* LIGAND DATABASE FILE (OPLS2005)
*
001     110   114    215    347     646
    1     0 S   NP   _N1_     1    27.98230    96.30793   -21.88111
    2     1 S   H    _HN1     2     1.02776    95.32021  -109.15661
    3     1 S   H    _H1_     3     1.02958    79.09822    -1.46847
    4     1 S   H    _H2_     4     1.02835    36.71030   137.80538
    5     1 S   CT   _CA1     5     1.50123   144.78046   108.55281
    6     5 S   HC   _HA1     6     1.09573   105.23200    77.38512
    7     5 S   CO3  _C1_     7     1.53801   112.36503   -42.84304
    8     7 S   O2Z  _O11     8     1.26366   115.00108   -43.93088
    9     7 S   O2Z  _O12     9     1.26236   114.94103   135.22576
   10     5 S   CT   _CB1    10     1.53102   107.42759  -164.67545
   11    10 S   HC   HB11    11     1.09825   109.38336   -50.40768
   12    10 S   HC   HB12    12     1.09817   110.40548    66.16520
   13    10 S   CT   _CG1    13     1.53005   112.64329  -171.47721
   14    13 S   HC   HG11    14     1.09597   110.47034   -63.46576
   15    13 S   HC   HG12    15     1.09653   109.94454    55.72660
   16    13 S   C    _CD1    16     1.51832   112.34766   176.13299
   17    16 S   O    _OE1    17     1.22740   123.30355    -1.00054
   18    16 S   N    _N2_    18     1.38538   111.65097   178.91466
   19    18 S   H    _HN2    19     1.01556   119.00661     4.97508
   20    18 S   CT1  _CA2    20     1.45883   123.00623   178.54545
   21    20 S   HC   _HA2    21     1.09725   109.00620    21.78915
   22    20 S   C    _C2_    22     1.52893   106.88006   -95.32426
   23    22 S   O    _O2_    23     1.22993   122.97352   -27.98675
   24    20 S   CT   _CB2    32     1.53393   112.14387   144.91020
   25    24 S   HC   HB21    33     1.09513   109.42059    54.46612
   26    24 S   HC   HB22    34     1.09268   109.54594   173.29647
   27    22 S   N    _N3_    24     1.38485   112.64927   154.74908
   28    27 S   H    _HN3    25     1.01666   120.37322    -1.94098
   29    24 S   S    _SG2    35     1.82785   110.46769   -65.69999
   30    27 S   CT   _CA3    26     1.45356   122.40719   178.59974
   31    30 S   HC   HA31    27     1.09572   107.66550   -58.02690
   32    30 S   HC   HA32    28     1.09565   107.72558    58.26750
   33    29 S   CT   _C21    36     1.88210   103.76070  -175.13607
   34    30 S   CO3  _C3_    29     1.52875   114.40588  -179.95577
   35    34 S   O2Z  _O31    30     1.26320   116.09167    -3.44424
   36    34 S   O2Z  _O32    31     1.26443   114.40126   176.59406
   37    33 S   CM   _C5_    37     1.52753   108.17879    84.64434
   38    33 S   CT   _C26   107     1.54933   110.23767   -34.33999
   39    38 S   HC   _H58   108     1.09501   112.14247   -56.01464
   40    38 S   HC   _H59   109     1.09744   110.79709  -175.69543
   41    38 S   HC   _H60   110     1.09530   113.05960    65.99334
   42    37 S   CMA  _C4_    38     1.35323   126.37112   117.89931
   43    42 S   OM   _O29    39     1.26423   129.15875   178.05037
   44    37 S   OH   _O37   105     1.39325   114.69609   -64.40261
   45    44 S   HO   _H74   106     0.97535   105.96817  -179.44398
   46    42 S   CT   _C11    40     1.52492   119.95531    -1.33911
   47    46 S   HC   _H42    41     1.10085   107.19018   100.03969
   48    46 S   HC   _H43    42     1.10104   110.14507  -145.01661
   49    46 S   CT   _C24    43     1.56039   116.08958   -22.45886
   50    33 S   CT   _C15    44     1.58269   110.66871  -152.86484
   51    50 S   HC   _H49    45     1.10226   104.31017   159.03560
   52    49 S   CT   _C27   101     1.54635   107.53045   -72.25362
   53    52 S   HC   _H61   102     1.09024   112.93844   175.11384
   54    52 S   HC   _H62   103     1.09305   112.09704    54.53782
   55    52 S   HC   _H63   104     1.09047   112.66139   -61.91060
   56    50 S   CT   _C12    46     1.54801   114.70493    43.93858
   57    56 S   HC   _H44    47     1.09428   111.58552   -72.76990
