* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    218    360     668
    1     0 S   NP   _N1_     1    28.86257    96.50012   -18.93970
    2     1 S   H    _HN1     2     1.02785    71.13054   -75.74202
    3     1 S   H    _H1_     3     1.02964    91.71850    32.99403
    4     1 S   H    _H2_     4     1.02841    47.16253   144.92560
    5     1 S   CT   _CA1     5     1.50070   153.97090  -177.85087
    6     5 S   HC   _HA1     6     1.09557   105.40091    31.08136
    7     5 S   CO3  _C1_     7     1.53877   112.10915   -89.53063
    8     7 S   O2Z  _O11     8     1.26329   114.92384   -49.66470
    9     7 S   O2Z  _O12     9     1.26208   115.02980   129.54114
   10     5 S   CT   _CB1    10     1.53098   107.46217   149.26758
   11    10 S   HC   HB11    11     1.09814   109.85264   -48.99014
   12    10 S   HC   HB12    12     1.09830   110.22841    67.66844
   13    10 S   CT   _CG1    13     1.52971   112.39845  -169.97212
   14    13 S   HC   HG11    14     1.09591   110.41650   -53.98568
   15    13 S   HC   HG12    15     1.09610   110.16783    65.14291
   16    13 S   C    _CD1    16     1.51737   112.09473  -174.20847
   17    16 S   O    _OE1    17     1.22707   123.27111   -10.61828
   18    16 S   N    _N2_    18     1.38526   111.52125   169.17440
   19    18 S   H    _HN2    19     1.01583   119.02576     3.73790
   20    18 S   CT1  _CA2    20     1.46228   123.49885  -173.43478
   21    20 S   HC   _HA2    21     1.09722   109.51534   -13.87342
   22    20 S   C    _C2_    22     1.53331   108.26306  -129.85705
   23    22 S   O    _O2_    23     1.22992   122.35159  -144.82930
   24    20 S   CT   _CB2    32     1.53698   110.75478   108.11129
   25    24 S   HC   HB21    33     1.09242   108.74102    55.34511
   26    24 S   HC   HB22    34     1.09503   110.22225   173.92323
   27    22 S   N    _N3_    24     1.38551   113.27993    42.53365
   28    27 S   H    _HN3    25     1.01527   118.89614    -0.50590
   29    24 S   S    _SG2    35     1.83247   111.03753   -66.88908
   30    27 S   CT   _CA3    26     1.45436   123.34609   175.08789
   31    30 S   HC   HA31    27     1.09530   109.12079    26.61541
   32    30 S   HC   HA32    28     1.09492   107.15049   143.60238
   33    29 S   CT   _C14    36     1.90045   104.67063   159.17179
   34    30 S   CO3  _C3_    29     1.52933   113.20009   -96.77801
   35    34 S   O2Z  _O31    30     1.26395   115.44084   -43.66580
   36    34 S   O2Z  _O32    31     1.26362   114.95884   137.29177
   37    33 S   CM   _C15    37     1.52223   107.67304    35.37977
   38    37 S   HC   _H20    38     1.09078   115.25364   -67.07439
   39    33 S   CT   _C13    54     1.59313   106.61234   155.25731
   40    39 S   HC   _H5_    55     1.09837   108.88962    26.24031
   41    37 S   CMA  _C16    39     1.34992   129.01868   118.88164
   42    41 S   OM   _O35    40     1.26264   127.29807   174.04754
   43    39 S   CT   _C12    56     1.55716   112.03990   140.19682
   44    43 S   HC   _H18    57     1.09495   110.17322  -171.95592
   45    43 S   HC   _H19    58     1.09629   109.40489    72.12571
   46    41 S   CT   _C17    41     1.54504   119.37977    -3.55534
   47    46 S   HC   _H6_    42     1.10204   105.61300    91.83103
   48    43 S   CT   _C11    59     1.54343   117.17766   -51.99531
   49    48 S   HC   _H16    60     1.09409   106.09808   148.28753
   50    48 S   HC   _H17    61     1.09755   108.06199   -98.94081
   51    46 S   CT   _C22    43     1.55458   115.21358  -152.25932
   52    51 S   HC   _H23    44     1.09515   112.13844    60.48503
   53    51 S   HC   _H24    45     1.09751   110.11922   -58.88628
   54    48 S   CT   _C10    62     1.54067   114.87524    24.29703
   55    51 S   CO4  _C21    46     1.51215   112.56388  -176.90471
   56    55 S   O    _O33    47     1.23303   120.96487   139.33737
   57    54 S   CT   _C6_    63     1.59753   118.56072   148.34501
   58    57 S   HC   _H4_    64     1.09831   108.23870   116.62555
   59    54 S   CT   _C24   101     1.55281   107.45574   -93.14648
   60    59 S   HC   _H29   102     1.09426   112.28541   172.85548
