* LIGAND DATABASE FILE (OPLS2005)
*
001     110   114    217    354     655
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02031   104.49886   -34.35612
    3     1 S   H    _H1_     3     1.02096    68.39643    70.37941
    4     1 S   H    _H2_     4     1.02146    44.56953  -136.39019
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C23    36     1.85532    97.09410  -178.15857
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C18    37     1.55072   106.90771    60.02124
   38    33 S   CM   _C22    48     1.52718   107.37039   -61.26425
   39    33 S   CT   _C24   107     1.54595   108.82001  -179.72732
   40    39 S   HC   _H20   108     1.08269   108.91138    62.48297
   41    39 S   HC   _H21   109     1.08240   108.86405   -57.54321
   42    39 S   HC   _H22   110     1.08309   108.90929  -177.55848
   43    37 S   CM   _C17    38     1.34473   122.09454    77.28391
   44    43 S   HC   _H18    39     1.08461   121.63947    -2.15213
   45    38 S   OH   _O33    49     1.38564   118.37994   -68.51344
   46    45 S   HO   _H23    50     0.96111   109.49270    -0.46013
   47    43 S   CM   _C16    40     1.43661   123.39373   175.14699
   48    47 S   HC   _H17    41     1.08352   113.97073  -167.62144
   49    47 S   CM   _C15    42     1.34673   123.44510    12.06671
   50    49 S   CT   _C14    43     1.55857   118.77471     0.31959
   51    37 S   CM   _C19    44     1.47555   119.21142  -104.11860
   52    50 S   CT   _C13    53     1.55549   110.56571  -140.59542
   53    52 S   HC   _H15    54     1.09822   109.96368  -160.03020
   54    52 S   HC   _H16    55     1.09865   109.72573    84.57213
   55    50 S   CT   _C29   103     1.55199   110.24904    98.41155
   56    55 S   HC   _H32   104     1.08038   108.63039    59.04700
   57    55 S   HC   _H33   105     1.08113   108.59616   -61.02061
   58    55 S   HC   _H34   106     1.08061   108.56173   178.99790
   59    51 S   CM   _C20    45     1.34939   119.32543   -11.41463
   60    59 S   HC   _H19    46     1.08566   121.11191   177.86430
   61    52 S   CT   _C12    56     1.53213   116.57140   -38.14301
   62    61 S   HC   _H13    57     1.09456   106.29594   174.23282
   63    61 S   HC   _H14    58     1.09463   109.79822   -72.60819
   64    59 S   CM   _C21    47     1.43699   123.31319     0.90828
   65    61 S   CT   _C11    59     1.55994   113.45236    52.35514
   66    64 S   OH   _O34    51     1.37650   114.81212  -176.24370
   67    66 S   HO   _H24    52     0.96369   110.04180     0.00000
   68    65 S   CT   _C10    60     1.59328   110.29051   179.61386
   69    68 S   HC   _H3_    61     1.10152   102.29263    51.60178
   70    49 S   CT   _C25    79     1.56397   121.71312  -178.54653
   71    65 S   CT   _C30    99     1.55231   106.71629    58.81207
   72    71 S   HC   _H35   100     1.08065   108.57576  -180.00000
   73    71 S   HC   _H36   101     1.08048   108.54887    59.99957
   74    71 S   HC   _H37   102     1.08065   108.52610   -60.00353
   75    68 S   CT   _C9_    62     1.56403   116.12872   -59.19869
   76    75 S   HC   _H11    63     1.09346   110.83929    28.97929
   77    75 S   HC   _H12    64     1.10161   105.43529   140.85399
   78    70 S   CT   _C28    80     1.55741   106.66046  -106.85321
   79    78 S   HC   _H29    81     1.07880   108.31195   180.00000
   80    78 S   HC   _H30    82     1.07879   108.37315    59.97840
   81    78 S   HC   _H31    83     1.07872   108.29570   -60.09242
   82    75 S   CT   _C8_    65     1.54543   119.35730   -99.05843
   83    82 S   CT   _C7_    66     1.53054   113.60515   -37.94415
   84    83 S   HC   _H9_    67     1.09606   110.08982   -78.35461
   85    83 S   HC   _H10    68     1.09855   110.41984   165.95245
   86    82 S   CO4  _C32    88     1.50543   110.76470    86.14230
   87    86 S   O    _O35    89     1.22371   124.06701  -126.29661
   88    82 S   CT   _C31    95     1.54193   109.05862  -159.46935
   89    88 S   HC   _H38    96     1.08358   109.09429    61.53187
   90    88 S   HC   _H39    97     1.08408   109.03879   -58.44753
   91    88 S   HC   _H40    98     1.08358   109.03186  -178.39904
   92    83 S   CT   _C6_    69     1.52373   113.35681    44.15377
   93    92 S   HC   _H7_    70     1.09223   109.57548    70.66021
   94    92 S   HC   _H8_    71     1.09943   107.44888  -175.97708
