* LIGAND DATABASE FILE (OPLS2005)
*
001     100   105    200    331     602
    1     0 S   NP   _N1_     1    28.85225    94.03769   -23.15507
    2     1 S   H    _HN1     2     1.02824    23.96447   157.38146
    3     1 S   H    _H1_     3     1.02780   101.25411   -93.68580
    4     1 S   H    _H2_     4     1.02957    88.16487    14.64357
    5     1 S   CT   _CA1     5     1.50131   132.84045   131.08265
    6     5 S   HC   _HA1     6     1.09575   105.20744    70.34320
    7     5 S   CO3  _C1_     7     1.53787   112.41597   -49.83563
    8     7 S   O2Z  _O11     8     1.26365   115.01376   -43.10508
    9     7 S   O2Z  _O12     9     1.26244   114.93852   135.98235
   10     5 S   CT   _CB1    10     1.53071   107.37507  -171.76131
   11    10 S   HC   HB11    11     1.09829   109.29535   -50.50765
   12    10 S   HC   HB12    12     1.09817   110.43871    66.03998
   13    10 S   CT   _CG1    13     1.52990   112.69029  -171.58091
   14    13 S   HC   HG11    14     1.09591   110.50804   -65.11885
   15    13 S   HC   HG12    15     1.09663   109.92729    54.13471
   16    13 S   C    _CD1    16     1.51804   112.25784   174.44141
   17    16 S   O    _OE1    17     1.22731   123.29800     1.02297
   18    16 S   N    _N2_    18     1.38658   111.66608  -178.81304
   19    18 S   H    _HN2    19     1.01586   118.99183     1.34363
   20    18 S   CT1  _CA2    20     1.46166   123.28960   178.25056
   21    20 S   HC   _HA2    21     1.09748   109.34886    -2.46498
   22    20 S   C    _C2_    22     1.53490   108.53569  -117.86490
   23    22 S   O    _O2_    23     1.23049   122.32033  -148.05248
   24    20 S   CT   _CB2    32     1.53500   111.79983   119.47059
   25    24 S   HC   HB21    33     1.09550   109.70472    56.33268
   26    24 S   HC   HB22    34     1.09185   109.52036   175.10439
   27    22 S   N    _N3_    24     1.38344   113.60007    39.43231
   28    27 S   H    _HN3    25     1.01617   119.52206    -3.54022
   29    24 S   S    _SG2    35     1.82697   111.22071   -63.75338
   30    27 S   CT   _CA3    26     1.45287   123.16597   177.00245
   31    30 S   HC   HA31    27     1.09551   107.52619   -63.87394
   32    30 S   HC   HA32    28     1.09557   107.95176    52.54098
   33    29 S   CT   _C22    36     1.88277   103.15559  -163.95243
   34    30 S   CO3  _C3_    29     1.52944   114.11864   174.52174
   35    34 S   O2Z  _O31    30     1.26370   116.06060    -0.85340
   36    34 S   O2Z  _O32    31     1.26430   114.41079   179.20549
   37    33 S   CM   _C5_    37     1.50284   104.21736  -145.56822
   38    37 S   CM   _C4_    38     1.34140   125.48153  -103.49746
   39    38 S   HC   _H38    39     1.08741   118.07969  -174.87910
   40    37 S   OS   _O30    95     1.39177   112.72171    84.77428
   41    38 S   CT   _C21    40     1.52697   123.62879    -2.97625
   42    40 S   CO4  _C6_    96     1.37128   104.43504    19.41093
   43    42 S   O    _O26    97     1.22291   123.98205  -179.71607
   44    41 S   CT   _C14    41     1.57778   109.80855    15.47657
   45    44 S   HC   _H46    42     1.09900   107.07394    69.81066
   46    41 S   CT   _C27    91     1.55066   103.64562  -102.62177
   47    46 S   HC   _H59    92     1.08929   113.52833   175.49563
   48    46 S   HC   _H60    93     1.09647   111.71314    56.03157
   49    46 S   HC   _H61    94     1.09257   112.75496   -61.60918
   50    33 S   CT   _C10    98     1.51564   114.08536   -40.63457
   51    50 S   HC   _H39    99     1.09703   112.26732   166.22338
   52    50 S   HC   _H40   100     1.09022   114.76714    42.13575
   53    44 S   CT   _C11    43     1.53925   110.62004  -176.43762
   54    53 S   HC   _H41    44     1.09320   111.76879    61.27581
   55    53 S   HC   _H42    45     1.09580   109.58647   179.13974
   56    33 S   CT   _C17    85     1.56228   113.75947    93.31789
   57    56 S   HC   _H49    86     1.09717   108.21413  -173.08976