   61    59 S   HC   _H30   103     1.09077   113.37558    49.74277
   62    59 S   HC   _H31   104     1.09765   110.03807   -68.24688
   63    55 S   CT   _C20    48     1.51282   118.25837   -46.67672
   64    63 S   HC   _H7_    49     1.09674   108.14941   159.10951
   65    57 S   CT   _C7_    65     1.55161   104.63788  -132.23258
   66    65 S   HC   _H12    66     1.09527   111.70949  -135.84142
   67    65 S   HC   _H13    67     1.09580   111.39704   103.97502
   68    57 S   CT   _C5_    74     1.55645   119.18363    -4.29715
   69    68 S   HC   _H3_    75     1.09757   108.15208   -50.62782
   70    63 S   CT   _C19    50     1.52790   111.49700    40.49150
   71    70 S   HC   _H21    51     1.09522   104.61034    75.13693
   72    70 S   HC   _H22    52     1.09725   109.60376  -169.77717
   73    65 S   CT   _C8_    68     1.52685   106.27861   -14.30573
   74    73 S   HC   _H14    69     1.09455   109.74617   157.72178
   75    73 S   HC   _H15    70     1.09222   109.23782   -83.04222
   76    68 S   CT   _C4_    76     1.54293   112.21255  -166.04930
   77    76 S   HC   _H9_    77     1.09504   111.48664   -51.45398
   78    76 S   HC   _H10    78     1.09406   111.50978    69.04567
   79    76 S   HC   _H11    79     1.09523   111.26375  -172.43470
   80    68 S   CT   _C25    80     1.55733   112.88746    69.20284
   81    80 S   HC   _H8_    81     1.09079   110.68382   -47.29138
   82    63 S   OH   _O34   109     1.41269   109.92815   -84.00714
   83    82 S   HO   _H25   110     0.97291   107.49794   -62.42635
   84    46 S   CT   _C18    53     1.56596   112.39711   -24.83771
   85    33 S   CT   _C9_    71     1.58382   111.36403   -84.35588
   86    80 S   CT   _C26    82     1.54027   115.17587    75.71393
   87    86 S   HC   _H33    83     1.09466   109.37485    67.29132
   88    86 S   HC   _H34    84     1.09331   109.92886   -51.29463
   89    80 S   OH   _O38    99     1.43271   108.43299  -163.58998
   90    89 S   HO   _H44   100     0.97238   107.39098    59.89198
   91    85 S   OH   _O36    72     1.46009   107.40074   162.79322
   92    91 S   HO   _H32    73     0.97228   108.51808   -70.98892
   93    86 S   CT   _C27    85     1.53710   111.53071  -172.65963
   94    93 S   HC   _H35    86     1.09889   108.84950    61.47006
   95    93 S   HC   _H36    87     1.09830   109.78268   -52.73799
   96    84 S   CT   _C23   105     1.55552   110.94120   -69.08718
   97    96 S   HC   _H26   106     1.09171   112.80156    54.22810
   98    96 S   HC   _H27   107     1.09101   113.25260   -64.17327
   99    96 S   HC   _H28   108     1.09575   110.74947   175.88734
  100    93 S   CT   _C28    88     1.54210   115.68802  -175.68185
  101   100 S   CT   _C29    89     1.53064   112.14452    64.93818
  102   101 S   HC   _H37    90     1.09586   110.77588    54.30238
  103   101 S   HC   _H38    91     1.09631   110.80370   172.02186
  104   101 S   HC   _H39    92     1.09396   112.21672   -67.26197
  105   100 S   CT   _C30    93     1.52897   112.45279   -60.32078
  106   105 S   HC   _H40    94     1.09569   110.74215   -54.16371
  107   105 S   HC   _H41    95     1.09624   110.86763  -171.91196
  108   105 S   HC   _H42    96     1.09394   112.00227    67.48532
  109   100 S   OH   _O37    97     1.43483   106.20957  -177.85233
  110   109 S   HO   _H43    98     0.97240   108.04117  -179.88636
  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
  24   2   1   1  14   5  24   9  11   4  13   6   5  15   7  15
   5   4  10   5   4  19   9   4  23  10   8   3   2   1   8   6
  11   6   5  15   8   9   4   3   5   3   2   7   3   2   1  10
   6   2   1   5   2  11   6   5   2   1   1   1  13   5   4   3
   2   1   1  10   9   4   3   2   5   3   2   1   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    39    85    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    84    39    40    43    54    73    85    91  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    70    84    39    40    43    44    45    48    54    57    65    73    74    75    85    91    92    59    96  
   35    36  
