* LIGAND DATABASE FILE (OPLS2005)
*
001     100   103    201    334     616
    1     0 S   NP   _N1_     1    28.68508    94.48332   -24.23595
    2     1 S   H    _HN1     2     1.02782   107.47257   -90.54122
    3     1 S   H    _H1_     3     1.02949    83.01642    16.56167
    4     1 S   H    _H2_     4     1.02826    26.04057   174.32163
    5     1 S   CT   _CA1     5     1.50120   130.41877   127.47523
    6     5 S   HC   _HA1     6     1.09574   105.19395    79.30501
    7     5 S   CO3  _C1_     7     1.53780   112.36457   -40.90790
    8     7 S   O2Z  _O11     8     1.26374   115.00152   -44.31965
    9     7 S   O2Z  _O12     9     1.26230   114.92889   134.68500
   10     5 S   CT   _CB1    10     1.53067   107.40349  -162.76486
   11    10 S   HC   HB11    11     1.09834   109.35571   -49.86669
   12    10 S   HC   HB12    12     1.09812   110.46510    66.72600
   13    10 S   CT   _CG1    13     1.52993   112.61802  -170.84449
   14    13 S   HC   HG11    14     1.09591   110.62550   -65.55309
   15    13 S   HC   HG12    15     1.09667   109.81216    53.69138
   16    13 S   C    _CD1    16     1.51811   112.16645   174.11234
   17    16 S   O    _OE1    17     1.22737   123.27957     6.49978
   18    16 S   N    _N2_    18     1.38633   111.70329  -173.62963
   19    18 S   H    _HN2    19     1.01592   118.93372     1.52880
   20    18 S   CT1  _CA2    20     1.46237   123.38495   178.06447
   21    20 S   HC   _HA2    21     1.09736   109.40994     1.70961
   22    20 S   C    _C2_    22     1.53516   108.62258  -113.84949
   23    22 S   O    _O2_    23     1.23060   122.26713  -147.76172
   24    20 S   CT   _CB2    32     1.53465   111.44238   123.75514
   25    24 S   HC   HB21    33     1.09313   109.31788    57.39415
   26    24 S   HC   HB22    34     1.09476   109.82648   176.03335
   27    22 S   N    _N3_    24     1.38326   113.69423    39.68093
   28    27 S   H    _HN3    25     1.01594   119.58004    -3.39834
   29    24 S   S    _SG2    35     1.82979   110.93563   -64.81978
   30    27 S   CT   _CA3    26     1.45285   123.18186   177.09546
   31    30 S   HC   HA31    27     1.09550   107.52067   -64.26337
   32    30 S   HC   HA32    28     1.09558   107.96405    52.16002
   33    29 S   CT   _C21    36     1.88723   103.22427   165.23152
   34    30 S   CO3  _C3_    29     1.52952   114.11091   174.16269
   35    34 S   O2Z  _O31    30     1.26371   116.07781    -0.28531
   36    34 S   O2Z  _O32    31     1.26431   114.40615   179.76761
   37    33 S   CT   _C7_    37     1.55170   107.35703   -70.73216
   38    37 S   HC   _H33    38     1.09507   111.82327   170.75365
   39    37 S   HC   _H34    39     1.09453   112.02839    53.00359
   40    33 S   CT   _C12    86     1.54898   108.57707    47.21779
   41    40 S   HC   _H43    87     1.09902   110.17198    48.92868
   42    40 S   HC   _H44    88     1.09778   110.64604   -66.65858
   43    37 S   CO4  _C4_    40     1.51185   112.69639   -69.47575
   44    43 S   O    _O26    41     1.23017   121.51671   133.50145
   45    43 S   CT   _C6_    42     1.50631   116.57142   -51.60707
   46    45 S   HC   _H31    43     1.09552   108.77984   171.34206
   47    45 S   HC   _H32    44     1.09403   108.78647   -71.72472
   48    45 S   CT   _C8_    45     1.52109   110.09781    51.32383
   49    48 S   HC   _H35    46     1.09805   107.82994    68.74030
   50    48 S   HC   _H36    47     1.09513   109.12272  -178.42033
   51    33 S   CT   _C19    48     1.60367   109.85902   168.74516
   52    51 S   CT   _C14    49     1.57792   108.11671  -172.06991
   53    52 S   HC   _H46    50     1.09180   105.46181   -58.51693
   54    51 S   CT   _C22    97     1.55463   112.72052   -50.95822
   55    54 S   HC   _H51    98     1.09287   112.77552   -50.51548
   56    54 S   HC   _H52    99     1.09508   111.20697  -171.56124
   57    54 S   HC   _H53   100     1.09531   112.03721    70.16749
   58    52 S   CT   _C11    51     1.54304   117.36468  -174.86760
   59    58 S   HC   _H41    52     1.09665   109.73022   -75.67475
   60    58 S   HC   _H42    53     1.09296   111.33238    42.52924
   61    58 S   CT   _C17    54     1.55032   110.87541   163.51264
   62    61 S   HC   _H49    55     1.09596   107.92195   158.69441
   63    61 S   CT   _C20    56     1.56495   114.22798    35.78885
   64    61 S   OH   _O28    95     1.42952   106.84449   -86.77895
   65    64 S   HO   _H65    96     0.97265   107.62797   -69.68738
   66    63 S   CT   _C13    57     1.55551   107.78443    23.93867
   67    66 S   HC   _H45    58     1.10537   105.72042    55.97537
   68    63 S   CT   _C23    91     1.54991   112.88659  -101.31909
   69    68 S   HC   _H54    92     1.09482   111.46134   -60.39107
   70    68 S   HC   _H55    93     1.09438   112.47128  -179.66196
   71    68 S   HC   _H56    94     1.09125   112.79502    59.76760
   72    66 S   CT   _C9_    59     1.52017   104.61781   165.68572
   73    72 S   HC   _H37    60     1.09476   112.08049  -155.98803
   74    72 S   HC   _H38    61     1.09451   112.32261    82.33329