   58    53 S   CT   _C18    46     1.53457   110.50239   -62.73851
   59    58 S   HC   _H50    47     1.09721   107.92483   176.34098
   60    56 S   CT   _C26    87     1.53101   113.17118   -57.50876
   61    60 S   HC   _H56    88     1.09405   112.19280    71.97006
   62    60 S   HC   _H57    89     1.09450   110.89339   -49.96839
   63    60 S   HC   _H58    90     1.09518   110.70067  -167.69537
   64    58 S   CT   _C24    48     1.53161   114.74957    52.59580
   65    58 S   OS   _O33    60     1.46357   105.46573   -71.65399
   66    64 S   CT   _C12    49     1.53510   114.90961    86.09756
   67    66 S   HC   _H43    50     1.08723   116.06119   -89.49383
   68    66 S   HC   _H44    51     1.09634   112.06889    34.35876
   69    41 S   CT   _C16    72     1.58643   111.49958   133.15375
   70    69 S   HC   _H48    73     1.09918   103.26113   -59.94518
   71    66 S   OS   _O34    52     1.44702   105.79312   150.61636
   72    71 S   CT   _C23    53     1.46161   108.30730   -10.80258
   73    64 S   CT   _C15    54     1.53376   107.24023  -167.38659
   74    73 S   HC   _H47    55     1.10487   108.84818   -56.96874
   75    72 S   CT   _C20    68     1.54232   106.59531    98.88354
   76    75 S   HC   _H52    69     1.09752   108.74912    67.55819
   77    72 S   CO4  _C8_    78     1.52642   104.00701  -139.52315
   78    77 S   O    _O28    79     1.22622   124.07263    19.97841
   79    73 S   CT   _C13    56     1.51626   112.68200    60.04336
   80    79 S   HC   _H45    57     1.09167   112.94323    62.98601
   81    75 S   CT   _C19    70     1.54691   111.70480   -53.30953
   82    81 S   HC   _H51    71     1.09620   108.82799  -160.37515
   83    75 S   OH   _O36    76     1.42464   110.77905  -174.82695
   84    83 S   HO   _H66    77     0.97264   107.90681  -173.92343
   85    77 S   OS   _O37    80     1.36246   111.26526  -161.16618
   86    79 S   CO4  _C7_    58     1.52013   109.47151   -56.18221
   87    86 S   O    _O27    59     1.22788   122.89740  -144.93440
   88    79 S   OS   _O38    61     1.43744   108.79599  -174.50171
   89    81 S   OH   _O35    74     1.42186   108.76685    83.82405
   90    89 S   HO   _H65    75     0.97233   108.05851    59.74108
   91    85 S   CT   _C28    81     1.43067   115.42682   179.24775
   92    91 S   HC   _H62    82     1.09322   108.08863  -175.80670
   93    91 S   HC   _H63    83     1.09406   110.07878    65.53852
   94    91 S   HC   _H64    84     1.09432   110.52691   -57.15382
   95    88 S   CO4  _C9_    62     1.36416   117.23395  -153.55103
   96    95 S   O    _O29    63     1.22346   126.46794     2.06109
   97    95 S   CT   _C25    64     1.49833   109.71988  -178.71946
   98    97 S   HC   _H53    65     1.09143   109.82574   -77.06485
   99    97 S   HC   _H54    66     1.09379   109.25239   163.12146
  100    97 S   HC   _H55    67     1.09340   110.12925    44.84542
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  19   2   1   1  15  17   5   7  22   5   3  22   9   9   3   2
   1   5   2   1  13   6   5   7   4  16   6   3   2   1   1  19
   8  12   5   4  13   5  11  17  14   6  11   6   9   2   7   4
   5   3   2   1   4   3   1   6   1   1   3   2   1   1   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    56    50    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    56    57    60    40    42    50    51    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    44    45    53    56    57    60    61    62    63    40    42    43    50    51    52  
   35    36  
   36  
    0  
   38    39    41    44    69    56    57    60    46    40    42    43    50    51    52  
   39    41    44    45    53    64    81    69    70    56    46    47    48    49    40    42    50  
   41    44    69    46    40  
   42    43    50    51    52    41    56  
   44    45    53    54    55    58    64    66    73    75    81    82    69    70    89    56    57    60    46    47    48    49  