   36  
    0  
   38    41    42    46    47    51    84    39    40    43    54    73    85    91  
   41    42    46    39    85  
   40    43    44    45    48    49    50    54    73    85    91    96    97    98    99    41    46    47    51    63    70    71    72    84  
   43    44    45    48    85    96    46    70    84  
   42    46    47    51    52    53    55    70    84    85    96  
   46    47    51    84  
   44    45    48    49    50    54    57    85    59    96    46    70    84  
   45    48    49    50    54    84  
   48    49    50    54    84  
   47    51    52    53    55    56    63    70    71    72    84    96    97    98    99  
   51    52    53    55    70    84    96  
   49    50    54    57    58    65    73    85    91    68    59    60    61    62    84  
   50    54    57    85    59  
   54    57    85    59  
   52    53    55    56    63    64    70    84    96    82  
   53    55    56    63    84  
   55    56    63    84  
   57    58    65    66    67    73    74    75    85    91    92    68    69    76    80    59    60    61    62  
   56    63    64    70    71    72    84    82    83  
   63    64    70    82  
   58    65    66    67    73    74    75    85    91    68    69    76    77    78    79    80    81    86    89    59    60    61    62  
   65    66    67    73    85    68    69    76    80    59  
   60    61    62    65    68    73    85    91  
   61    62    85  
   62    85  
   85  
   64    70    71    72    84    96    82    83  
   70    71    72    84    82    83  
   66    67    73    74    75    85    91    68    69    76    80  
   67    73    74    75    85    68  
   73    74    75    85    68  
   69    76    77    78    79    80    81    86    87    88    93    89    90    73    85  
   76    77    78    79    80    81    86    89  
   71    72    84    96    97    98    99    82    83  
   72    84    96    82  
   84    96    82  
   74    75    85    91    92  
   75    85    91  
   85    91  
   77    78    79    80    81    86    89  
   78    79    80  
   79    80  
   80  
   81    86    87    88    93    94    95   100    89    90  
   86    87    88    93    89    90  
   83    84  
    0  
   85    96    97    98    99  
   91    92  
   87    88    93    94    95   100   101   105   109    89    90  
   88    93    94    95   100    89  
   93    94    95   100    89  
   90    93  
    0  
   92  
    0  
   94    95   100   101   102   103   104   105   106   107   108   109   110  
   95   100   101   105   109  
  100   101   105   109  
   97    98    99  
   98    99  
   99  
    0  
  101   102   103   104   105   106   107   108   109   110  
  102   103   104   105   106   107   108   109   110  
  103   104   105   109  
  104   105   109  
  105   109  
  106   107   108   109   110  
  107   108   109  
  108   109  
  109  
  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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.120000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  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
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  110   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    85   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    84   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   317.000  1.522
   55    56   570.000  1.229
   55    63   317.000  1.522
   63    64   340.000  1.090
   63    70   268.000  1.529
   63    82   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    84   268.000  1.529
   84    39   268.000  1.529
   84    96   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    57   268.000  1.529
   54    85   268.000  1.529
   54    59   268.000  1.529
   57    58   340.000  1.090
   57    65   268.000  1.529
   57    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    85   268.000  1.529
   85    91   320.000  1.410
   91    92   553.000  0.945
   68    69   340.000  1.090
   68    76   268.000  1.529
   68    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    86   268.000  1.529
   80    89   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   100   268.000  1.529
