* LIGAND DATABASE FILE (OPLS2005)
*
001     104   108    210    349     642
    1     0 S   NP   _N1_     1    28.57215    96.88786   -22.02893
    2     1 S   H    _HN1     2     1.02949    72.16122    18.04458
    3     1 S   H    _H1_     3     1.02828    43.55109   159.88368
    4     1 S   H    _H2_     4     1.02787    95.26391   -89.57840
    5     1 S   CT   _CA1     5     1.50113   148.83702   118.15829
    6     5 S   HC   _HA1     6     1.09572   105.19243    88.61972
    7     5 S   CO3  _C1_     7     1.53787   112.46793   -31.61734
    8     7 S   O2Z  _O11     8     1.26373   115.00645   -42.45271
    9     7 S   O2Z  _O12     9     1.26240   114.94896   136.67229
   10     5 S   CT   _CB1    10     1.53077   107.41921  -153.39206
   11    10 S   HC   HB11    11     1.09834   109.37482   -49.63070
   12    10 S   HC   HB12    12     1.09812   110.44878    66.98042
   13    10 S   CT   _CG1    13     1.52990   112.60343  -170.60058
   14    13 S   HC   HG11    14     1.09580   110.64226   -65.76993
   15    13 S   HC   HG12    15     1.09670   109.77568    53.46338
   16    13 S   C    _CD1    16     1.51799   112.20710   173.92765
   17    16 S   O    _OE1    17     1.22731   123.27734     7.53622
   18    16 S   N    _N2_    18     1.38652   111.68045  -172.57030
   19    18 S   H    _HN2    19     1.01576   118.93480     1.73968
   20    18 S   CT1  _CA2    20     1.46215   123.40048   177.44120
   21    20 S   HC   _HA2    21     1.09741   109.37952     3.36918
   22    20 S   C    _C2_    22     1.53585   108.52837  -112.08746
   23    22 S   O    _O2_    23     1.23059   122.30391  -147.33910
   24    20 S   CT   _CB2    32     1.53535   111.66671   125.40576
   25    24 S   HC   HB21    33     1.09510   109.43143    55.95620
   26    24 S   HC   HB22    34     1.09263   109.54460   174.81197
   27    22 S   N    _N3_    24     1.38334   113.70311    40.06076
   28    27 S   H    _HN3    25     1.01578   119.59530    -3.19359
   29    24 S   S    _SG2    35     1.82994   111.03805   -64.31884
   30    27 S   CT   _CA3    26     1.45284   123.22092   177.18207
   31    30 S   HC   HA31    27     1.09549   107.49950   -64.88181
   32    30 S   HC   HA32    28     1.09556   108.00019    51.56092
   33    29 S   CT   _C22    36     1.89111   103.34094  -170.33950
   34    30 S   CO3  _C3_    29     1.52962   114.07502   173.56465
   35    34 S   O2Z  _O31    30     1.26377   116.07383    -0.76361
   36    34 S   O2Z  _O32    31     1.26428   114.41241   179.30170
   37    33 S   CT   _C27    37     1.55063   107.06232    72.06714
   38    37 S   HC   _H34    38     1.09476   111.92397   -53.60499
   39    37 S   HC   _H35    39     1.09480   111.90456  -171.61086
   40    33 S   CT   _C21    94     1.54839   108.46678   -46.49047
   41    40 S   HC   _H28    95     1.09646   110.62569    65.94563
   42    40 S   HC   _H29    96     1.09735   110.37937   -51.55988
   43    37 S   CO4  _C26    40     1.51282   112.57095    68.93244
   44    43 S   O    _O40    41     1.23033   121.53800  -134.02829
   45    43 S   CT   _C25    42     1.50709   116.65113    51.39142
   46    45 S   HC   _H32    43     1.09407   108.60474    72.55808
   47    45 S   HC   _H33    44     1.09554   108.77834  -170.62455
   48    45 S   CT   _C24    45     1.52151   110.44565   -50.44948
   49    48 S   HC   _H30    46     1.09576   109.13146   177.36055
   50    48 S   HC   _H31    47     1.09783   108.00821   -69.60651
   51    33 S   CT   _C23    48     1.60184   110.34618  -167.71743
   52    51 S   CT   _C8_    49     1.58846   109.21586   173.17140
   53    52 S   HC   _H3_    50     1.09794   107.38801    59.43932
   54    51 S   CT   _C28   101     1.55777   111.77589    52.01945
