* LIGAND DATABASE FILE (OPLS2005)
*
001     104   108    203    329     610
    1     0 S   NP   _N1_     1    28.97504    95.24724   -18.92062
    2     1 S   H    _HN1     2     1.02954    88.57140     1.17220
    3     1 S   H    _H1_     3     1.02836    44.64736   117.56978
    4     1 S   H    _H2_     4     1.02779    76.15023  -108.06823
    5     1 S   CT   _CA1     5     1.50097   154.04438   139.51526
    6     5 S   HC   _HA1     6     1.09577   105.28362    43.05230
    7     5 S   CO3  _C1_     7     1.53985   112.14658   -77.15149
    8     7 S   O2Z  _O11     8     1.26372   114.99943   -49.12330
    9     7 S   O2Z  _O12     9     1.26235   115.04630   129.88705
   10     5 S   CT   _CB1    10     1.53186   107.37744   160.92008
   11    10 S   HC   HB11    11     1.09805   109.79179   -50.29891
   12    10 S   HC   HB12    12     1.09808   110.34912    66.50685
   13    10 S   CT   _CG1    13     1.52827   112.13802  -171.27476
   14    13 S   HC   HG11    14     1.09399   109.80463   -58.64300
   15    13 S   HC   HG12    15     1.09597   110.03349    60.54997
   16    13 S   C    _CD1    16     1.51631   112.90619  -178.34035
   17    16 S   O    _OE1    17     1.22706   123.24610    -3.23416
   18    16 S   N    _N2_    18     1.38728   111.51400   176.29424
   19    18 S   H    _HN2    19     1.01634   118.99760     3.64755
   20    18 S   CT1  _CA2    20     1.46295   123.34673  -175.50752
   21    20 S   HC   _HA2    21     1.09732   109.22812    -2.43124
   22    20 S   C    _C2_    22     1.53394   109.12912  -118.36340
   23    22 S   O    _O2_    23     1.23044   122.07021  -148.38695
   24    20 S   CT   _CB2    32     1.53630   111.26558   118.99781
   25    24 S   HC   HB21    33     1.09309   109.40542    63.01668
   26    24 S   HC   HB22    34     1.09540   110.21565  -179.22975
   27    22 S   N    _N3_    24     1.38461   113.64199    39.14323
   28    27 S   H    _HN3    25     1.01495   118.94194    -0.85157
   29    24 S   S    _SG2    35     1.83341   110.85395   -60.13857
   30    27 S   CT   _CA3    26     1.45441   123.42117   175.15184
   31    30 S   HC   HA31    27     1.09526   109.21439    25.16184
   32    30 S   HC   HA32    28     1.09497   107.13104   142.13245
   33    29 S   CT   _C21    36     1.88661   102.42516   149.85420
   34    30 S   CO3  _C3_    29     1.52923   113.11274   -98.31450
   35    34 S   O2Z  _O31    30     1.26406   115.40172   -45.59554
   36    34 S   O2Z  _O32    31     1.26363   115.01329   135.37016
   37    33 S   CM   _C5_    37     1.52356   108.46727    52.97061
   38    33 S   CT   _C27   101     1.54722   103.04834   169.36337
   39    38 S   HC   _H59   102     1.09624   112.44966    58.16039
   40    38 S   HC   _H60   103     1.09785   112.02177   -61.82737
   41    38 S   HC   _H61   104     1.09172   112.60986   178.76441
   42    37 S   CMA  _C4_    38     1.35324   125.71685  -124.28148
   43    42 S   OM   _O27    39     1.26368   129.32809   178.78759
   44    37 S   OH   _O35    99     1.39311   114.81368    55.84939
   45    44 S   HO   _H68   100     0.97521   105.88627  -179.65793
   46    42 S   CT   _C11    40     1.52756   119.62968    -1.58918
   47    46 S   HC   _H40    41     1.10068   107.36552    99.33618
   48    46 S   HC   _H41    42     1.10086   110.12860  -145.52429
   49    46 S   CT   _C24    43     1.56312   115.85249   -23.23819
   50    33 S   CT   _C15    44     1.57192   108.78376   -70.15606
   51    50 S   HC   _H47    45     1.09742   106.08549    40.02875
   52    49 S   CT   _C28    95     1.54606   107.54400   -70.33983
   53    52 S   HC   _H62    96     1.09028   112.93294   173.71235
   54    52 S   HC   _H63    97     1.09272   112.05039    53.14773
   55    52 S   HC   _H64    98     1.09007   112.75750   -63.07440
   56    50 S   CT   _C12    46     1.54431   114.60020   -75.75539
   57    56 S   HC   _H42    47     1.09447   111.35324   -70.84865
   58    56 S   HC   _H43    48     1.09661   109.37719    47.27412
