* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    225    368     687
    1     0 S   NP   _N1_     1    28.47870    95.73243   -23.16290
    2     1 S   H    _HN1     2     1.02789   101.97269   -93.06122
    3     1 S   H    _H1_     3     1.02948    76.35894    13.20209
    4     1 S   H    _H2_     4     1.02828    35.41734   162.83756
    5     1 S   CT   _CA1     5     1.50119   139.83562   118.79664
    6     5 S   HC   _HA1     6     1.09573   105.17897    84.78096
    7     5 S   CO3  _C1_     7     1.53782   112.46748   -35.44167
    8     7 S   O2Z  _O11     8     1.26375   115.00537   -42.38550
    9     7 S   O2Z  _O12     9     1.26239   114.94735   136.68997
   10     5 S   CT   _CB1    10     1.53069   107.41215  -157.23746
   11    10 S   HC   HB11    11     1.09836   109.36164   -49.47672
   12    10 S   HC   HB12    12     1.09811   110.45816    67.13125
   13    10 S   CT   _CG1    13     1.52998   112.61511  -170.43080
   14    13 S   HC   HG11    14     1.09577   110.67324   -66.31436
   15    13 S   HC   HG12    15     1.09670   109.74916    52.92628
   16    13 S   C    _CD1    16     1.51802   112.13683   173.39342
   17    16 S   O    _OE1    17     1.22739   123.25030     9.16860
   18    16 S   N    _N2_    18     1.38649   111.73420  -170.92307
   19    18 S   H    _HN2    19     1.01574   118.95737     1.50623
   20    18 S   CT1  _CA2    20     1.46209   123.38454   177.20012
   21    20 S   HC   _HA2    21     1.09741   109.35353     4.98672
   22    20 S   C    _C2_    22     1.53614   108.62801  -110.49777
   23    22 S   O    _O2_    23     1.23070   122.27412  -147.57332
   24    20 S   CT   _CB2    32     1.53505   111.69661   126.99765
   25    24 S   HC   HB21    33     1.09501   109.47298    56.38502
   26    24 S   HC   HB22    34     1.09301   109.58864   174.99297
   27    22 S   N    _N3_    24     1.38322   113.76144    39.84547
   28    27 S   H    _HN3    25     1.01568   119.60976    -3.12938
   29    24 S   S    _SG2    35     1.83068   111.07831   -63.96103
   30    27 S   CT   _CA3    26     1.45285   123.24143   177.21421
   31    30 S   HC   HA31    27     1.09548   107.50108   -64.98655
   32    30 S   HC   HA32    28     1.09556   108.00175    51.46209
   33    29 S   CT   _C23    36     1.89987   103.06402  -168.12811
   34    30 S   CO3  _C3_    29     1.52967   114.06483   173.47577
   35    34 S   O2Z  _O31    30     1.26378   116.07609    -0.38359
   36    34 S   O2Z  _O32    31     1.26426   114.41461   179.67555
   37    33 S   CT   _C28    37     1.56927   106.17009    73.70378
   38    37 S   HC   _H40    38     1.09663   111.17246   -33.28398
   39    37 S   HC   _H41    39     1.09597   110.53265  -146.53290
   40    33 S   CT   _C22    98     1.56055   109.58695   -43.69133
   41    40 S   HC   _H8_    99     1.09625   110.04697    65.94489
   42    37 S   CT   _C27    40     1.53148   116.64604    92.87316
   43    42 S   HC   _H9_    41     1.09474   110.30378    93.37248
   44    40 S   OH   _O34   100     1.42804   111.33408   -52.24370
   45    44 S   HO   _H46   101     0.97229   107.83687   176.12172
   46    42 S   CT   _C26    42     1.51007   113.01870   -28.92466
   47    46 S   HC   _H38    43     1.09776   109.48343   -67.59178
   48    46 S   HC   _H39    44     1.09777   109.91555   178.72589
   49    42 S   OH   _O33   110     1.42698   109.48926  -150.24655
   50    49 S   HO   _H42   111     0.97250   107.52534   -57.44990
   51    46 S   CT   _C25    45     1.52599   113.41205    55.65089
   52    51 S   HC   _H36    46     1.09250   108.33043   101.71544
   53    51 S   HC   _H37    47     1.09939   106.25528  -147.53563
   54    33 S   CT   _C24    48     1.59989   109.37115  -166.47676
   55    54 S   CT   _C19    49     1.59541   108.64581   174.79971