   55    54 S   HC   _H36   102     1.09275   112.66437    56.91816
   56    54 S   HC   _H37   103     1.09469   112.18357   -64.11191
   57    54 S   HC   _H38   104     1.09388   111.69696   178.03956
   58    52 S   CT   _C7_    51     1.55679   114.78348   174.71543
   59    58 S   HC   _H17    52     1.09306   110.81689    54.97641
   60    58 S   HC   _H18    53     1.09530   109.85188   -62.21836
   61    58 S   CT   _C6_    54     1.53928   113.78700   177.70390
   62    61 S   HC   _H15    55     1.09783   108.47172    68.99435
   63    61 S   HC   _H16    56     1.09669   109.66272  -175.33868
   64    61 S   CT   _C5_    57     1.53302   111.48700   -52.41256
   65    64 S   CT   _C10    58     1.53882   107.89447    57.12041
   66    65 S   HC   _H5_    59     1.10319   108.33436    55.22448
   67    64 S   CT   _C4_    97     1.55037   109.54413   -68.31345
   68    67 S   HC   _H12    98     1.09453   112.46285  -176.75659
   69    67 S   HC   _H13    99     1.09316   112.77602    62.39748
   70    67 S   HC   _H14   100     1.09628   110.60879   -57.14200
   71    65 S   CT   _C11    60     1.52597   103.41563   167.35755
   72    71 S   HC   _H19    61     1.09479   111.98357  -154.54736
   73    71 S   HC   _H20    62     1.09571   111.53637    84.77513
   74    52 S   CT   _C9_    89     1.55968   111.78022   -56.28840
   75    74 S   HC   _H4_    90     1.09492   109.74462   -61.96927
   76    71 S   CT   _C12    63     1.53934   104.09836   -34.23246
   77    76 S   HC   _H21    64     1.09573   110.49673   129.19509
   78    76 S   HC   _H22    65     1.09575   110.60031  -112.40371
   79    74 S   CT   _C20    91     1.53031   110.86981    56.63211
   80    79 S   HC   _H26    92     1.09696   109.73585  -174.70232
   81    79 S   HC   _H27    93     1.09658   110.11699    69.05431
   82    64 S   CT   _C13    66     1.54577   114.45975   166.97502
   83    82 S   HC   _H6_    67     1.09888   109.33653   -40.51586
   84    82 S   OS   _O33    68     1.42100   111.42255    80.91623
   85    84 S   CO   _C14    69     1.43395   113.95619  -165.63834
   86    85 S   HC   _H7_    70     1.09824   108.52160    49.64821
   87    85 S   CT   _C15    71     1.53321   107.21873   168.53142
   88    87 S   HC   _H8_    72     1.09684   109.98177    53.29832
   89    87 S   CT   _C16    73     1.53067   111.19765   175.27752
   90    89 S   HC   _H9_    74     1.09689   110.23276    74.19504
   91    87 S   OH   _O39    87     1.43011   109.97554   -63.41815
   92    91 S   HO   _H25    88     0.97225   108.06677   -61.39348
   93    89 S   CT   _C17    75     1.53189   111.76830   -48.54739
   94    93 S   HC   _H10    76     1.09730   109.18457   -73.90977
   95    89 S   OH   _O38    85     1.43096   109.35421  -170.17097
   96    95 S   HO   _H24    86     0.97230   107.98478    62.51883
   97    93 S   CT   _C18    77     1.52906   110.67378    48.76116
   98    97 S   HC   _H11    78     1.09895   110.33481    65.61577
   99    93 S   OH   _O37    83     1.42796   108.07765   169.26360
  100    99 S   HO   _H23    84     0.97496   106.64490   176.08428
  101    85 S   OS   _O34    79     1.42562   111.33520   -71.90246
  102    97 S   CO3  _C19    80     1.54280   114.63501  -174.69969
  103   102 S   O2Z  _O36    81     1.26329   116.22465    -1.73201
  104   102 S   O2Z  _O35    82     1.26553   114.69639   179.54286
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  24   2   1   1  15   6   5  13   6   5   8   4   8   5   4  11
   4   3  14  20   9   5   2   1   1  12   6   5  15   5   4  19
  19   9   9   3   2   1  11   6   5   6   3   6   4   3   2   1
   1   6   2   8  13   6  12   7  13   7   4   1  11   7   3   1