   58    56 S   HC   _H45    48     1.09601   109.43546    45.49385
   59    56 S   CT   _C18    49     1.52663   111.76882   165.16156
   60    59 S   HC   _H52    50     1.09754   107.99433   178.80531
   61    59 S   CT   _C23    51     1.52551   113.34597    55.92779
   62    59 S   OS   _O35    63     1.45843   106.43099   -68.29138
   63    61 S   CT   _C13    52     1.53201   115.51549    82.50505
   64    63 S   HC   _H46    53     1.08820   115.66774   -89.71746
   65    63 S   HC   _H47    54     1.09625   112.12810    34.02254
   66    49 S   CT   _C17    88     1.60131   108.08339   163.92548
   67    66 S   HC   _H51    89     1.09895   102.92750   -52.95645
   68    63 S   OS   _O36    55     1.44914   105.58609   150.21049
   69    68 S   CT   _C22    56     1.46186   108.33051   -10.36650
   70    61 S   CT   _C16    57     1.53193   106.73397  -170.58539
   71    70 S   HC   _H50    58     1.10487   108.81270   -57.73507
   72    69 S   CT   _C20    84     1.54408   106.88816    98.47522
   73    72 S   HC   _H54    85     1.09760   109.11164    67.16600
   74    69 S   CO4  _C10    94     1.52609   104.53470  -140.04430
   75    74 S   O    _O34    95     1.22547   124.33144    19.21375
   76    70 S   CT   _C14    59     1.51660   112.93802    59.40611
   77    76 S   HC   _H48    60     1.09150   112.94109    65.51344
   78    72 S   CT   _C19    86     1.54515   111.65700   -53.24105
   79    78 S   HC   _H53    87     1.09639   109.14727  -160.30913
   80    72 S   OH   _O39    92     1.42457   112.09877  -174.46254
   81    80 S   HO   _H76    93     0.97324   107.75671   -58.95703
   82    74 S   OS   _O41    96     1.36419   110.83953  -161.83190
   83    76 S   CO4  _C6_    61     1.52024   110.27812   -53.84059
   84    83 S   O    _O30    62     1.22798   122.77421  -146.51756
   85    76 S   OS   _O40    64     1.43836   108.36016  -171.70516
   86    78 S   OH   _O38    90     1.42209   107.87317    83.92856
   87    86 S   HO   _H75    91     0.97231   107.84975    64.46845
   88    82 S   CT   _C30    97     1.43123   115.42537   179.73020
   89    88 S   HC   _H70    98     1.09330   108.07025   178.97454
   90    88 S   HC   _H71    99     1.09417   110.37552    60.26617
   91    88 S   HC   _H72   100     1.09409   110.19981   -62.37107
   92    85 S   CO4  _C9_    65     1.36146   117.67960  -148.06787
   93    92 S   O    _O33    66     1.21859   126.72616     1.44076
   94    92 S   CM   _C7_    67     1.48397   106.97714  -179.50032
   95    94 S   HC   _H41    68     1.08780   114.84072   -10.01563
   96    94 S   CM   _C8_    69     1.34791   125.97568   171.68880
   97    96 S   CT   _C25    70     1.50680   124.38820    -3.33131
   98    97 S   HC   _H55    71     1.09446   110.23302    91.60664
   99    97 S   HC   _H56    72     1.09279   112.62847   -30.39673
  100    97 S   HC   _H57    73     1.09411   111.36210  -148.60733
  101    96 S   CT   _C31    74     1.52842   118.83918   176.38432
  102   101 S   HC   _H73    75     1.09900   108.82654    -7.17668
  103   101 S   CT   _C28    76     1.53088   111.95774   110.25639
  104   103 S   HC   _H64    77     1.09473   112.14516    67.40570
  105   103 S   HC   _H65    78     1.09565   110.38197  -172.85589
  106   103 S   HC   _H66    79     1.09552   111.00955   -53.57718
  107   101 S   CT   _C29    80     1.53109   112.06180  -124.38414
  108   107 S   HC   _H67    81     1.09529   111.92987   -66.58074
  109   107 S   HC   _H68    82     1.09556   110.46650   173.62486
  110   107 S   HC   _H69    83     1.09558   110.96263    54.25549
  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   9   3   2   1  10   5   3   1  14   5   4
  19  15   6   8   3   2   1  10   5   4  16   6  19   8  12   5
   4  13   5  11  17  14   6  11   6   9   2   7   4   5   3   2
   1   4   3   1   5   1   1   3   2   1   1   6   3  10   3  14