   56    55 S   HC   _H6_    50     1.09555   107.49943    60.63658
   57    54 S   CT   _C29   106     1.56176   113.41701    54.58032
   58    57 S   HC   _H43   107     1.09068   113.54402    66.96082
   59    57 S   HC   _H44   108     1.09394   112.53057   -54.91102
   60    57 S   HC   _H45   109     1.09576   110.96324  -172.75489
   61    55 S   CT   _C18    51     1.55500   115.08927   176.77517
   62    61 S   HC   _H32    52     1.09365   110.62505    55.62796
   63    61 S   HC   _H33    53     1.09387   110.29733   -61.82279
   64    61 S   CT   _C17    54     1.54023   114.06064   178.49247
   65    64 S   HC   _H30    55     1.09776   108.60686    68.10251
   66    64 S   HC   _H31    56     1.09357   108.07010  -176.96675
   67    64 S   CT   _C16    57     1.53653   112.27641   -53.81716
   68    67 S   CT   _C15    58     1.54839   106.33674    56.52982
   69    68 S   HC   _H5_    59     1.10334   108.16299    55.92146
   70    67 S   CT   _C30   102     1.54760   110.07633   -67.24079
   71    70 S   HC   _H47   103     1.09448   112.42252  -177.65415
   72    70 S   HC   _H48   104     1.09305   112.82143    61.52287
   73    70 S   HC   _H49   105     1.09508   110.84622   -57.78160
   74    68 S   CT   _C14    60     1.52224   103.83861   168.06539
   75    74 S   HC   _H28    61     1.09484   112.08653  -155.15597
   76    74 S   HC   _H29    62     1.09579   111.54925    84.14271
   77    55 S   CT   _C20    93     1.56276   112.17072   -55.39152
   78    77 S   HC   _H7_    94     1.09403   109.85670   -62.94158
   79    74 S   CT   _C13    63     1.53411   104.06183   -34.94938
   80    79 S   HC   _H26    64     1.09599   109.25243   129.78483
   81    79 S   HC   _H27    65     1.09573   110.71380  -112.06330
   82    77 S   CT   _C21    95     1.53352   111.43147    55.87735
   83    82 S   HC   _H34    96     1.09548   109.66104    70.20066
   84    82 S   HC   _H35    97     1.09748   108.76386  -174.18695
   85    67 S   CT   _C12    66     1.56119   115.82906   165.84641
   86    85 S   HC   _H4_    67     1.09950   107.03658   -41.55199
   87    85 S   CT   _C5_    68     1.55299   119.30799    80.81675
   88    87 S   HC   _H3_    69     1.09795   108.37042    58.22636
   89    87 S   CT   _C4_    70     1.53170   112.76573   -59.97507
   90    89 S   HC   _H10    71     1.09457   111.70966   -47.78923
   91    89 S   HC   _H11    72     1.09268   111.07840    73.33542
   92    89 S   HC   _H12    73     1.09557   111.10919  -168.51298
   93    87 S   CT   _C6_    74     1.55175   113.01435   174.76868
   94    93 S   HC   _H13    75     1.09829   108.32538  -176.12091
   95    93 S   HC   _H14    76     1.09660   109.53059   -61.61549
   96    93 S   CT   _C7_    77     1.53386   115.25067    61.77713
   97    96 S   HC   _H15    78     1.09534   110.10978    57.58745
   98    96 S   HC   _H16    79     1.09370   109.56691   -60.55428
   99    96 S   CT   _C8_    80     1.53337   110.95947   178.54936
  100    99 S   HC   _H17    81     1.09756   109.35110    61.92271
  101    99 S   HC   _H18    82     1.09770   108.66601   -54.10488
  102    99 S   CT   _C9_    83     1.54008   113.47958  -175.17550
  103   102 S   HC   _H19    84     1.09737   108.70642    56.31289
  104   102 S   CT   _C10    85     1.52941   112.49313   -63.53490
  105   104 S   HC   _H20    86     1.09522   111.25805   -55.83302
  106   104 S   HC   _H21    87     1.09546   110.75224  -175.89936
  107   104 S   HC   _H22    88     1.09409   111.38611    64.98956
  108   102 S   CT   _C11    89     1.53076   109.79008   174.01313
  109   108 S   HC   _H23    90     1.09539   111.28460    61.95843
  110   108 S   HC   _H24    91     1.09521   110.83597  -177.78760
  111   108 S   HC   _H25    92     1.09516   110.83624   -58.31941
