* LIGAND DATABASE FILE (OPLS2005)
*
001     101   104    199    328     606
    1     0 S   NP   _N1_     1    28.90226    95.98140   -25.12147
    2     1 S   H    _HN1     2     1.02948    71.42579     7.62882
    3     1 S   H    _H1_     3     1.02827    35.73506  -175.43400
    4     1 S   H    _H2_     4     1.02798   118.04203   -93.76429
    5     1 S   CT   _CA1     5     1.50137   126.09862   109.79646
    6     5 S   HC   _HA1     6     1.09573   105.15904    96.37895
    7     5 S   CO3  _C1_     7     1.53761   112.38508   -23.84840
    8     7 S   O2Z  _O11     8     1.26382   115.00282   -43.97914
    9     7 S   O2Z  _O12     9     1.26223   114.93446   134.91836
   10     5 S   CT   _CB1    10     1.53040   107.38982  -145.65926
   11    10 S   HC   HB11    11     1.09847   109.34871   -49.05223
   12    10 S   HC   HB12    12     1.09810   110.47754    67.52858
   13    10 S   CT   _CG1    13     1.53045   112.66320  -169.94844
   14    13 S   HC   HG11    14     1.09564   110.79659   -67.42051
   15    13 S   HC   HG12    15     1.09663   109.67577    51.85781
   16    13 S   C    _CD1    16     1.51815   111.77131   172.40048
   17    16 S   O    _OE1    17     1.22779   123.08430    15.31146
   18    16 S   N    _N2_    18     1.38628   111.99422  -164.79384
   19    18 S   H    _HN2    19     1.01592   119.06270     0.71819
   20    18 S   CT1  _CA2    20     1.46246   123.29869   176.52092
   21    20 S   HC   _HA2    21     1.09744   109.24468     8.65131
   22    20 S   C    _C2_    22     1.53707   109.00998  -106.89664
   23    22 S   O    _O2_    23     1.23093   122.18432  -149.45523
   24    20 S   CT   _CB2    32     1.53485   111.65554   130.59626
   25    24 S   HC   HB21    33     1.09396   109.48841    58.15542
   26    24 S   HC   HB22    34     1.09405   109.49288   176.90573
   27    22 S   N    _N3_    24     1.38295   113.93963    38.06192
   28    27 S   H    _HN3    25     1.01533   119.62436    -3.29675
   29    24 S   S    _SG2    35     1.82975   111.03251   -63.69978
   30    27 S   CT   _CA3    26     1.45281   123.30967   177.20348
   31    30 S   HC   HA31    27     1.09547   107.51050   -64.91057
   32    30 S   HC   HA32    28     1.09555   108.00408    51.55385
   33    29 S   CT   _C20    36     1.91358   102.47686   169.95889
   34    30 S   CO3  _C3_    29     1.52985   114.02731   173.55335
   35    34 S   O2Z  _O31    30     1.26389   116.07752    -0.48295
   36    34 S   O2Z  _O32    31     1.26423   114.42030   179.58129
   37    33 S   CM   _C4_    37     1.51649   103.80402   -66.03565
   38    37 S   HC   _H35    38     1.08962   116.64848    87.49949
   39    33 S   CT   _C13    55     1.54414   109.48316    54.68804
   40    39 S   HC   _H44    56     1.09617   111.60857   -59.85914
   41    39 S   HC   _H45    57     1.09748   110.07839  -174.93709
   42    37 S   CMA  _C5_    39     1.35086   125.24318   -91.54306
   43    42 S   OM   _O26    40     1.26211   129.24882   179.07022
   44    42 S   CT   _C9_    41     1.52986   119.53514    -1.88481
   45    44 S   HC   _H36    42     1.09992   110.25384   125.72161
   46    44 S   HC   _H37    43     1.10098   108.43437  -118.49130
   47    44 S   CT   _C10    44     1.54256   116.97157     2.73259
   48    47 S   HC   _H38    45     1.09629   109.07802    92.12821
   49    47 S   HC   _H39    46     1.09716   107.80752  -154.33824
   50    33 S   CT   _C22    47     1.58951   111.80323   174.94596
   51    50 S   CT   _C18    48     1.58159   108.93393   -60.32925
   52    51 S   HC   _H52    49     1.09836   106.69962    58.10665
   53    50 S   CT   _C24    98     1.56549   111.03761   178.04636
   54    53 S   HC   _H54    99     1.09192   113.14723    76.89047
   55    53 S   HC   _H55   100     1.09403   112.81711   -43.38916
   56    53 S   HC   _H56   101     1.09473   111.38482  -162.15142
   57    51 S   CT   _C16    50     1.56633   111.57601   -57.20578
   58    57 S   HC   _H50    51     1.09336   109.53547   -67.78177