   7   3   2   1   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    49    50    51    56    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    49    50    51    56    57    58    59    66    52    44    45    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    47    48    49    50    51    56    44    45    38    39    40    41  
   39    40    41    42    44    49    50    51    56  
   40    41    50  
   41    50  
   50  
   43    46    47    48    49    50    66    52    44    45  
   46    47    48    49    44  
   45    46    50  
    0  
   47    48    49    50    51    56    61    78    66    67    52    53    54    55  
   48    49    50    66    52  
   49    50    66    52  
   50    51    56    57    58    59    61    63    70    72    78    79    66    67    86    52    53    54    55  
   51    56    57    58    59    60    61    62    78    66    67    52    53    54    55  
   56    57    58    59    66    52  
   53    54    55    56    61    66    67    78  
   54    55    66  
   55    66  
   66  
   57    58    59    60    61    63    70    83    62    66  
   58    59    60    61    62  
   59    60    61    62  
   60    61    63    64    65    68    69    70    71    76    83    84    62    78    66    67  
   61    63    70    83    62    66  
   63    64    65    68    69    70    71    76    77    83    62    85    72    78    79    66    67    86    74  
   85    66    63    70    76    77    83    84  
   64    65    68    69    70    71    76    72    78    66    67    74  
   65    68    69    70    66  
   68    69    70    66  
   67    86    87    80    68    69    70    71    72    73    76    78    79  
   86    70    72    78    79  
   69    70    71    76    72    73    78    80    74    75    82  
   70    71    76    77    83    85    72    73    78    79    86    80    81    74    75    82    88  
   71    76    77    83    84    85    92    72    73    78    80    74    75    82  
   76    77    83    85    72    74  
   73    78    79    86    87    80    81    74    75    82    76  
   78    79    86    80    81    74  
   75    82    88    89    90    91    76    78    80  
   82    88  
   77    83    84    85    92    93    94  
   83    84    85    92  
   79    86    87    80    81  
   86    87    80  
   81    86  
    0  
   88    89    90    91  
   84    85    92  
   85  
   92    93    94    95    96  
   87  
    0  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95    96    97   101  
   94    95    96  
   95    96    97    98    99   100   101   102   103   107  
   96    97   101  
   97    98    99   100   101   102   103   104   105   106   107   108   109   110  
   98    99   100   101   102   103   107  
   99   100   101  
  100   101  
  101  
  102   103   104   105   106   107   108   109   110  
  103   104   105   106   107   108   109   110  
  104   105   106   107   108   109   110  
  105   106   107  
  106   107  
  107  
  108   109   110  
  109   110  
  110  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   83   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   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    50   268.000  1.529
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   510.000  1.338
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   268.000  1.529
   49    66   268.000  1.529
   49    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    62   320.000  1.410
   61    63   268.000  1.529
   61    70   268.000  1.529
   61    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   320.000  1.410
   68    69   320.000  1.410
   69    70   268.000  1.529
   69    72   268.000  1.529
   69    74   317.000  1.522
   70    71   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    83   317.000  1.522
   76    85   320.000  1.410
   83    84   570.000  1.229
   83    62   214.000  1.327
   85    92   214.000  1.327
   92    93   570.000  1.229
   92    94   320.000  1.462
   94    95   340.000  1.080
   94    96   549.000  1.340