   7   5   3   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    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    79    40    41    42    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    58    74    79    80    81    40    41    42    54    55    56    57  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    79    40    41    42    54  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    54    43    48    51    52    65    74    75    79    80    81  
   42    51    74    79    80    81  
   51    74    79    80    81  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    58    74    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    60    61    65    74    75    79    54    55    56    57  
   53    58    59    60    61    62    63    64    65    66    71    74    75    79    80    81    54    55    56    57  
   58    59    60    61    65    74    75    79    54  
   55    56    57    58    74  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    82    74    75    79    67  
   60    61    62    63    64    74  
   61    62    63    64    74  
   62    63    64    65    66    71    76    82    83    84    74    67    68    69    70  
   63    64    65    82    67  
   64    65    82    67  
   65    66    71    72    73    76    77    78    82    83    84    85    74    75    79    67    68    69    70  
   66    71    72    73    76    77    78    82    83    84    74    75    79    80    81    67    68    69    70  
   71    72    73    76    82    74    75    79    67  
   68    69    70    71    74    76    82    83    84  
   69    70    82  
   70    82  
   82  
   72    73    76    77    78    82    83    84    74    75    79  
   73    76    77    78    82    74  
   76    77    78    82    74  
   75    79    80    81    76    82  
   79    80    81  
   77    78    82    83    84    85  
   78    82    83    84  
   82    83    84  
   80    81  
   81  
    0  
   83    84    85    86    87   101  
   84    85  
   85    86    87    88    89    97   101    91  
   86    87    88    89    90    93    97    98   101   102    95    91    92  
   87    88    89    97   101    91  
   88    89    90    93    94    97   101    99    95    96    91    92  
   89    90    93   101    95    91    92  
   90    93    94    97    98   101   102    99   100    95    96    91    92  
   93    94    97    99    95    96    91  
   92    93    95   101  
    0  
   94    97    98   101   102   103   104    99   100    95    96  
   97    98   101   102    99   100    95  
   96    97    99  
    0  
   98   101   102   103   104    99   100  
  101   102   103   104    99  
  100   101   102  
    0  
  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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  101   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  102   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  104   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   268.000  1.529
   51    54   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    74   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   268.000  1.529
   64    82   268.000  1.529
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   320.000  1.410
   84    85   320.000  1.380
   85    86   340.000  1.090
   85    87   250.000  1.527
   85   101   320.000  1.380
   87    88   340.000  1.090
   87    89   268.000  1.529
   87    91   320.000  1.410
   89    90   340.000  1.090
   89    93   268.000  1.529
   89    95   320.000  1.410
   93    94   340.000  1.090
   93    97   268.000  1.529
   93    99   320.000  1.410
   97    98   340.000  1.090
   97   101   320.000  1.410
   97   102   317.000  1.522
  102   103   656.000  1.250
  102   104   656.000  1.250
   99   100   553.000  0.945
   95    96   553.000  0.945
   91    92   553.000  0.945