   75    52 S   CT   _C15    82     1.55586   111.99895    58.35496
   76    75 S   HC   _H47    83     1.09922   108.51333    53.80107
   77    72 S   CT   _C10    62     1.53163   103.97030   -35.57063
   78    77 S   HC   _H39    63     1.09611   109.34041   131.07856
   79    77 S   HC   _H40    64     1.09600   110.43403  -110.81362
   80    75 S   CT   _C18    84     1.53157   110.16590   -60.81560
   81    80 S   HC   _H50    85     1.09466   110.40462   -68.22496
   82    63 S   CT   _C16    65     1.57589   114.12471   132.46082
   83    82 S   HC   _H48    66     1.10120   107.45676   -41.03398
   84    80 S   OH   _O29    89     1.42742   109.94165   173.26932
   85    84 S   HO   _H66    90     0.97248   107.66910   177.40256
   86    82 S   CT   _C27    67     1.56005   120.12278    81.09030
   87    86 S   HC   _H64    68     1.09742   108.71220    60.94166
   88    86 S   CT   _C24    69     1.54026   110.20570   177.87266
   89    88 S   HC   _H57    70     1.09522   111.01518    65.33452
   90    88 S   HC   _H58    71     1.09378   111.98335   -55.50232
   91    88 S   HC   _H59    72     1.09423   111.41932  -173.91147
   92    86 S   CT   _C26    73     1.54384   112.28999   -58.62806
   93    92 S   HC   _H62    74     1.09721   109.63110   -53.71385
   94    92 S   HC   _H63    75     1.09078   108.74323    63.04167
   95    92 S   CT   _C25    76     1.52908   114.86750  -177.06015
   96    95 S   HC   _H60    77     1.09688   109.44514   -49.27136
   97    95 S   HC   _H61    78     1.09587   110.25137    69.17800
   98    95 S   CO3  _C5_    79     1.53388   114.64508  -170.71077
   99    98 S   O2Z  _O25    80     1.26169   116.65227   -12.56947
  100    98 S   O2Z  _O27    81     1.26526   114.05694   167.96122
  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  14   6   5   8   4   8   5   4  11
   4   3  14  20   9   5   2   1   1  13   6   5  16   6  23   4
   1  19   9   9   3   2   1  11   6   5   7   3   8   4   3   3
   2  11   4   1   1  12   8   7   3   2   1   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    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    80    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    75    80    81    40    41    42    84    54    55    56    57  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    80    40    41    42    54  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    84    85    54    43    48    51    52    66    75    76    80    81  
   42    84    51    75    80    81  
   84    51    75    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    75    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    60    61    66    75    76    80    54    55    56    57  
   53    58    59    60    61    62    63    66    67    72    75    76    80    81    84    64    54    55    56    57  
   58    59    60    61    66    75    76    80    54  
   55    56    57    58    75  
   56    57  
   57  
    0  
   59    60    61    62    63    66    82    75    76    80    68    64    65  
   60    61    62    63    75    64  
   61    62    63    75    64  
   62    63    66    67    72    77    82    83    86    75    68    69    70    71    64    65  
   63    66    82    68    64    65  
   66    67    72    73    74    77    78    79    82    83    86    87    88    92    75    76    80    68    69    70    71    64    65  
   65    66    68    82  
    0  
   67    72    73    74    77    78    79    82    83    86    75    76    80    81    84    68    69    70    71  
   72    73    74    77    82    75    76    80    68  
   69    70    71    72    75    77    82    83    86  
   70    71    82  
   71    82  
   82  
   73    74    77    78    79    82    83    86    75    76    80  
   74    77    78    79    82    75  
   77    78    79    82    75  
   76    80    81    84    85    77    82  
   80    81    84  
   78    79    82    83    86    87    88    92  
   79    82    83    86  
   82    83    86  
   81    84    85  
   84    85  
   83    86    87    88    89    90    91    92    93    94    95  
   86    87    88    92  
   85  
    0  
   87    88    89    90    91    92    93    94    95    96    97    98  
   88    89    90    91    92    93    94    95  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95    96    97    98    99   100  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100  
   99   100  
  100  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  100   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    75   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   268.000  1.529
   61    64   320.000  1.410
   63    66   268.000  1.529
   63    82   268.000  1.529
   63    68   268.000  1.529
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    86   268.000  1.529
   86    87   340.000  1.090
   86    88   268.000  1.529
   86    92   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   317.000  1.522
   98    99   656.000  1.250
   98   100   656.000  1.250
   75    76   340.000  1.090