   96    97   317.000  1.510
   96   101   317.000  1.510
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
  101   102   340.000  1.090
  101   103   268.000  1.529
  101   107   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    80   320.000  1.410
   78    79   340.000  1.090
   78    66   268.000  1.529
   78    86   320.000  1.410
   66    67   340.000  1.090
   86    87   553.000  0.945
   80    81   553.000  0.945
   74    75   570.000  1.229
   74    82   214.000  1.327
   82    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   44    45   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    90.00000  109.34000
   33    50    49    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    56    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    46    65.00000  122.18000
   37    44    45    70.00000  107.45700
   42    46    47    45.00000  110.52000
   42    46    48    45.00000  110.52000
   42    46    49    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    49    50    58.35000  112.70000
   46    49    66    58.35000  112.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    50    51    37.50000  110.70000
   49    50    56    58.35000  112.70000
   49    66    61    58.35000  112.70000
   49    66    78    58.35000  112.70000
   49    66    67    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    33    37    70.00000  112.02700
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    58.35000  112.70000
   56    50    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    62    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    63    58.35000  112.70000
   59    61    70    58.35000  112.70000
   59    61    66    58.35000  112.70000
   59    62    83    83.00000  116.90000
   61    59    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    68    50.00000  109.50000
   61    70    69    58.35000  112.70000
   61    70    71    37.50000  110.70000
   61    70    76    58.35000  112.70000
   61    66    78    58.35000  112.70000
   61    66    67    37.50000  110.70000
   63    68    69    60.00000  109.50000
   65    63    64    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    35.00000  109.50000
   68    69    70    50.00000  109.50000
   68    69    72    50.00000  109.50000
   68    69    74    90.00000  108.74100
   69    70    71    37.50000  110.70000
   69    70    76    58.35000  112.70000
   69    72    73    37.50000  110.70000
   69    72    78    58.35000  112.70000
   69    72    80    50.00000  109.50000
   69    74    75    80.00000  120.40000
   69    74    82    81.00000  111.40000
   70    61    63    58.35000  112.70000
   70    76    77    37.50000  110.70000
   70    76    83    63.00000  111.10000
   70    76    85    50.00000  109.50000
   76    70    71    37.50000  110.70000
   76    83    84    80.00000  120.40000
   76    83    62    81.00000  111.40000
   76    85    92    83.00000  116.90000
   83    76    77    35.00000  109.50000
   62    59    60    35.00000  109.50000
   62    59    61    50.00000  109.50000
   62    83    84    83.00000  123.40000
   85    76    77    35.00000  109.50000
   85    76    83    90.00000  108.74100
   85    92    93    83.00000  123.40000
   85    92    94    90.00000  111.29400
   92    94    95    40.00000  117.72500
   92    94    96    65.00000  118.96000
   94    92    93    80.00000  123.72100
   94    96    97    70.00000  124.00000
   94    96   101    70.00000  124.00000
   96    94    95    35.00000  120.00000
   96    97    98    35.00000  109.50000
   96    97    99    35.00000  109.50000
   96    97   100    35.00000  109.50000
   96   101   102    35.00000  109.50000
   96   101   103    70.00000  112.02700
   96   101   107    70.00000  112.02700
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
  101    96    97    65.00000  117.92700
  101   103   104    37.50000  110.70000
  101   103   105    37.50000  110.70000