   59    51 S   CT   _C19    71     1.55751   116.49765   172.42609
   60    59 S   HC   _H53    72     1.09587   108.81485   -59.99242
   61    57 S   CT   _C11    52     1.54023   112.70654    50.56284
   62    61 S   HC   _H40    53     1.09722   109.28676  -168.69908
   63    61 S   HC   _H41    54     1.09637   109.86788    75.80446
   64    57 S   CT   _C17    58     1.53754   108.26966   173.73252
   65    64 S   HC   _H51    59     1.10252   105.88744   -58.98662
   66    59 S   OH   _O33    73     1.41914   111.75843    57.49195
   67    66 S   HO   _H66    74     0.97226   107.75663  -176.92833
   68    64 S   CT   _C12    60     1.52461   118.72059  -177.75258
   69    68 S   HC   _H42    61     1.09488   111.94832    77.81654
   70    68 S   HC   _H43    62     1.09590   111.50535   -42.75420
   71    68 S   CT   _C14    63     1.54230   104.33788  -161.88840
   72    71 S   HC   _H46    64     1.09541   108.68819   128.97869
   73    71 S   HC   _H47    65     1.09625   109.94839  -113.40316
   74    71 S   CT   _C21    66     1.55073   106.63996     7.59481
   75    64 S   CT   _C23    67     1.54938   113.84282    60.05300
   76    74 S   CO4  _C6_    79     1.53395   113.93429   149.27075
   77    76 S   O    _O28    80     1.23227   121.36522  -144.16168
   78    74 S   OH   _O34    96     1.43065   107.13391   -96.06116
   79    78 S   HO   _H67    97     0.97257   108.28877  -179.78694
   80    75 S   CT   _C15    68     1.54498   107.39853   -60.14313
   81    80 S   HC   _H48    69     1.09636   110.09623   -65.20725
   82    80 S   HC   _H49    70     1.09645   109.59675   177.63322
   83    75 S   CT   _C25    75     1.55590   112.88185    61.89734
   84    83 S   HC   _H57    76     1.09468   112.64455    71.74950
   85    83 S   HC   _H58    77     1.09138   113.28333   -48.68018
   86    83 S   HC   _H59    78     1.09527   110.93952  -168.61807
   87    76 S   CT   _C26    81     1.52150   117.24608    39.97202
   88    87 S   HC   _H60    82     1.09460   108.90700    50.75131
   89    87 S   HC   _H61    83     1.09372   108.99879   -70.86004
   90    87 S   OS   _O35    84     1.42901   108.91542   169.95891
   91    90 S   CO4  _C8_    85     1.36562   115.19967   179.77619
   92    91 S   O    _O30    86     1.22348   125.58379    -1.69258
   93    91 S   CT   _C28    87     1.51277   109.12108  -179.87805
   94    93 S   HC   _H64    88     1.09599   108.97201   -40.36466
   95    93 S   HC   _H65    89     1.09565   107.37619    76.76943
   96    93 S   CT   _C27    90     1.52334   112.62056  -162.61202
   97    96 S   HC   _H62    91     1.09722   108.46380  -170.28552
   98    96 S   HC   _H63    92     1.09709   110.03141   -53.50230
   99    96 S   CO3  _C7_    93     1.53309   116.01218    69.63937
  100    99 S   O2Z  _O27    94     1.26143   116.56171     6.52967
  101    99 S   O2Z  _O29    95     1.26498   114.08280  -173.89305
  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
  23   2   1   1  14   5  13   6   5   8   4   8   5   4  11   4
   3  14  21   9   5   2   1   1  17   8  11   6   6   2   1  18
   8   5   1  11   6   5  11   5   4  16  12  10   5   4   1   6
   2   1   3   2   1   1   6   3   2   6   8   4   8   5   4   5
   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    61    39    40    41    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    57    61    62    63    39    40    41    59    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    61    39    40    41    53  
   42    43    44    50    39  
   40    41    64    53    42    47    50    51    57    58    61    62    63  
   41    50    57    61    62    63  
   50    57    61    62    63  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    57    59    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    61    64    80    59    60    66    53    54    55    56  
   52    57    58    61    62    63    64    65    68    75    80    81    82    59    60    66    67    53    54    55    56  