   59    56 S   CT   _C18    49     1.52793   111.31664   166.43814
   60    59 S   HC   _H50    50     1.09737   108.14884   179.87967
   61    59 S   CT   _C23    51     1.52443   113.32524    56.55643
   62    59 S   OS   _O33    63     1.45856   106.35888   -66.95835
   63    61 S   CT   _C13    52     1.53074   115.35924    81.86232
   64    63 S   HC   _H44    53     1.08836   115.60534   -89.46419
   65    63 S   HC   _H45    54     1.09626   112.13742    34.24525
   66    49 S   CT   _C17    82     1.60038   108.33186   165.74219
   67    66 S   HC   _H49    83     1.09891   102.91423   -52.18367
   68    63 S   OS   _O34    55     1.44790   105.54000   150.44679
   69    68 S   CT   _C22    56     1.46342   108.37381   -10.65076
   70    61 S   CT   _C16    57     1.53256   106.74242  -171.11473
   71    70 S   HC   _H48    58     1.10461   108.89753   -57.50502
   72    69 S   CT   _C20    78     1.54400   106.66320    98.81385
   73    72 S   HC   _H52    79     1.09769   108.56399    67.24745
   74    69 S   CO4  _C10    88     1.52655   104.32590  -140.03127
   75    74 S   O    _O30    89     1.22593   124.23454    15.10753
   76    70 S   CT   _C14    59     1.51747   112.90330    59.83229
   77    76 S   HC   _H46    60     1.09151   112.66555    66.88966
   78    72 S   CT   _C19    80     1.54671   111.60743   -53.37864
   79    78 S   HC   _H51    81     1.09612   109.33329  -160.15175
   80    72 S   OH   _O37    86     1.42385   111.12750  -175.31910
   81    80 S   HO   _H70    87     0.97263   107.90340  -174.93693
   82    74 S   OS   _O39    90     1.36272   111.09307  -165.74416
   83    76 S   CO4  _C6_    61     1.51979   110.85558   -52.26852
   84    83 S   O    _O28    62     1.22840   122.57299  -150.06940
   85    76 S   OS   _O38    64     1.43827   108.57635  -170.50303
   86    78 S   OH   _O36    84     1.42197   107.73473    84.16412
   87    86 S   HO   _H69    85     0.97225   108.00667    63.46892
   88    82 S   CT   _C29    91     1.43064   115.52414   179.49798
   89    88 S   HC   _H65    92     1.09327   108.08665  -179.71196
   90    88 S   HC   _H66    93     1.09416   110.29776    61.59813
   91    88 S   HC   _H67    94     1.09415   110.28902   -61.04820
   92    85 S   CO4  _C9_    65     1.36169   117.58633  -149.16210
   93    92 S   O    _O29    66     1.21876   126.76798     1.50103
   94    92 S   CM   _C7_    67     1.48318   107.01011  -178.94649
   95    94 S   HC   _H39    68     1.08783   114.93304   -13.97215
   96    94 S   CM   _C8_    69     1.34555   125.99620   167.19357
   97    96 S   CT   _C25    70     1.50751   119.68805   177.37781
   98    97 S   HC   _H53    71     1.09498   110.31811   118.33720
   99    97 S   HC   _H54    72     1.09522   112.47064    -1.84812
  100    97 S   HC   _H55    73     1.09506   110.15851  -121.82379
  101    96 S   CT   _C26    74     1.50315   126.37146    -3.13138
  102   101 S   HC   _H56    75     1.09455   110.13308   104.62782
  103   101 S   HC   _H57    76     1.09126   113.63105   -17.47392
  104   101 S   HC   _H58    77     1.09587   110.11362  -136.20526
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  19   2   1   1  15   9   3   2   1  10   5   3   1  14   5   4
  19  15   6   8   3   2   1  10   5   4  16   6  19   8  12   5
   4  13   5  11  17  14   6  11   6   9   2   7   4   5   3   2
   1   4   3   1   5   1   1   3   2   1   1   6   3  10   3   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    50    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    49    50    51    56    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    49    50    51    56    57    58    59    66    52    44    45    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    47    48    49    50    51    56    44    45    38    39    40    41  
   39    40    41    42    44    49    50    51    56  
   40    41    50  
   41    50  
   50  
   43    46    47    48    49    50    66    52    44    45  
   46    47    48    49    44  