   95    86 S   OS   _O36    90     1.36350   109.50880    53.77564
   96    68 S   CT   _C5_    72     1.57292   116.92988   165.67837
   97    95 S   CT   _C33    91     1.43100   115.45429   179.93744
   98    97 S   HC   _H41    92     1.09276   109.56814   179.97202
   99    97 S   HC   _H42    93     1.09361   109.54731    59.18734
  100    97 S   HC   _H43    94     1.09260   109.00732   -60.39470
  101    96 S   CT   _C27    73     1.55116   114.39331   -31.81827
  102   101 S   HC   _H27    74     1.09723   110.01611   -91.53486
  103   101 S   HC   _H28    75     1.09854   110.09807   155.12625
  104    96 S   CT   _C4_    84     1.55924   108.32719  -149.49627
  105   104 S   HC   _H4_    85     1.07841   108.16477   -56.94571
  106   104 S   HC   _H5_    86     1.07889   108.17452  -176.92279
  107   104 S   HC   _H6_    87     1.07775   108.24816    63.04205
  108   101 S   CT   _C26    76     1.52670   116.65467    31.53404
  109   108 S   HC   _H25    77     1.09605   109.09862    76.45147
  110   108 S   HC   _H26    78     1.09890   106.16285  -169.93151
  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  11   5   4   3
  16   2   1   1  18  13   7   2   1   1   8   4   4   1  10   3
  23  18  13  14   6   5   6   2   1   1   4   2  14   5   4   2
  22   1   1  26  10  16   7   2   1   1  17   6   5   7   3   2
   1  15  15   7   6  11   3   5   2   1   1  11   4   3   4  10
   3   2   1   1   9   5   4   4   2   1   1   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    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    51    64    38    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    47    50    51    59    64    38    45    46    66    39    40    41    42  
   35    36  
   36  
    0  
   43    44    47    48    49    50    51    59    60    64    38    45    52    55    39    40    41    42  
   45    46    66    67    39    40    41    42    43    51    59    60    64  
   40    41    42    43    45    51    64  
   41    42  
   42  
    0  
   44    47    48    49    50    51    59    70  
   47    48    49    51  
   46    66    59    64  
   64  
   48    49    50    51    52    65   108    70    78    55  
   49    50    70  
   50    51    59    52    53    54    61    65    68   101   108   109   110    70    78    79    80    81    71    55    56    57    58  
   51    59    60    64    52    53    54    61    62    63    65   108    70    78    55    56    57    58  
   59    60    64    66    52    53    54    61    70    55    56    57    58  
   53    54    61    62    63    65    68    70    71    55    56    57    58    59  
   54    61    62    63    65    55  
   61    62    63    65    55  
   56    57    58    59    61    70  
   57    58  
   58  
    0  
   60    64    66    67  
   64    66  
   62    63    65    68    69    75    96   108    70    78    71    72    73    74  
   63    65    68    70    71  
   65    68    70    71  
   66    67  
   68    69    75    76    77    82    92    96   101   108   109   110    70    78    79    80    81   104    71    72    73    74  
   67  
    0  
   69    75    76    77    82    83    92    93    94    96   101   102   103   108    70    78   104   105   106   107    86    88    71    72    73    74  
   75    76    77    82    92    96   101    70   104    71  
   78    79    80    81    71    72    73    74    75    96   101   102   103   108   109   110  
   72    73    74    75    78    96   108  
   73    74  
   74  
    0  
   76    77    82    83    84    85    92    96   101   104    86    87    95    88    89    90    91  
   77    82    83    96    86    88  
   82    83    96    86    88  
   79    80    81   101   108   109   110  
   80    81   108  
   81   108  
  108  
   83    84    85    92    93    94    96    86    87    95    97    88    89    90    91  
   84    85    92    93    94    96   101   104    86    87    95    88    89    90    91  
   85    92    93    94    96    86    88  
   92    93    94    96    86    88  
   87    95    97    98    99   100    88    89    90    91    92  
   95    97    88  
   89    90    91    92    95  
   90    91  
   91  
    0  
   93    94    96   101   102   103   108   104   105   106   107  
   94    96   101   104  
   96   101   104  