   57    58    61    64    80    59    60    66    53  
   54    55    56    57    59  
   55    56  
   56  
    0  
   58    61    62    63    64    65    68    69    70    71    74    75    80    59    60    66    83  
   61    62    63    64    65    68    75    59  
   60    66    67    83    61    64    74    75    80    81    82  
   66    67    75    80    81    82  
   62    63    64    65    68    75  
   63    64  
   64  
   65    68    69    70    71    72    73    74    75    80    81    82    83    84    85    86    76    78  
   68    69    70    71    74    75    80    83  
   67    75    80    81    82  
   80  
   69    70    71    72    73    74    75    80    83    76    78  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72    73    74    75    80    83    76    77    87    78    79  
   73    74    75    76    78  
   74    75    76    78  
   75    80    81    82    83    84    85    86    76    77    87    88    89    90    78    79  
   80    81    82    83    84    85    86    76    77    87    78    79  
   77    87    88    89    90    91    78    79    80    83  
   87    88    89    90    78  
   79    80    83    87  
    0  
   81    82    83    84    85    86  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    91    92    93  
   89    90    91  
   90    91  
   91    92    93    94    95    96  
   92    93    94    95    96    97    98    99  
   93    94    95    96  
   94    95    96    97    98    99   100   101  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101  
  100   101  
  101  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   91   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  101   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   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    59   268.000  1.529
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    75   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   268.000  1.529
   74    76   317.000  1.522
   74    78   320.000  1.410
   75    80   268.000  1.529
   75    83   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    59   268.000  1.529
   59    60   340.000  1.090
   59    66   320.000  1.410
   66    67   553.000  0.945
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   76    77   570.000  1.229
   76    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   320.000  1.410
   90    91   214.000  1.327
   91    92   570.000  1.229
   91    93   317.000  1.522
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   317.000  1.522
   99   100   656.000  1.250
   99   101   656.000  1.250
   78    79   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    61    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    59    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    61    58.35000  112.70000
   51    57    64    58.35000  112.70000
   51    59    80    58.35000  112.70000
   51    59    60    37.50000  110.70000
   51    59    66    50.00000  109.50000
   57    51    52    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    39    58.35000  112.70000
   57    64    65    37.50000  110.70000
   57    64    68    58.35000  112.70000
   57    64    75    58.35000  112.70000
   61    57    58    37.50000  110.70000
   61    39    40    37.50000  110.70000
   61    39    41    37.50000  110.70000
   63    61    62    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    61    62    37.50000  110.70000
   39    61    63    37.50000  110.70000
   41    39    40    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    61    58.35000  112.70000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    58.35000  112.70000
   64    75    74    58.35000  112.70000
   64    75    80    58.35000  112.70000
   64    75    83    58.35000  112.70000
   68    64    65    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    74    75    58.35000  112.70000
   71    74    76    63.00000  111.10000