   45    46    50  
    0  
   47    48    49    50    51    56    61    78    66    67    52    53    54    55  
   48    49    50    66    52  
   49    50    66    52  
   50    51    56    57    58    59    61    63    70    72    78    79    66    67    86    52    53    54    55  
   51    56    57    58    59    60    61    62    78    66    67    52    53    54    55  
   56    57    58    59    66    52  
   53    54    55    56    61    66    67    78  
   54    55    66  
   55    66  
   66  
   57    58    59    60    61    63    70    83    62    66  
   58    59    60    61    62  
   59    60    61    62  
   60    61    63    64    65    68    69    70    71    76    83    84    62    78    66    67  
   61    63    70    83    62    66  
   63    64    65    68    69    70    71    76    77    83    62    85    72    78    79    66    67    86    74  
   85    66    63    70    76    77    83    84  
   64    65    68    69    70    71    76    72    78    66    67    74  
   65    68    69    70    66  
   68    69    70    66  
   67    86    87    80    68    69    70    71    72    73    76    78    79  
   86    70    72    78    79  
   69    70    71    76    72    73    78    80    74    75    82  
   70    71    76    77    83    85    72    73    78    79    86    80    81    74    75    82    88  
   71    76    77    83    84    85    92    72    73    78    80    74    75    82  
   76    77    83    85    72    74  
   73    78    79    86    87    80    81    74    75    82    76  
   78    79    86    80    81    74  
   75    82    88    89    90    91    76    78    80  
   82    88  
   77    83    84    85    92    93    94  
   83    84    85    92  
   79    86    87    80    81  
   86    87    80  
   81    86  
    0  
   88    89    90    91  
   84    85    92  
   85  
   92    93    94    95    96  
   87  
    0  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95    96    97   101  
   94    95    96  
   95    96    97    98    99   100   101   102   103   104  
   96    97   101  
   97    98    99   100   101   102   103   104  
   98    99   100   101   102   103   104  
   99   100   101  
  100   101  
  101  
  102   103   104  
  103   104  
  104  
    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  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   83   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   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   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    50   268.000  1.529
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   510.000  1.338
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   268.000  1.529
   49    66   268.000  1.529
   49    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    62   320.000  1.410
   61    63   268.000  1.529
   61    70   268.000  1.529
   61    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   320.000  1.410
   68    69   320.000  1.410
   69    70   268.000  1.529
   69    72   268.000  1.529
   69    74   317.000  1.522
   70    71   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    83   317.000  1.522
   76    85   320.000  1.410
   83    84   570.000  1.229
   83    62   214.000  1.327
   85    92   214.000  1.327
   92    93   570.000  1.229
   92    94   320.000  1.462
   94    95   340.000  1.080
   94    96   549.000  1.340
   96    97   317.000  1.510
   96   101   317.000  1.510
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    80   320.000  1.410
   78    79   340.000  1.090
   78    66   268.000  1.529
   78    86   320.000  1.410
   66    67   340.000  1.090
   86    87   553.000  0.945
   80    81   553.000  0.945
   74    75   570.000  1.229
   74    82   214.000  1.327
   82    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   44    45   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    90.00000  109.34000
   33    50    49    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    56    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    46    65.00000  122.18000