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    40   268.000  1.529
   80    84   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   84    85   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   64    65   553.000  0.945
   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    80    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    75    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    75    66    58.35000  112.70000
   52    75    76    37.50000  110.70000
   52    75    80    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    64    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    66    58.35000  112.70000
   61    63    82    58.35000  112.70000
   61    63    68    58.35000  112.70000
   61    64    65    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    72    58.35000  112.70000
   63    66    75    58.35000  112.70000
   63    82    77    58.35000  112.70000
   63    82    83    37.50000  110.70000
   63    82    86    58.35000  112.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    77    58.35000  112.70000
   66    75    76    37.50000  110.70000
   66    75    80    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    82    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    86    58.35000  112.70000
   79    77    78    33.00000  107.80000
   82    63    66    58.35000  112.70000
   82    77    78    37.50000  110.70000
   82    77    79    37.50000  110.70000
   82    86    87    37.50000  110.70000
   82    86    88    58.35000  112.70000
   82    86    92    58.35000  112.70000
   86    82    83    37.50000  110.70000
   86    88    89    37.50000  110.70000
   86    88    90    37.50000  110.70000
   86    88    91    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    58.35000  112.70000
   88    86    87    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    86    87    37.50000  110.70000
   92    86    88    58.35000  112.70000
   92    95    96    37.50000  110.70000
   92    95    97    37.50000  110.70000
   92    95    98    70.00000  109.69300
   94    92    93    33.00000  107.80000
   95    92    93    37.50000  110.70000
   95    92    94    37.50000  110.70000
   95    98    99    70.00000  117.00000
   95    98   100    70.00000  117.00000
   97    95    96    33.00000  107.80000
   98    95    96    35.00000  109.50000
   98    95    97    35.00000  109.50000
  100    98    99    80.00000  126.00000
   75    52    53    37.50000  110.70000
   75    52    58    58.35000  112.70000
   75    66    67    37.50000  110.70000
   75    66    72    58.35000  112.70000
   75    80    81    37.50000  110.70000
   75    80    40    58.35000  112.70000
   75    80    84    50.00000  109.50000
   80    75    76    37.50000  110.70000
   80    40    41    37.50000  110.70000
   80    40    42    37.50000  110.70000
   80    84    85    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    80    81    37.50000  110.70000
   42    40    41    33.00000  107.80000
   84    80    81    35.00000  109.50000
   84    80    40    50.00000  109.50000
   68    63    66    58.35000  112.70000
   68    63    82    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    50.00000  109.50000
   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
   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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   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
   40    80    84    85  -0.11600  1.0 1.0
   40    80    84    85  -0.09450 -1.0 2.0
   40    80    84    85   0.21250  1.0 3.0
   84    80    40    33   0.86500  1.0 1.0
   84    80    40    33  -0.17500 -1.0 2.0
   84    80    40    33   0.20800  1.0 3.0
   84    80    40    41   0.23400  1.0 3.0
   84    80    40    42   0.23400  1.0 3.0
   68    63    66    67   0.15000  1.0 3.0
   68    63    66    72   0.56750  1.0 1.0
   68    63    66    72  -0.07550 -1.0 2.0
   68    63    66    72   0.20000  1.0 3.0
   68    63    66    75   0.56750  1.0 1.0
   68    63    66    75  -0.07550 -1.0 2.0
   68    63    66    75   0.20000  1.0 3.0
   68    63    82    77   0.56750  1.0 1.0
   68    63    82    77  -0.07550 -1.0 2.0
   68    63    82    77   0.20000  1.0 3.0
   68    63    82    83   0.15000  1.0 3.0
   68    63    82    86   0.56750  1.0 1.0
   68    63    82    86  -0.07550 -1.0 2.0
   68    63    82    86   0.20000  1.0 3.0
   64    61    63    66   0.86500  1.0 1.0
   64    61    63    66  -0.17500 -1.0 2.0
   64    61    63    66   0.20800  1.0 3.0
   64    61    63    82   0.86500  1.0 1.0
   64    61    63    82  -0.17500 -1.0 2.0
   64    61    63    82   0.20800  1.0 3.0
   64    61    63    68   0.86500  1.0 1.0
   64    61    63    68  -0.17500 -1.0 2.0
   64    61    63    68   0.20800  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    75   0.56750  1.0 1.0
   54    51    52    75  -0.07550 -1.0 2.0
   54    51    52    75   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
   37    45    43    44  10.50000 -1.0 2.0
   99    95    98   100  10.50000 -1.0 2.0
END