  101   103   106    37.50000  110.70000
  101   107   108    37.50000  110.70000
  101   107   109    37.50000  110.70000
  101   107   110    37.50000  110.70000
  103   101   102    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107   101   102    37.50000  110.70000
  107   101   103    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   72    69    70    58.35000  112.70000
   72    78    79    37.50000  110.70000
   72    78    66    58.35000  112.70000
   72    78    86    50.00000  109.50000
   72    80    81    55.00000  108.50000
   78    72    73    37.50000  110.70000
   78    66    67    37.50000  110.70000
   78    86    87    55.00000  108.50000
   66    49    50    58.35000  112.70000
   66    61    63    58.35000  112.70000
   66    61    70    58.35000  112.70000
   66    78    79    37.50000  110.70000
   86    78    79    35.00000  109.50000
   86    78    66    50.00000  109.50000
   80    72    73    35.00000  109.50000
   80    72    78    50.00000  109.50000
   74    69    70    63.00000  111.10000
   74    69    72    63.00000  111.10000
   74    82    88    83.00000  116.90000
   82    74    75    83.00000  123.40000
   82    88    89    35.00000  109.50000
   82    88    90    35.00000  109.50000
   82    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   52    49    50    58.35000  112.70000
   52    49    66    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   44    37    42    80.00000  121.38400
   38    33    37    70.00000  112.02700
   38    33    50    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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
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   96   101   103   104   0.15000  1.0 3.0
   96   101   103   105   0.15000  1.0 3.0
   96   101   103   106   0.15000  1.0 3.0
   96   101   107   108   0.15000  1.0 3.0
   96   101   107   109   0.15000  1.0 3.0
   96   101   107   110   0.15000  1.0 3.0
   97    96   101   102   0.34800  1.0 3.0
   97    96   101   103   0.46850  1.0 1.0
   97    96   101   103   0.08550 -1.0 2.0
   97    96   101   103   0.09800  1.0 3.0
   97    96   101   107   0.46850  1.0 1.0
   97    96   101   107   0.08550 -1.0 2.0
   97    96   101   107   0.09800  1.0 3.0
  101    96    97    98   0.34800  1.0 3.0
  101    96    97    99   0.34800  1.0 3.0
  101    96    97   100   0.34800  1.0 3.0
  102   101   103   104   0.15000  1.0 3.0
  102   101   103   105   0.15000  1.0 3.0
  102   101   103   106   0.15000  1.0 3.0
  102   101   107   108   0.15000  1.0 3.0
  102   101   107   109   0.15000  1.0 3.0
  102   101   107   110   0.15000  1.0 3.0
  103   101   107   108   0.15000  1.0 3.0
  103   101   107   109   0.15000  1.0 3.0
  103   101   107   110   0.15000  1.0 3.0
  107   101   103   104   0.15000  1.0 3.0
  107   101   103   105   0.15000  1.0 3.0
  107   101   103   106   0.15000  1.0 3.0
   72    69    70    61   0.56750  1.0 1.0
   72    69    70    61  -0.07550 -1.0 2.0
   72    69    70    61   0.20000  1.0 3.0
   72    69    70    71   0.15000  1.0 3.0
   72    69    70    76   0.56750  1.0 1.0
   72    69    70    76  -0.07550 -1.0 2.0
   72    69    70    76   0.20000  1.0 3.0
   72    69    74    75   0.30150 -1.0 2.0
   72    69    74    82   0.36750  1.0 3.0
   72    78    66    49   0.56750  1.0 1.0
   72    78    66    49  -0.07550 -1.0 2.0
   72    78    66    49   0.20000  1.0 3.0
   72    78   -66    61   0.56750  1.0 1.0
   72    78   -66    61  -0.07550 -1.0 2.0
   72    78   -66    61   0.20000  1.0 3.0
   72    78    66    67   0.15000  1.0 3.0
   72    78    86    87  -0.11600  1.0 1.0
   72    78    86    87  -0.09450 -1.0 2.0
   72    78    86    87   0.21250  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    66   0.15000  1.0 3.0
   73    72    78    86   0.23400  1.0 3.0
   73    72    80    81   0.19450  1.0 3.0
   78    72    80    81  -0.11600  1.0 1.0
   78    72    80    81  -0.09450 -1.0 2.0
   78    72    80    81   0.21250  1.0 3.0