   97    98    99   100  
  101   102   103   108   109   110   104   105   106   107  
   98    99   100  
   99   100  
  100  
    0  
  102   103   108   109   110   104   105   106   107  
  103   108   109   110   104  
  108   109   110   104  
  105   106   107   108  
  106   107  
  107  
    0  
  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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   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   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   96   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   97   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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  -0.120000   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
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    38   317.000  1.510
   33    39   268.000  1.529
   37    43   549.000  1.340
   37    51   380.000  1.444
   43    44   340.000  1.080
   43    47   380.000  1.444
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   317.000  1.510
   49    70   317.000  1.510
   50    51   317.000  1.510
   50    52   268.000  1.529
   50    55   268.000  1.529
   51    59   549.000  1.340
   59    60   340.000  1.080
   59    64   380.000  1.444
   64    38   549.000  1.340
   64    66   510.000  1.338
   38    45   510.000  1.338
   45    46   553.000  0.945
   66    67   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   268.000  1.529
   65    68   268.000  1.529
   65    70   268.000  1.529
   65    71   268.000  1.529
   68    69   340.000  1.090
   68    75   268.000  1.529
   68    96   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    82   268.000  1.529
   82    83   268.000  1.529
   82    86   317.000  1.522
   82    88   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    96   268.000  1.529
   96   101   268.000  1.529
   96   104   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108    70   268.000  1.529
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   86    87   570.000  1.229
   86    95   214.000  1.327
   95    97   320.000  1.410
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    43    70.00000  124.00000
   33    37    51    70.00000  124.00000
   33    38    64    70.00000  124.00000
   33    38    45    90.00000  109.34000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    35.00000  120.00000
   37    43    47    70.00000  123.01800
   37    51    50    70.00000  124.00000
   37    51    59    70.00000  123.01800
   43    47    48    35.00000  120.00000
   43    47    49    70.00000  123.01800
   47    43    44    35.00000  120.00000
   47    49    50    70.00000  124.00000
   47    49    70    70.00000  124.00000
   49    47    48    35.00000  120.00000
   49    50    51    70.00000  110.12100
   49    50    52    70.00000  112.02700
   49    50    55    70.00000  112.02700
   49    70    65    70.00000  112.02700
   49    70   108    70.00000  112.02700
   49    70    78    70.00000  112.02700
   50    51    59    70.00000  124.00000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    61    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   51    37    43    70.00000  123.01800
   51    59    60    35.00000  120.00000
   51    59    64    70.00000  123.01800
   59    64    38    70.00000  123.01800
   59    64    66    80.00000  121.38400
   64    59    60    35.00000  120.00000
   64    38    45    80.00000  121.38400
   64    66    67    70.00000  107.45700
   38    33    37    70.00000  110.12100
   38    45    46    70.00000  107.45700
   66    64    38    80.00000  121.38400
   52    50    51    70.00000  112.02700
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    65    58.35000  112.70000
   54    52    53    33.00000  107.80000
   61    52    53    37.50000  110.70000
   61    52    54    37.50000  110.70000
   61    65    68    58.35000  112.70000
   61    65    70    58.35000  112.70000
   61    65    71    58.35000  112.70000
   63    61    62    33.00000  107.80000
   65    61    62    37.50000  110.70000
   65    61    63    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    75    58.35000  112.70000
   65    68    96    58.35000  112.70000
   65    70   108    58.35000  112.70000
   65    70    78    58.35000  112.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    82    58.35000  112.70000