  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   9
   5   4  12   5   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   104   108  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102   103   104   105   106   107   108   109   110   111  
  101   102   103   104   108  
  102   103   104   108  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108  
  108  
  109   110   111  
  110   111  
  111  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  111   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   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   340.000  1.090
  102   104   268.000  1.529
  102   108   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   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    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    37.50000  110.70000
   96    99   100    37.50000  110.70000
   96    99   101    37.50000  110.70000
   96    99   102    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102   104    58.35000  112.70000
   99   102   108    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   104   105    37.50000  110.70000
  102   104   106    37.50000  110.70000
  102   104   107    37.50000  110.70000
  102   108   109    37.50000  110.70000
  102   108   110    37.50000  110.70000
  102   108   111    37.50000  110.70000
  104   102   103    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108   102   103    37.50000  110.70000
  108   102   104    58.35000  112.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    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
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   81    79    85    67   0.15000  1.0 3.0
   81    79    85    86   0.15000  1.0 3.0
   81    79    85    87   0.15000  1.0 3.0
   85    67    68    69   0.15000  1.0 3.0
   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   0.56750  1.0 1.0
   87    93    96    99  -0.07550 -1.0 2.0
   87    93    96    99   0.20000  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   0.15000  1.0 3.0
   93    96    99   102   0.56750  1.0 1.0
   93    96    99   102  -0.07550 -1.0 2.0
   93    96    99   102   0.20000  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   102   103   0.15000  1.0 3.0
   96    99   102   104   0.56750  1.0 1.0
   96    99   102   104  -0.07550 -1.0 2.0
   96    99   102   104   0.20000  1.0 3.0
   96    99   102   108   0.56750  1.0 1.0
   96    99   102   108  -0.07550 -1.0 2.0
   96    99   102   108   0.20000  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   0.15000  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   0.15000  1.0 3.0
   99   102   104   105   0.15000  1.0 3.0
   99   102   104   106   0.15000  1.0 3.0
   99   102   104   107   0.15000  1.0 3.0
   99   102   108   109   0.15000  1.0 3.0
   99   102   108   110   0.15000  1.0 3.0
   99   102   108   111   0.15000  1.0 3.0
  100    99   102   103   0.15000  1.0 3.0
  100    99   102   104   0.15000  1.0 3.0
  100    99   102   108   0.15000  1.0 3.0
  101    99   102   103   0.15000  1.0 3.0
  101    99   102   104   0.15000  1.0 3.0
  101    99   102   108   0.15000  1.0 3.0
  103   102   104   105   0.15000  1.0 3.0
  103   102   104   106   0.15000  1.0 3.0
  103   102   104   107   0.15000  1.0 3.0
  103   102   108   109   0.15000  1.0 3.0
  103   102   108   110   0.15000  1.0 3.0
  103   102   108   111   0.15000  1.0 3.0
  104   102   108   109   0.15000  1.0 3.0
  104   102   108   110   0.15000  1.0 3.0
  104   102   108   111   0.15000  1.0 3.0
  108   102   104   105   0.15000  1.0 3.0
  108   102   104   106   0.15000  1.0 3.0
  108   102   104   107   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
    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
END