   37    44    45    70.00000  107.45700
   42    46    47    45.00000  110.52000
   42    46    48    45.00000  110.52000
   42    46    49    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    49    50    58.35000  112.70000
   46    49    66    58.35000  112.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    50    51    37.50000  110.70000
   49    50    56    58.35000  112.70000
   49    66    61    58.35000  112.70000
   49    66    78    58.35000  112.70000
   49    66    67    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    33    37    70.00000  112.02700
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    58.35000  112.70000
   56    50    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    62    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    63    58.35000  112.70000
   59    61    70    58.35000  112.70000
   59    61    66    58.35000  112.70000
   59    62    83    83.00000  116.90000
   61    59    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    68    50.00000  109.50000
   61    70    69    58.35000  112.70000
   61    70    71    37.50000  110.70000
   61    70    76    58.35000  112.70000
   61    66    78    58.35000  112.70000
   61    66    67    37.50000  110.70000
   63    68    69    60.00000  109.50000
   65    63    64    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    35.00000  109.50000
   68    69    70    50.00000  109.50000
   68    69    72    50.00000  109.50000
   68    69    74    90.00000  108.74100
   69    70    71    37.50000  110.70000
   69    70    76    58.35000  112.70000
   69    72    73    37.50000  110.70000
   69    72    78    58.35000  112.70000
   69    72    80    50.00000  109.50000
   69    74    75    80.00000  120.40000
   69    74    82    81.00000  111.40000
   70    61    63    58.35000  112.70000
   70    76    77    37.50000  110.70000
   70    76    83    63.00000  111.10000
   70    76    85    50.00000  109.50000
   76    70    71    37.50000  110.70000
   76    83    84    80.00000  120.40000
   76    83    62    81.00000  111.40000
   76    85    92    83.00000  116.90000
   83    76    77    35.00000  109.50000
   62    59    60    35.00000  109.50000
   62    59    61    50.00000  109.50000
   62    83    84    83.00000  123.40000
   85    76    77    35.00000  109.50000
   85    76    83    90.00000  108.74100
   85    92    93    83.00000  123.40000
   85    92    94    90.00000  111.29400
   92    94    95    40.00000  117.72500
   92    94    96    65.00000  118.96000
   94    92    93    80.00000  123.72100
   94    96    97    70.00000  124.00000
   94    96   101    70.00000  124.00000
   96    94    95    35.00000  120.00000
   96    97    98    35.00000  109.50000
   96    97    99    35.00000  109.50000
   96    97   100    35.00000  109.50000
   96   101   102    35.00000  109.50000
   96   101   103    35.00000  109.50000
   96   101   104    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
  101    96    97    65.00000  117.92700
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   72    69    70    58.35000  112.70000
   72    78    79    37.50000  110.70000
   72    78    66    58.35000  112.70000
   72    78    86    50.00000  109.50000
   72    80    81    55.00000  108.50000
   78    72    73    37.50000  110.70000
   78    66    67    37.50000  110.70000
   78    86    87    55.00000  108.50000
   66    49    50    58.35000  112.70000
   66    61    63    58.35000  112.70000
   66    61    70    58.35000  112.70000
   66    78    79    37.50000  110.70000
   86    78    79    35.00000  109.50000
   86    78    66    50.00000  109.50000
   80    72    73    35.00000  109.50000
   80    72    78    50.00000  109.50000
   74    69    70    63.00000  111.10000
   74    69    72    63.00000  111.10000
   74    82    88    83.00000  116.90000
   82    74    75    83.00000  123.40000
   82    88    89    35.00000  109.50000
   82    88    90    35.00000  109.50000