   74    75   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    40    79    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    58.35000  112.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    58    58.35000  112.70000
   51    52    74    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    58.35000  112.70000
   52    74    65    58.35000  112.70000
   52    74    75    37.50000  110.70000
   52    74    79    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    58.35000  112.70000
   61    64    82    58.35000  112.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    65    66    37.50000  110.70000
   64    65    71    58.35000  112.70000
   64    65    74    58.35000  112.70000
   64    82    76    58.35000  112.70000
   64    82    83    37.50000  110.70000
   64    82    84    50.00000  109.50000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    76    58.35000  112.70000
   65    74    75    37.50000  110.70000
   65    74    79    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    82    58.35000  112.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    50.00000  109.50000
   78    76    77    33.00000  107.80000
   82    64    65    58.35000  112.70000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    84    85    60.00000  109.50000
   84    82    83    35.00000  109.50000
   84    85    86    35.00000  109.50000
   84    85    87    90.00000  108.56700
   84    85   101    92.60000  111.55000
   85    87    88    45.00000  108.72000
   85    87    89    75.00000  109.43000
   85    87    91    90.00000  111.58700
   85   101    97    60.00000  109.50000
   87    85    86    45.00000  112.01100
   87    89    90    37.50000  110.70000
   87    89    93    58.35000  112.70000
   87    89    95    50.00000  109.50000
   87    91    92    55.00000  108.50000
   89    87    88    37.50000  110.70000
   89    93    94    37.50000  110.70000
   89    93    97    58.35000  112.70000
   89    93    99    50.00000  109.50000
   89    95    96    55.00000  108.50000
   93    89    90    37.50000  110.70000
   93    97    98    37.50000  110.70000
   93    97   101    50.00000  109.50000
   93    97   102    70.00000  109.69300
   93    99   100    55.00000  108.50000
   97    93    94    37.50000  110.70000
   97   102   103    70.00000  117.00000
   97   102   104    70.00000  117.00000
  101    85    86    35.00000  109.50000
  101    85    87    90.00000  108.56700
  101    97    98    35.00000  109.50000
  102    97    98    35.00000  109.50000
  102    97   101    85.00000  109.63000
  104   102   103    80.00000  126.00000
   99    93    94    35.00000  109.50000
   99    93    97    50.00000  109.50000
   95    89    90    35.00000  109.50000
   95    89    93    50.00000  109.50000
   91    87    88    35.00000  109.50000
   91    87    89    50.00000  109.50000
   74    52    53    37.50000  110.70000
   74    52    58    58.35000  112.70000
   74    65    66    37.50000  110.70000
   74    65    71    58.35000  112.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    40    58.35000  112.70000
   79    74    75    37.50000  110.70000
   79    40    41    37.50000  110.70000
   79    40    42    37.50000  110.70000
   81    79    80    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    79    80    37.50000  110.70000
   40    79    81    37.50000  110.70000
   42    40    41    33.00000  107.80000
   67    64    65    58.35000  112.70000
   67    64    82    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
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   93    89    95    96   0.21250  1.0 3.0
   93    97  -101    85   0.06250  1.0 1.0
   93    97  -101    85  -0.01100 -1.0 2.0
   93    97  -101    85   0.28050  1.0 3.0