   79    78    66    49   0.15000  1.0 3.0
   79    78    66    61   0.15000  1.0 3.0
   79    78    66    67   0.15000  1.0 3.0
   79    78    86    87   0.19450  1.0 3.0
   66    49    50    33   0.56750  1.0 1.0
   66    49    50    33  -0.07550 -1.0 2.0
   66    49    50    33   0.20000  1.0 3.0
   66    49    50    51   0.15000  1.0 3.0
   66    49   -50    56   0.56750  1.0 1.0
   66    49   -50    56  -0.07550 -1.0 2.0
   66    49   -50    56   0.20000  1.0 3.0
   66    49    52    53   0.15000  1.0 3.0
   66    49    52    54   0.15000  1.0 3.0
   66    49    52    55   0.15000  1.0 3.0
   66    61    63    64   0.15000  1.0 3.0
   66    61    63    65   0.15000  1.0 3.0
   66    61    63    68   0.62750  1.0 1.0
   66    61    63    68  -0.30950 -1.0 2.0
   66    61    63    68   0.27300  1.0 3.0
   66    61   -70    69   0.56750  1.0 1.0
   66    61   -70    69  -0.07550 -1.0 2.0
   66    61   -70    69   0.20000  1.0 3.0
   66    61    70    71   0.15000  1.0 3.0
   66    61    70    76   0.56750  1.0 1.0
   66    61    70    76  -0.07550 -1.0 2.0
   66    61    70    76   0.20000  1.0 3.0
   66    78    86    87  -0.11600  1.0 1.0
   66    78    86    87  -0.09450 -1.0 2.0
   66    78    86    87   0.21250  1.0 3.0
   86    78    66    49   0.86500  1.0 1.0
   86    78    66    49  -0.17500 -1.0 2.0
   86    78    66    49   0.20800  1.0 3.0
   86    78    66    61   0.86500  1.0 1.0
   86    78    66    61  -0.17500 -1.0 2.0
   86    78    66    61   0.20800  1.0 3.0
   86    78    66    67   0.23400  1.0 3.0
   80    72    78    79   0.23400  1.0 3.0
   80    72    78    66   0.86500  1.0 1.0
   80    72    78    66  -0.17500 -1.0 2.0
   80    72    78    66   0.20800  1.0 3.0
   80    72    78    86   3.75450  1.0 1.0
   74    69    70    61  -0.95700  1.0 1.0
   74    69    70    61  -0.18200 -1.0 2.0
   74    69    70    61   0.29450  1.0 3.0
   74    69    70    71  -0.11250  1.0 3.0
   74    69    70    76  -0.95700  1.0 1.0
   74    69    70    76  -0.18200 -1.0 2.0
   74    69    70    76   0.29450  1.0 3.0
   74    69    72    73  -0.11250  1.0 3.0
   74    69    72    78  -0.95700  1.0 1.0
   74    69    72    78  -0.18200 -1.0 2.0
   74    69    72    78   0.29450  1.0 3.0
   74    69    72    80  -0.09450  1.0 1.0
   74    69    72    80  -1.12950 -1.0 2.0
   74    69    72    80   0.54000  1.0 3.0
   74    82    88    89   0.08050  1.0 3.0
   74    82    88    90   0.08050  1.0 3.0
   74    82    88    91   0.08050  1.0 3.0
   75    74    82    88   3.00000 -1.0 2.0
   52    49    50    33   0.56750  1.0 1.0
   52    49    50    33  -0.07550 -1.0 2.0
   52    49    50    33   0.20000  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    56   0.56750  1.0 1.0
   52    49    50    56  -0.07550 -1.0 2.0
   52    49    50    56   0.20000  1.0 3.0
   52    49    66    61   0.56750  1.0 1.0
   52    49    66    61  -0.07550 -1.0 2.0
   52    49    66    61   0.20000  1.0 3.0
   52    49    66    78   0.56750  1.0 1.0
   52    49    66    78  -0.07550 -1.0 2.0
   52    49    66    78   0.20000  1.0 3.0
   52    49    66    67   0.15000  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    46   7.00000 -1.0 2.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.09700  1.0 1.0
   38    33    37    44   0.15600 -1.0 2.0
   38    33    37    44  -0.50800  1.0 3.0
   38    33    50    49   0.56750  1.0 1.0
   38    33    50    49  -0.07550 -1.0 2.0
   38    33    50    49   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    56   0.56750  1.0 1.0
   38    33    50    56  -0.07550 -1.0 2.0
   38    33    50    56   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    44    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   76    62    83    84  10.50000 -1.0 2.0
   85    94    92    93  10.50000 -1.0 2.0
   92    95    94    96  15.00000 -1.0 2.0
   97   101    96    94  15.00000 -1.0 2.0
   69    82    74    75  10.50000 -1.0 2.0
END