   82    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   52    49    50    58.35000  112.70000
   52    49    66    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   44    37    42    80.00000  121.38400
   38    33    37    70.00000  112.02700
   38    33    50    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
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   66    49   -50    56   0.56750  1.0 1.0
   66    49   -50    56  -0.07550 -1.0 2.0
   66    49   -50    56   0.20000  1.0 3.0
   66    49    52    53   0.15000  1.0 3.0
   66    49    52    54   0.15000  1.0 3.0
   66    49    52    55   0.15000  1.0 3.0
   66    61    63    64   0.15000  1.0 3.0
   66    61    63    65   0.15000  1.0 3.0
   66    61    63    68   0.62750  1.0 1.0
   66    61    63    68  -0.30950 -1.0 2.0
   66    61    63    68   0.27300  1.0 3.0
   66    61   -70    69   0.56750  1.0 1.0
   66    61   -70    69  -0.07550 -1.0 2.0
   66    61   -70    69   0.20000  1.0 3.0
   66    61    70    71   0.15000  1.0 3.0
   66    61    70    76   0.56750  1.0 1.0
   66    61    70    76  -0.07550 -1.0 2.0
   66    61    70    76   0.20000  1.0 3.0
   66    78    86    87  -0.11600  1.0 1.0
   66    78    86    87  -0.09450 -1.0 2.0
   66    78    86    87   0.21250  1.0 3.0
   86    78    66    49   0.86500  1.0 1.0
   86    78    66    49  -0.17500 -1.0 2.0
   86    78    66    49   0.20800  1.0 3.0
   86    78    66    61   0.86500  1.0 1.0
   86    78    66    61  -0.17500 -1.0 2.0
   86    78    66    61   0.20800  1.0 3.0
   86    78    66    67   0.23400  1.0 3.0
   80    72    78    79   0.23400  1.0 3.0
   80    72    78    66   0.86500  1.0 1.0
   80    72    78    66  -0.17500 -1.0 2.0
   80    72    78    66   0.20800  1.0 3.0
   80    72    78    86   3.75450  1.0 1.0
   74    69    70    61  -0.95700  1.0 1.0
   74    69    70    61  -0.18200 -1.0 2.0
   74    69    70    61   0.29450  1.0 3.0
   74    69    70    71  -0.11250  1.0 3.0
   74    69    70    76  -0.95700  1.0 1.0
   74    69    70    76  -0.18200 -1.0 2.0
   74    69    70    76   0.29450  1.0 3.0
   74    69    72    73  -0.11250  1.0 3.0
   74    69    72    78  -0.95700  1.0 1.0
   74    69    72    78  -0.18200 -1.0 2.0
   74    69    72    78   0.29450  1.0 3.0
   74    69    72    80  -0.09450  1.0 1.0
   74    69    72    80  -1.12950 -1.0 2.0
   74    69    72    80   0.54000  1.0 3.0
   74    82    88    89   0.08050  1.0 3.0
   74    82    88    90   0.08050  1.0 3.0
   74    82    88    91   0.08050  1.0 3.0
   75    74    82    88   3.00000 -1.0 2.0
   52    49    50    33   0.56750  1.0 1.0
   52    49    50    33  -0.07550 -1.0 2.0
   52    49    50    33   0.20000  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    56   0.56750  1.0 1.0
   52    49    50    56  -0.07550 -1.0 2.0
   52    49    50    56   0.20000  1.0 3.0
   52    49    66    61   0.56750  1.0 1.0
   52    49    66    61  -0.07550 -1.0 2.0
   52    49    66    61   0.20000  1.0 3.0
   52    49    66    78   0.56750  1.0 1.0
   52    49    66    78  -0.07550 -1.0 2.0
   52    49    66    78   0.20000  1.0 3.0
   52    49    66    67   0.15000  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    46   7.00000 -1.0 2.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.09700  1.0 1.0
   38    33    37    44   0.15600 -1.0 2.0
   38    33    37    44  -0.50800  1.0 3.0
   38    33    50    49   0.56750  1.0 1.0
   38    33    50    49  -0.07550 -1.0 2.0
   38    33    50    49   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    56   0.56750  1.0 1.0
   38    33    50    56  -0.07550 -1.0 2.0
   38    33    50    56   0.20000  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
   33    44    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   76    62    83    84  10.50000 -1.0 2.0
   85    94    92    93  10.50000 -1.0 2.0
   92    95    94    96  15.00000 -1.0 2.0
   97   101    96    94  15.00000 -1.0 2.0
   69    82    74    75  10.50000 -1.0 2.0
END