   93    97   102   103   0.41150 -1.0 2.0
   93    97   102   104   0.41150 -1.0 2.0
   94    93    97    98   0.15000  1.0 3.0
   94    93    97   101   0.23400  1.0 3.0
   94    93    97   102  -0.11250  1.0 3.0
   94    93    99   100   0.19450  1.0 3.0
   97    93    99   100  -0.11600  1.0 1.0
   97    93    99   100  -0.09450 -1.0 2.0
   97    93    99   100   0.21250  1.0 3.0
   98    97   101    85   0.37050  1.0 3.0
   98    97   102   103   0.00000  1.0 1.0
   98    97   102   104   0.00000  1.0 1.0
  101    85    87    88   0.23400  1.0 3.0
  101    85   -87    89   0.62750  1.0 1.0
  101    85   -87    89  -0.30950 -1.0 2.0
  101    85   -87    89   0.27300  1.0 3.0
  101    85    87    91   3.69350  1.0 1.0
  101    85    87    91  -1.82950 -1.0 2.0
  101    97   102   103   0.30150 -1.0 2.0
  101    97   102   104   0.30150 -1.0 2.0
  102    97   101    85  -1.11000  1.0 1.0
  102    97   101    85   0.50250 -1.0 2.0
  102    97   101    85   0.47450  1.0 3.0
   99    93    97    98   0.23400  1.0 3.0
   99    93    97   101   3.69350  1.0 1.0
   99    93    97   101  -1.82950 -1.0 2.0
   99    93    97   102  -5.33000  1.0 1.0
   99    93    97   102  -0.54250 -1.0 2.0
   99    93    97   102  -0.07300  1.0 3.0
   95    89    93    94   0.23400  1.0 3.0
   95    89    93    97   0.86500  1.0 1.0
   95    89    93    97  -0.17500 -1.0 2.0
   95    89    93    97   0.20800  1.0 3.0
   95    89    93    99   3.75450  1.0 1.0
   91    87    89    90   0.23400  1.0 3.0
   91    87    89    93   0.86500  1.0 1.0
   91    87    89    93  -0.17500 -1.0 2.0
   91    87    89    93   0.20800  1.0 3.0
   91    87    89    95   3.75450  1.0 1.0
   74    52    58    59   0.15000  1.0 3.0
   74    52    58    60   0.15000  1.0 3.0
   74    52   -58    61   0.56750  1.0 1.0
   74    52   -58    61  -0.07550 -1.0 2.0
   74    52   -58    61   0.20000  1.0 3.0
   74    65    71    72   0.15000  1.0 3.0
   74    65    71    73   0.15000  1.0 3.0
   74    65    71    76   0.56750  1.0 1.0
   74    65    71    76  -0.07550 -1.0 2.0
   74    65    71    76   0.20000  1.0 3.0
   74    79   -40    33   0.56750  1.0 1.0
   74    79   -40    33  -0.07550 -1.0 2.0
   74    79   -40    33   0.20000  1.0 3.0
   74    79    40    41   0.15000  1.0 3.0
   74    79    40    42   0.15000  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    40   0.15000  1.0 3.0
   80    79    40    33   0.15000  1.0 3.0
   80    79    40    41   0.15000  1.0 3.0
   80    79    40    42   0.15000  1.0 3.0
   81    79    40    33   0.15000  1.0 3.0
   81    79    40    41   0.15000  1.0 3.0
   81    79    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33   -51    52   0.56750  1.0 1.0
   40    33   -51    52  -0.07550 -1.0 2.0
   40    33   -51    52   0.20000  1.0 3.0
   40    33    51    54   0.56750  1.0 1.0
   40    33    51    54  -0.07550 -1.0 2.0
   40    33    51    54   0.20000  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.56750  1.0 1.0
   67    64    65    71  -0.07550 -1.0 2.0
   67    64    65    71   0.20000  1.0 3.0
   67    64    65    74   0.56750  1.0 1.0
   67    64    65    74  -0.07550 -1.0 2.0
   67    64    65    74   0.20000  1.0 3.0
   67    64    82    76   0.56750  1.0 1.0
   67    64    82    76  -0.07550 -1.0 2.0
   67    64    82    76   0.20000  1.0 3.0
   67    64    82    83   0.15000  1.0 3.0
   67    64    82    84   0.62750  1.0 1.0
   67    64    82    84  -0.30950 -1.0 2.0
   67    64    82    84   0.27300  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    74   0.56750  1.0 1.0
   54    51    52    74  -0.07550 -1.0 2.0
   54    51    52    74   0.20000  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
   37    45    43    44  10.50000 -1.0 2.0
  103    97   102   104  10.50000 -1.0 2.0
END