   68    96    92    58.35000  112.70000
   68    96   101    58.35000  112.70000
   68    96   104    58.35000  112.70000
   75    68    69    37.50000  110.70000
   75    82    83    58.35000  112.70000
   75    82    86    63.00000  111.10000
   75    82    88    58.35000  112.70000
   77    75    76    33.00000  107.80000
   82    75    76    37.50000  110.70000
   82    75    77    37.50000  110.70000
   82    83    84    37.50000  110.70000
   82    83    85    37.50000  110.70000
   82    83    92    58.35000  112.70000
   82    86    87    80.00000  120.40000
   82    86    95    81.00000  111.40000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    91    37.50000  110.70000
   83    92    93    37.50000  110.70000
   83    92    94    37.50000  110.70000
   83    92    96    58.35000  112.70000
   85    83    84    33.00000  107.80000
   92    83    84    37.50000  110.70000
   92    83    85    37.50000  110.70000
   92    96   101    58.35000  112.70000
   92    96   104    58.35000  112.70000
   94    92    93    33.00000  107.80000
   96    68    69    37.50000  110.70000
   96    68    75    58.35000  112.70000
   96    92    93    37.50000  110.70000
   96    92    94    37.50000  110.70000
   96   101   102    37.50000  110.70000
   96   101   103    37.50000  110.70000
   96   101   108    58.35000  112.70000
   96   104   105    37.50000  110.70000
   96   104   106    37.50000  110.70000
   96   104   107    37.50000  110.70000
  101   108   109    37.50000  110.70000
  101   108   110    37.50000  110.70000
  101   108    70    58.35000  112.70000
  103   101   102    33.00000  107.80000
  108   101   102    37.50000  110.70000
  108   101   103    37.50000  110.70000
  108    70    78    58.35000  112.70000
  110   108   109    33.00000  107.80000
   70    49    50    65.00000  117.92700
   70    65    68    58.35000  112.70000
   70   108   109    37.50000  110.70000
   70   108   110    37.50000  110.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    81    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
  104    96   101    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   86    82    83    63.00000  111.10000
   86    95    97    83.00000  116.90000
   95    86    87    83.00000  123.40000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   88    82    83    58.35000  112.70000
   88    82    86    63.00000  111.10000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   71    65    68    58.35000  112.70000
   71    65    70    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   55    50    51    70.00000  112.02700
   55    50    52    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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
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   92    96   101   108  -0.07550 -1.0 2.0
   92    96   101   108   0.20000  1.0 3.0
   92    96   104   105   0.15000  1.0 3.0
   92    96   104   106   0.15000  1.0 3.0
   92    96   104   107   0.15000  1.0 3.0
   93    92    96    68   0.15000  1.0 3.0
   93    92    96   101   0.15000  1.0 3.0
   93    92    96   104   0.15000  1.0 3.0
   94    92    96    68   0.15000  1.0 3.0
   94    92    96   101   0.15000  1.0 3.0
   94    92    96   104   0.15000  1.0 3.0
   96    68    75    76   0.15000  1.0 3.0
   96    68    75    77   0.15000  1.0 3.0
   96    68   -75    82   0.56750  1.0 1.0
   96    68   -75    82  -0.07550 -1.0 2.0
   96    68   -75    82   0.20000  1.0 3.0
   96   101   108   109   0.15000  1.0 3.0
   96   101   108   110   0.15000  1.0 3.0
   96   101   108    70   0.56750  1.0 1.0
   96   101   108    70  -0.07550 -1.0 2.0
   96   101   108    70   0.20000  1.0 3.0
  101    96   104   105   0.15000  1.0 3.0
  101    96   104   106   0.15000  1.0 3.0
  101    96   104   107   0.15000  1.0 3.0
  101   108    70    49   0.34400  1.0 1.0
  101   108    70    49   0.09450 -1.0 2.0
  101   108    70    49   0.11100  1.0 3.0
  101   108   -70    65   0.56750  1.0 1.0
  101   108   -70    65  -0.07550 -1.0 2.0
  101   108   -70    65   0.20000  1.0 3.0
  101   108    70    78   0.56750  1.0 1.0
  101   108    70    78  -0.07550 -1.0 2.0
  101   108    70    78   0.20000  1.0 3.0
  102   101   108   109   0.15000  1.0 3.0
  102   101   108   110   0.15000  1.0 3.0
