   70    67    85    87   0.20000  1.0 3.0
   57    54    55    56   0.15000  1.0 3.0
   57    54    55    61   0.56750  1.0 1.0
   57    54    55    61  -0.07550 -1.0 2.0
   57    54    55    61   0.20000  1.0 3.0
   57    54    55    77   0.56750  1.0 1.0
   57    54    55    77  -0.07550 -1.0 2.0
   57    54    55    77   0.20000  1.0 3.0
   49    42    46    47   0.23400  1.0 3.0
   49    42    46    48   0.23400  1.0 3.0
   49    42    46    51   0.86500  1.0 1.0
   49    42    46    51  -0.17500 -1.0 2.0
   49    42    46    51   0.20800  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
END