   43    50    51    52    56  
   50    51    52  
   45    53    54    55    58    59    64    65    81    69    70    56    57    60    61    62    63    46    47    48    49    50  
   53    54    55    58    69    56    57    60    46  
   47    48    49    53    56    64    69    70    81  
   48    49    69  
   49    69  
   69  
   51    52    56    57    60  
   52    56  
   56  
   54    55    58    59    64    66    73    86    65    69    56    57    60  
   55    58    59    64    65    56  
   58    59    64    65    56  
   57    60    61    62    63    58    69  
   60    61    62    63  
   59    64    66    67    68    71    72    73    74    79    86    87    65    81    69    70  
   64    66    73    86    65    69  
   61    62    63  
   62    63  
   63  
    0  
   66    67    68    71    72    73    74    79    80    86    65    88    75    81    82    69    70    89    77  
   88    69    66    73    79    80    86    87  
   67    68    71    72    73    74    79    75    81    69    70    77  
   68    71    72    73    69  
   71    72    73    69  
   70    89    90    83    71    72    73    74    75    76    79    81    82  
   89    73    75    81    82  
   72    73    74    79    75    76    81    83    77    78    85  
   73    74    79    80    86    88    75    76    81    82    89    83    84    77    78    85    91  
   74    79    80    86    87    88    95    75    76    81    83    77    78    85  
   79    80    86    88    75    77  
   76    81    82    89    90    83    84    77    78    85    79  
   81    82    89    83    84    77  
   78    85    91    92    93    94    79    81    83  
   85    91  
   80    86    87    88    95    96    97  
   86    87    88    95  
   82    89    90    83    84  
   89    90    83  
   84    89  
    0  
   91    92    93    94  
   87    88    95  
   88  
   95    96    97    98    99   100  
   90  
    0  
   92    93    94  
   93    94  
   94  
    0  
   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   95   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    56   268.000  1.529
   33    50   268.000  1.529
   37    38   549.000  1.340
   37    40   440.000  1.360
   38    39   340.000  1.080
   38    41   317.000  1.510
   41    44   268.000  1.529
   41    69   268.000  1.529
   41    46   268.000  1.529
   44    45   340.000  1.090
   44    53   268.000  1.529
   44    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    65   320.000  1.410
   64    66   268.000  1.529
   64    73   268.000  1.529
   64    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   320.000  1.410
   72    73   268.000  1.529
   72    75   268.000  1.529
   72    77   317.000  1.522
   73    74   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    86   317.000  1.522
   79    88   320.000  1.410
   86    87   570.000  1.229
   86    65   214.000  1.327
   88    95   214.000  1.327
   95    96   570.000  1.229
   95    97   317.000  1.522
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   75    76   340.000  1.090
   75    81   268.000  1.529
   75    83   320.000  1.410
   81    82   340.000  1.090
   81    69   268.000  1.529
   81    89   320.000  1.410
   69    70   340.000  1.090
   89    90   553.000  0.945
   83    84   553.000  0.945
   77    78   570.000  1.229
   77    85   214.000  1.327
   85    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   56    57   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   40    42   214.000  1.327
   42    43   570.000  1.229
   42    50   317.000  1.522
   50    51   340.000  1.090
   50    52   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    56    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    85.00000  112.85300
   33    56    44    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    60    58.35000  112.70000
   33    50    42    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    52    37.50000  110.70000