  100   101   268.000  1.529
  100   105   268.000  1.529
  100   109   320.000  1.410
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   553.000  0.945
   89    90   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   82    83   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    85    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    39    84    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    85    54    58.35000  112.70000
   33    85    73    58.35000  112.70000
   33    85    91    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    46    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    46    47    45.00000  110.52000
   41    46    51    70.00000  112.02700
   41    46    84    70.00000  112.02700
   46    41    42    85.00000  112.85300
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    55    63.00000  111.10000
   46    84    70    58.35000  112.70000
   46    84    39    58.35000  112.70000
   46    84    96    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    55    56    80.00000  120.40000
   51    55    63    70.00000  116.00000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    63    64    35.00000  109.50000
   55    63    70    63.00000  111.10000
   55    63    82    90.00000  109.61100
   63    55    56    80.00000  120.40000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    84    58.35000  112.70000
   63    82    83    55.00000  108.50000
   70    63    64    37.50000  110.70000
   70    84    39    58.35000  112.70000
   70    84    96    58.35000  112.70000
   72    70    71    33.00000  107.80000
   84    46    47    37.50000  110.70000
   84    46    51    58.35000  112.70000
   84    70    71    37.50000  110.70000
   84    70    72    37.50000  110.70000
   84    39    40    37.50000  110.70000
   84    39    43    58.35000  112.70000
   84    96    97    37.50000  110.70000
   84    96    98    37.50000  110.70000
   84    96    99    37.50000  110.70000
   39    33    37    70.00000  112.02700
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    54    57    58.35000  112.70000
   48    54    85    58.35000  112.70000
   48    54    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    65    58.35000  112.70000
   54    57    68    58.35000  112.70000
   54    85    73    58.35000  112.70000
   54    85    91    50.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    73    58.35000  112.70000
   57    68    69    37.50000  110.70000
   57    68    76    58.35000  112.70000
   57    68    80    58.35000  112.70000
   65    57    58    37.50000  110.70000
   65    73    74    37.50000  110.70000
   65    73    75    37.50000  110.70000
   65    73    85    58.35000  112.70000
   67    65    66    33.00000  107.80000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   73    85    91    50.00000  109.50000
   75    73    74    33.00000  107.80000
   85    33    37    70.00000  112.02700
   85    33    39    58.35000  112.70000
   85    54    57    58.35000  112.70000
   85    73    74    37.50000  110.70000
   85    73    75    37.50000  110.70000
   85    91    92    55.00000  108.50000
   68    57    58    37.50000  110.70000
   68    57    65    58.35000  112.70000
   68    76    77    37.50000  110.70000
   68    76    78    37.50000  110.70000
   68    76    79    37.50000  110.70000
   68    80    81    37.50000  110.70000
   68    80    86    58.35000  112.70000
   68    80    89    50.00000  109.50000
   76    68    69    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    68    69    37.50000  110.70000
   80    68    76    58.35000  112.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    93    58.35000  112.70000
   80    89    90    55.00000  108.50000
   86    80    81    37.50000  110.70000
   86    93    94    37.50000  110.70000
   86    93    95    37.50000  110.70000
   86    93   100    58.35000  112.70000
   88    86    87    33.00000  107.80000
   93    86    87    37.50000  110.70000
   93    86    88    37.50000  110.70000
   93   100   101    58.35000  112.70000
   93   100   105    58.35000  112.70000