  102   101   108    70   0.15000  1.0 3.0
  103   101   108   109   0.15000  1.0 3.0
  103   101   108   110   0.15000  1.0 3.0
  103   101   108    70   0.15000  1.0 3.0
  108    70    78    79   0.15000  1.0 3.0
  108    70    78    80   0.15000  1.0 3.0
  108    70    78    81   0.15000  1.0 3.0
  109   108    70    49   0.15000  1.0 3.0
  109   108    70    65   0.15000  1.0 3.0
  109   108    70    78   0.15000  1.0 3.0
  110   108    70    49   0.15000  1.0 3.0
  110   108    70    65   0.15000  1.0 3.0
  110   108    70    78   0.15000  1.0 3.0
   70    49    50    51   0.09700  1.0 1.0
   70    49    50    51   0.15600 -1.0 2.0
   70    49    50    51  -0.50800  1.0 3.0
   70    49   -50    52   0.46850  1.0 1.0
   70    49   -50    52   0.08550 -1.0 2.0
   70    49   -50    52   0.09800  1.0 3.0
   70    49    50    55   0.46850  1.0 1.0
   70    49    50    55   0.08550 -1.0 2.0
   70    49    50    55   0.09800  1.0 3.0
   70    65    68    69   0.15000  1.0 3.0
   70    65    68    75   0.56750  1.0 1.0
   70    65    68    75  -0.07550 -1.0 2.0
   70    65    68    75   0.20000  1.0 3.0
   70    65   -68    96   0.56750  1.0 1.0
   70    65   -68    96  -0.07550 -1.0 2.0
   70    65   -68    96   0.20000  1.0 3.0
   70    65    71    72   0.15000  1.0 3.0
   70    65    71    73   0.15000  1.0 3.0
   70    65    71    74   0.15000  1.0 3.0
  104    96   101   102   0.15000  1.0 3.0
  104    96   101   103   0.15000  1.0 3.0
  104    96   101   108   0.56750  1.0 1.0
  104    96   101   108  -0.07550 -1.0 2.0
  104    96   101   108   0.20000  1.0 3.0
   86    82    83    84  -0.11250  1.0 3.0
   86    82    83    85  -0.11250  1.0 3.0
   86    82    83    92  -0.95700  1.0 1.0
   86    82    83    92  -0.18200 -1.0 2.0
   86    82    83    92   0.29450  1.0 3.0
   86    82    88    89  -0.11250  1.0 3.0
   86    82    88    90  -0.11250  1.0 3.0
   86    82    88    91  -0.11250  1.0 3.0
   86    95    97    98   0.08050  1.0 3.0
   86    95    97    99   0.08050  1.0 3.0
   86    95    97   100   0.08050  1.0 3.0
   87    86    95    97   3.00000 -1.0 2.0
   88    82    83    84   0.15000  1.0 3.0
   88    82    83    85   0.15000  1.0 3.0
   88    82    83    92   0.56750  1.0 1.0
   88    82    83    92  -0.07550 -1.0 2.0
   88    82    83    92   0.20000  1.0 3.0
   88    82    86    87   0.30150 -1.0 2.0
   88    82    86    95   0.36750  1.0 3.0
   71    65    68    69   0.15000  1.0 3.0
   71    65    68    75   0.56750  1.0 1.0
   71    65    68    75  -0.07550 -1.0 2.0
   71    65    68    75   0.20000  1.0 3.0
   71    65    68    96   0.56750  1.0 1.0
   71    65    68    96  -0.07550 -1.0 2.0
   71    65    68    96   0.20000  1.0 3.0
   71    65    70    49   0.34400  1.0 1.0
   71    65    70    49   0.09450 -1.0 2.0
   71    65    70    49   0.11100  1.0 3.0
   71    65    70   108   0.56750  1.0 1.0
   71    65    70   108  -0.07550 -1.0 2.0
   71    65    70   108   0.20000  1.0 3.0
   71    65    70    78   0.56750  1.0 1.0
   71    65    70    78  -0.07550 -1.0 2.0
   71    65    70    78   0.20000  1.0 3.0
   55    50    51    37   0.98200  1.0 1.0
   55    50    51    37  -0.11900 -1.0 2.0
   55    50    51    37   0.24250  1.0 3.0
   55    50    51    59   0.09850  1.0 1.0
   55    50    51    59   0.15250 -1.0 2.0
   55    50    51    59  -0.50650  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    61   0.56750  1.0 1.0
   55    50    52    61  -0.07550 -1.0 2.0
   55    50    52    61   0.20000  1.0 3.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    37    51   0.98200  1.0 1.0
   39    33    37    51  -0.11900 -1.0 2.0
   39    33    37    51   0.24250  1.0 3.0
   39    33    38    64   0.09850  1.0 1.0
   39    33    38    64   0.15250 -1.0 2.0
   39    33    38    64  -0.50650  1.0 3.0
   39    33    38    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  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    51    37    43   1.10000 -1.0 2.0
   47    44    43    37   1.10000 -1.0 2.0
   43    48    47    49   1.10000 -1.0 2.0
   50    70    49    47   1.10000 -1.0 2.0
   37    50    51    59   1.10000 -1.0 2.0
   64    60    59    51   1.10000 -1.0 2.0
   59    66    64    38   1.10000 -1.0 2.0
   33    45    38    64   1.10000 -1.0 2.0
   82    95    86    87  10.50000 -1.0 2.0
END