   37    38    39    35.00000  120.00000
   37    38    41    70.00000  124.00000
   37    40    42    90.00000  114.22900
   38    41    44    70.00000  112.02700
   38    41    69    70.00000  112.02700
   38    41    46    70.00000  112.02700
   41    38    39    35.00000  117.00000
   41    44    45    37.50000  110.70000
   41    44    53    58.35000  112.70000
   41    44    56    58.35000  112.70000
   41    69    64    58.35000  112.70000
   41    69    81    58.35000  112.70000
   41    69    70    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   44    53    54    37.50000  110.70000
   44    53    55    37.50000  110.70000
   44    53    58    58.35000  112.70000
   44    56    57    37.50000  110.70000
   44    56    60    58.35000  112.70000
   53    44    45    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    64    58.35000  112.70000
   53    58    65    50.00000  109.50000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    64    66    58.35000  112.70000
   58    64    73    58.35000  112.70000
   58    64    69    58.35000  112.70000
   58    65    86    83.00000  116.90000
   64    58    59    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    71    50.00000  109.50000
   64    73    72    58.35000  112.70000
   64    73    74    37.50000  110.70000
   64    73    79    58.35000  112.70000
   64    69    81    58.35000  112.70000
   64    69    70    37.50000  110.70000
   66    71    72    60.00000  109.50000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    72    73    50.00000  109.50000
   71    72    75    50.00000  109.50000
   71    72    77    90.00000  108.74100
   72    73    74    37.50000  110.70000
   72    73    79    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    81    58.35000  112.70000
   72    75    83    50.00000  109.50000
   72    77    78    80.00000  120.40000
   72    77    85    81.00000  111.40000
   73    64    66    58.35000  112.70000
   73    79    80    37.50000  110.70000
   73    79    86    63.00000  111.10000
   73    79    88    50.00000  109.50000
   79    73    74    37.50000  110.70000
   79    86    87    80.00000  120.40000
   79    86    65    81.00000  111.40000
   79    88    95    83.00000  116.90000
   86    79    80    35.00000  109.50000
   65    58    59    35.00000  109.50000
   65    58    64    50.00000  109.50000
   65    86    87    83.00000  123.40000
   88    79    80    35.00000  109.50000
   88    79    86    90.00000  108.74100
   88    95    96    83.00000  123.40000
   88    95    97    81.00000  111.40000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   97    95    96    80.00000  120.40000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   75    72    73    58.35000  112.70000
   75    81    82    37.50000  110.70000
   75    81    69    58.35000  112.70000
   75    81    89    50.00000  109.50000
   75    83    84    55.00000  108.50000
   81    75    76    37.50000  110.70000
   81    69    70    37.50000  110.70000
   81    89    90    55.00000  108.50000
   69    41    44    58.35000  112.70000
   69    64    66    58.35000  112.70000
   69    64    73    58.35000  112.70000
   69    81    82    37.50000  110.70000
   89    81    82    35.00000  109.50000
   89    81    69    50.00000  109.50000
   83    75    76    35.00000  109.50000
   83    75    81    50.00000  109.50000
   77    72    73    63.00000  111.10000
   77    72    75    63.00000  111.10000
   77    85    91    83.00000  116.90000
   85    77    78    83.00000  123.40000
   85    91    92    35.00000  109.50000
   85    91    93    35.00000  109.50000
   85    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   56    33    37    70.00000  112.02700
   56    44    45    37.50000  110.70000
   56    44    53    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   60    56    57    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   46    41    44    58.35000  112.70000