   93   100   109    50.00000  109.50000
   95    93    94    33.00000  107.80000
  100    93    94    37.50000  110.70000
  100    93    95    37.50000  110.70000
  100   101   102    37.50000  110.70000
  100   101   103    37.50000  110.70000
  100   101   104    37.50000  110.70000
  100   105   106    37.50000  110.70000
  100   105   107    37.50000  110.70000
  100   105   108    37.50000  110.70000
  100   109   110    55.00000  108.50000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
  105   100   101    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   100   101    50.00000  109.50000
  109   100   105    50.00000  109.50000
   89    80    81    35.00000  109.50000
   89    80    86    50.00000  109.50000
   59    54    57    58.35000  112.70000
   59    54    85    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   96    84    39    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   82    63    64    35.00000  109.50000
   82    63    70    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   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
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   65    73   -85    54   0.56750  1.0 1.0
   65    73   -85    54  -0.07550 -1.0 2.0
   65    73   -85    54   0.20000  1.0 3.0
   65    73    85    91   0.86500  1.0 1.0
   65    73    85    91  -0.17500 -1.0 2.0
   65    73    85    91   0.20800  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    75   0.15000  1.0 3.0
   66    65    73    85   0.15000  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    75   0.15000  1.0 3.0
   67    65    73    85   0.15000  1.0 3.0
   73    85    91    92  -0.11600  1.0 1.0
   73    85    91    92  -0.09450 -1.0 2.0
   73    85    91    92   0.21250  1.0 3.0
   74    73    85    33   0.15000  1.0 3.0
   74    73    85    54   0.15000  1.0 3.0
   74    73    85    91   0.23400  1.0 3.0
   75    73    85    33   0.15000  1.0 3.0
   75    73    85    54   0.15000  1.0 3.0
   75    73    85    91   0.23400  1.0 3.0
   85    33    37    38   0.00000  1.0 1.0
   85    33    37    41   0.09850  1.0 1.0
   85    33    37    41   0.15250 -1.0 2.0
   85    33    37    41  -0.50650  1.0 3.0
   85    33    39    84   0.56750  1.0 1.0
   85    33    39    84  -0.07550 -1.0 2.0
   85    33    39    84   0.20000  1.0 3.0
   85    33    39    40   0.15000  1.0 3.0
   85    33   -39    43   0.56750  1.0 1.0
   85    33   -39    43  -0.07550 -1.0 2.0
   85    33   -39    43   0.20000  1.0 3.0
   85    54    57    58   0.15000  1.0 3.0
   85    54   -57    65   0.56750  1.0 1.0
   85    54   -57    65  -0.07550 -1.0 2.0
   85    54   -57    65   0.20000  1.0 3.0
   85    54    57    68   0.56750  1.0 1.0
   85    54    57    68  -0.07550 -1.0 2.0
   85    54    57    68   0.20000  1.0 3.0
   85    54    59    60   0.15000  1.0 3.0
   85    54    59    61   0.15000  1.0 3.0
   85    54    59    62   0.15000  1.0 3.0
   68    57    65    66   0.15000  1.0 3.0
   68    57    65    67   0.15000  1.0 3.0
   68    57    65    73   0.56750  1.0 1.0
   68    57    65    73  -0.07550 -1.0 2.0
   68    57    65    73   0.20000  1.0 3.0
   68    80    86    87   0.15000  1.0 3.0
   68    80    86    88   0.15000  1.0 3.0
   68    80    86    93   0.56750  1.0 1.0
   68    80    86    93  -0.07550 -1.0 2.0
   68    80    86    93   0.20000  1.0 3.0
   68    80    89    90  -0.11600  1.0 1.0
   68    80    89    90  -0.09450 -1.0 2.0
   68    80    89    90   0.21250  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    78   0.15000  1.0 3.0
   69    68    76    79   0.15000  1.0 3.0
   69    68    80    81   0.15000  1.0 3.0
   69    68    80    86   0.15000  1.0 3.0
   69    68    80    89   0.23400  1.0 3.0
   76    68    80    81   0.15000  1.0 3.0
   76    68    80    86   0.56750  1.0 1.0
   76    68    80    86  -0.07550 -1.0 2.0
   76    68    80    86   0.20000  1.0 3.0
   76    68    80    89   0.86500  1.0 1.0
   76    68    80    89  -0.17500 -1.0 2.0
   76    68    80    89   0.20800  1.0 3.0
   80    68    76    77   0.15000  1.0 3.0
   80    68    76    78   0.15000  1.0 3.0