   71    74    78    50.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    75    80    58.35000  112.70000
   74    75    83    58.35000  112.70000
   74    76    77    80.00000  120.40000
   74    76    87    70.00000  116.00000
   74    78    79    55.00000  108.50000
   75    64    65    37.50000  110.70000
   75    64    68    58.35000  112.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    59    58.35000  112.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   80    59    60    37.50000  110.70000
   80    59    66    50.00000  109.50000
   82    80    81    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    57    58.35000  112.70000
   59    80    81    37.50000  110.70000
   59    80    82    37.50000  110.70000
   59    66    67    55.00000  108.50000
   66    59    60    35.00000  109.50000
   83    75    80    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   76    74    75    63.00000  111.10000
   76    87    88    35.00000  109.50000
   76    87    89    35.00000  109.50000
   76    87    90    90.00000  108.74100
   87    76    77    80.00000  120.40000
   87    90    91    83.00000  116.90000
   89    87    88    33.00000  107.80000
   90    87    88    35.00000  109.50000
   90    87    89    35.00000  109.50000
   90    91    92    83.00000  123.40000
   90    91    93    81.00000  111.40000
   91    93    94    35.00000  109.50000
   91    93    95    35.00000  109.50000
   91    93    96    63.00000  111.10000
   93    91    92    80.00000  120.40000
   93    96    97    37.50000  110.70000
   93    96    98    37.50000  110.70000
   93    96    99    70.00000  109.69300
   95    93    94    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    37.50000  110.70000
   96    99   100    70.00000  117.00000
   96    99   101    70.00000  117.00000
   98    96    97    33.00000  107.80000
   99    96    97    35.00000  109.50000
   99    96    98    35.00000  109.50000
  101    99   100    80.00000  126.00000
   78    74    75    50.00000  109.50000
   78    74    76    90.00000  109.61100
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
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   91    93    96    97  -0.11250  1.0 3.0
   91    93    96    98  -0.11250  1.0 3.0
   91    93    96    99  -0.30950  1.0 1.0
   91    93    96    99   1.11150 -1.0 2.0
   91    93    96    99   0.40350  1.0 3.0
   92    91    93    94   0.00000  1.0 1.0
   92    91    93    95   0.00000  1.0 1.0
   92    91    93    96   0.30150 -1.0 2.0
   93    96    99   100   0.41150 -1.0 2.0
   93    96    99   101   0.41150 -1.0 2.0
   94    93    96    97   0.15000  1.0 3.0
   94    93    96    98   0.15000  1.0 3.0
   94    93    96    99  -0.11250  1.0 3.0
   95    93    96    97   0.15000  1.0 3.0
   95    93    96    98   0.15000  1.0 3.0
   95    93    96    99  -0.11250  1.0 3.0
   97    96    99   100   0.00000  1.0 1.0
   97    96    99   101   0.00000  1.0 1.0
   98    96    99   100   0.00000  1.0 1.0
   98    96    99   101   0.00000  1.0 1.0
   78    74    75    64   0.86500  1.0 1.0
   78    74    75    64  -0.17500 -1.0 2.0
   78    74    75    64   0.20800  1.0 3.0
   78    74    75    80   0.86500  1.0 1.0
   78    74    75    80  -0.17500 -1.0 2.0
   78    74    75    80   0.20800  1.0 3.0
   78    74    75    83   0.86500  1.0 1.0
   78    74    75    83  -0.17500 -1.0 2.0
   78    74    75    83   0.20800  1.0 3.0
   78    74    76    77   0.30150 -1.0 2.0
   78    74    76    87   0.55300  1.0 1.0
   78    74    76    87   1.25850 -1.0 2.0
   78    74    76    87  -0.23600  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    59   0.56750  1.0 1.0
   53    50    51    59  -0.07550 -1.0 2.0
   53    50    51    59   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    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   74    87    76    77  10.50000 -1.0 2.0
   90    93    91    92  10.50000 -1.0 2.0
  100    96    99   101  10.50000 -1.0 2.0
END