   46    41    69    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   40    37    38    80.00000  120.01400
   40    42    43    83.00000  123.40000
   40    42    50    81.00000  111.40000
   42    50    51    35.00000  109.50000
   42    50    52    35.00000  109.50000
   50    33    37    70.00000  112.02700
   50    33    56    58.35000  112.70000
   50    42    43    80.00000  120.40000
   52    50    51    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
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
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   83    75    81    69  -0.17500 -1.0 2.0
   83    75    81    69   0.20800  1.0 3.0
   83    75    81    89   3.75450  1.0 1.0
   77    72    73    64  -0.95700  1.0 1.0
   77    72    73    64  -0.18200 -1.0 2.0
   77    72    73    64   0.29450  1.0 3.0
   77    72    73    74  -0.11250  1.0 3.0
   77    72    73    79  -0.95700  1.0 1.0
   77    72    73    79  -0.18200 -1.0 2.0
   77    72    73    79   0.29450  1.0 3.0
   77    72    75    76  -0.11250  1.0 3.0
   77    72    75    81  -0.95700  1.0 1.0
   77    72    75    81  -0.18200 -1.0 2.0
   77    72    75    81   0.29450  1.0 3.0
   77    72    75    83  -0.09450  1.0 1.0
   77    72    75    83  -1.12950 -1.0 2.0
   77    72    75    83   0.54000  1.0 3.0
   77    85    91    92   0.08050  1.0 3.0
   77    85    91    93   0.08050  1.0 3.0
   77    85    91    94   0.08050  1.0 3.0
   78    77    85    91   3.00000 -1.0 2.0
   56    33   -37    38   0.09850  1.0 1.0
   56    33   -37    38   0.15250 -1.0 2.0
   56    33   -37    38  -0.50650  1.0 3.0
   56    33    37    40   0.09700  1.0 1.0
   56    33    37    40   0.15600 -1.0 2.0
   56    33    37    40  -0.50800  1.0 3.0
   56    33    50    42  -0.95700  1.0 1.0
   56    33    50    42  -0.18200 -1.0 2.0
   56    33    50    42   0.29450  1.0 3.0
   56    33    50    51   0.15000  1.0 3.0
   56    33    50    52   0.15000  1.0 3.0
   56    44    53    54   0.15000  1.0 3.0
   56    44    53    55   0.15000  1.0 3.0
   56    44    53    58   0.56750  1.0 1.0
   56    44    53    58  -0.07550 -1.0 2.0
   56    44    53    58   0.20000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   46    41    44    45   0.15000  1.0 3.0
   46    41    44    53   0.56750  1.0 1.0
   46    41    44    53  -0.07550 -1.0 2.0
   46    41    44    53   0.20000  1.0 3.0
   46    41    44    56   0.56750  1.0 1.0
   46    41    44    56  -0.07550 -1.0 2.0
   46    41    44    56   0.20000  1.0 3.0
   46    41    69    64   0.56750  1.0 1.0
   46    41    69    64  -0.07550 -1.0 2.0
   46    41    69    64   0.20000  1.0 3.0
   46    41    69    81   0.56750  1.0 1.0
   46    41    69    81  -0.07550 -1.0 2.0
   46    41    69    81   0.20000  1.0 3.0
   46    41    69    70   0.15000  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    41   7.00000 -1.0 2.0
   40    42   -50    33   0.36750  1.0 3.0
   40    42    50    51   0.00000  1.0 1.0
   40    42    50    52   0.00000  1.0 1.0
   43    42    50    33   0.30150 -1.0 2.0
   43    42    50    51   0.00000  1.0 1.0
   43    42    50    52   0.00000  1.0 1.0
   50    33    37    38   0.09850  1.0 1.0
   50    33    37    38   0.15250 -1.0 2.0
   50    33    37    38  -0.50650  1.0 3.0
   50    33   -37    40   0.09700  1.0 1.0
   50    33   -37    40   0.15600 -1.0 2.0
   50    33   -37    40  -0.50800  1.0 3.0
   50    33    56    44   0.56750  1.0 1.0
   50    33    56    44  -0.07550 -1.0 2.0
   50    33    56    44   0.20000  1.0 3.0
   50    33    56    57   0.15000  1.0 3.0
   50    33    56    60   0.56750  1.0 1.0
   50    33    56    60  -0.07550 -1.0 2.0
   50    33    56    60   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    40    37    38   1.10000 -1.0 2.0
   41    39    38    37   1.10000 -1.0 2.0
   79    65    86    87  10.50000 -1.0 2.0
   88    97    95    96  10.50000 -1.0 2.0
   72    85    77    78  10.50000 -1.0 2.0
   40    50    42    43  10.50000 -1.0 2.0
END