   80    68    76    79   0.15000  1.0 3.0
   80    86    93    94   0.15000  1.0 3.0
   80    86    93    95   0.15000  1.0 3.0
   80    86    93   100   0.56750  1.0 1.0
   80    86    93   100  -0.07550 -1.0 2.0
   80    86    93   100   0.20000  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    93   0.15000  1.0 3.0
   81    80    89    90   0.19450  1.0 3.0
   86    80    89    90  -0.11600  1.0 1.0
   86    80    89    90  -0.09450 -1.0 2.0
   86    80    89    90   0.21250  1.0 3.0
   86    93   100   101   0.56750  1.0 1.0
   86    93   100   101  -0.07550 -1.0 2.0
   86    93   100   101   0.20000  1.0 3.0
   86    93   100   105   0.56750  1.0 1.0
   86    93   100   105  -0.07550 -1.0 2.0
   86    93   100   105   0.20000  1.0 3.0
   86    93   100   109   0.86500  1.0 1.0
   86    93   100   109  -0.17500 -1.0 2.0
   86    93   100   109   0.20800  1.0 3.0
   87    86    93    94   0.15000  1.0 3.0
   87    86    93    95   0.15000  1.0 3.0
   87    86    93   100   0.15000  1.0 3.0
   88    86    93    94   0.15000  1.0 3.0
   88    86    93    95   0.15000  1.0 3.0
   88    86    93   100   0.15000  1.0 3.0
   93   100   101   102   0.15000  1.0 3.0
   93   100   101   103   0.15000  1.0 3.0
   93   100   101   104   0.15000  1.0 3.0
   93   100   105   106   0.15000  1.0 3.0
   93   100   105   107   0.15000  1.0 3.0
   93   100   105   108   0.15000  1.0 3.0
   93   100   109   110  -0.11600  1.0 1.0
   93   100   109   110  -0.09450 -1.0 2.0
   93   100   109   110   0.21250  1.0 3.0
   94    93   100   101   0.15000  1.0 3.0
   94    93   100   105   0.15000  1.0 3.0
   94    93   100   109   0.23400  1.0 3.0
   95    93   100   101   0.15000  1.0 3.0
   95    93   100   105   0.15000  1.0 3.0
   95    93   100   109   0.23400  1.0 3.0
  101   100   105   106   0.15000  1.0 3.0
  101   100   105   107   0.15000  1.0 3.0
  101   100   105   108   0.15000  1.0 3.0
  101   100   109   110  -0.11600  1.0 1.0
  101   100   109   110  -0.09450 -1.0 2.0
  101   100   109   110   0.21250  1.0 3.0
  105   100   101   102   0.15000  1.0 3.0
  105   100   101   103   0.15000  1.0 3.0
  105   100   101   104   0.15000  1.0 3.0
  105   100   109   110  -0.11600  1.0 1.0
  105   100   109   110  -0.09450 -1.0 2.0
  105   100   109   110   0.21250  1.0 3.0
  109   100   101   102   0.23400  1.0 3.0
  109   100   101   103   0.23400  1.0 3.0
  109   100   101   104   0.23400  1.0 3.0
  109   100   105   106   0.23400  1.0 3.0
  109   100   105   107   0.23400  1.0 3.0
  109   100   105   108   0.23400  1.0 3.0
   89    80    86    87   0.23400  1.0 3.0
   89    80    86    88   0.23400  1.0 3.0
   89    80    86    93   0.86500  1.0 1.0
   89    80    86    93  -0.17500 -1.0 2.0
   89    80    86    93   0.20800  1.0 3.0
   59    54    57    58   0.15000  1.0 3.0
   59    54    57    65   0.56750  1.0 1.0
   59    54    57    65  -0.07550 -1.0 2.0
   59    54    57    65   0.20000  1.0 3.0
   59    54    57    68   0.56750  1.0 1.0
   59    54    57    68  -0.07550 -1.0 2.0
   59    54    57    68   0.20000  1.0 3.0
   59    54    85    33   0.56750  1.0 1.0
   59    54    85    33  -0.07550 -1.0 2.0
   59    54    85    33   0.20000  1.0 3.0
   59    54    85    73   0.56750  1.0 1.0
   59    54    85    73  -0.07550 -1.0 2.0
   59    54    85    73   0.20000  1.0 3.0
   59    54    85    91   0.86500  1.0 1.0
   59    54    85    91  -0.17500 -1.0 2.0
   59    54    85    91   0.20800  1.0 3.0
   96    84    39    33   0.56750  1.0 1.0
   96    84    39    33  -0.07550 -1.0 2.0
   96    84    39    33   0.20000  1.0 3.0
   96    84    39    40   0.15000  1.0 3.0
   96    84    39    43   0.56750  1.0 1.0
   96    84    39    43  -0.07550 -1.0 2.0
   96    84    39    43   0.20000  1.0 3.0
   82    63    70    71   0.23400  1.0 3.0
   82    63    70    72   0.23400  1.0 3.0
   82    63    70    84   0.86500  1.0 1.0
   82    63    70    84  -0.17500 -1.0 2.0
   82    63    70    84   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
   33    38    37    41   1.10000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
   51    63    55    56  10.50000 -1.0 2.0
END
