* LIGAND DATABASE FILE (OPLS2005)
*
001     112   115    225    368     686
    1     0 S   NP   _N1_     1    28.74990    95.93889   -25.93449
    2     1 S   H    _HN1     2     1.02798   119.51581   -95.16523
    3     1 S   H    _H1_     3     1.02948    73.43857     6.91568
    4     1 S   H    _H2_     4     1.02827    33.67455  -172.83377
    5     1 S   CT   _CA1     5     1.50129   123.77096   110.75851
    6     5 S   HC   _HA1     6     1.09574   105.16363    94.52120
    7     5 S   CO3  _C1_     7     1.53762   112.40048   -25.70651
    8     7 S   O2Z  _O11     8     1.26378   115.00849   -43.98020
    9     7 S   O2Z  _O12     9     1.26227   114.93248   134.95781
   10     5 S   CT   _CB1    10     1.53046   107.39457  -147.52253
   11    10 S   HC   HB11    11     1.09846   109.34073   -49.23065
   12    10 S   HC   HB12    12     1.09811   110.48049    67.35052
   13    10 S   CT   _CG1    13     1.53039   112.65541  -170.14009
   14    13 S   HC   HG11    14     1.09566   110.77743   -67.33144
   15    13 S   HC   HG12    15     1.09665   109.68394    51.94103
   16    13 S   C    _CD1    16     1.51814   111.83358   172.45969
   17    16 S   O    _OE1    17     1.22773   123.11243    14.28944
   18    16 S   N    _N2_    18     1.38638   111.95191  -165.78453
   19    18 S   H    _HN2    19     1.01588   119.04626     0.84719
   20    18 S   CT1  _CA2    20     1.46243   123.30294   176.45597
   21    20 S   HC   _HA2    21     1.09744   109.25213     8.26914
   22    20 S   C    _C2_    22     1.53711   108.96085  -107.25005
   23    22 S   O    _O2_    23     1.23090   122.19466  -149.43132
   24    20 S   CT   _CB2    32     1.53516   111.67507   130.23549
   25    24 S   HC   HB21    33     1.09388   109.44732    57.92395
   26    24 S   HC   HB22    34     1.09414   109.43562   176.74244
   27    22 S   N    _N3_    24     1.38297   113.92175    38.07798
   28    27 S   H    _HN3    25     1.01535   119.61829    -3.27214
   29    24 S   S    _SG2    35     1.83000   111.04215   -63.85592
   30    27 S   CT   _CA3    26     1.45282   123.31896   177.22251
   31    30 S   HC   HA31    27     1.09547   107.50600   -65.05360
   32    30 S   HC   HA32    28     1.09555   108.01199    51.41663
   33    29 S   CT   _C17    36     1.89478   102.92383   171.53088
   34    30 S   CO3  _C3_    29     1.52986   114.01528   173.41420
   35    34 S   O2Z  _O31    30     1.26389   116.07136    -0.62087
   36    34 S   O2Z  _O32    31     1.26422   114.42213   179.44503
   37    33 S   CM   _C22    37     1.52471   105.50224   -65.42787
   38    37 S   HC   _H30    38     1.09053   115.98992    80.21508
   39    33 S   CT   _C16   102     1.55482   108.10194    52.19597
   40    39 S   HC   _H24   103     1.09839   109.71634    49.84575
   41    39 S   HC   _H25   104     1.09707   111.05303   -67.20064
   42    37 S   CMA  _C21    39     1.35019   127.04827  -100.80306
   43    42 S   OM   _O33    40     1.26211   129.23820  -178.93688
   44    42 S   CT   _C20    41     1.52345   119.57067     0.69774
   45    44 S   HC   _H28    42     1.10016   110.51301   130.83472
   46    44 S   HC   _H29    43     1.09984   109.10321  -112.80284
   47    44 S   CT   _C19    44     1.53270   115.14586     9.32021
   48    47 S   HC   _H26    45     1.09795   108.08371    82.00687
   49    47 S   HC   _H27    46     1.09626   109.09344  -164.89883
   50    33 S   CT   _C18    47     1.59892   110.72751   174.64936
   51    50 S   CT   _C13    48     1.58173   108.74121  -169.36962
   52    51 S   HC   _H6_    49     1.09165   105.31758   -58.98309
   53    50 S   CT   _C23   109     1.55170   112.90476   -47.29936
   54    53 S   HC   _H31   110     1.09322   112.55929   -50.47718
   55    53 S   HC   _H32   111     1.09475   111.35249  -171.59041
   56    53 S   HC   _H33   112     1.09537   111.98662    70.24109
   57    51 S   CT   _C12    50     1.54014   117.54401  -175.07335
   58    57 S   HC   _H20    51     1.09376   111.72798    45.77175
   59    57 S   HC   _H21    52     1.09669   109.88143   -72.27612
   60    57 S   CT   _C11    53     1.54942   112.06127   166.72622
   61    60 S   HC   _H18    54     1.09158   107.23488   159.54854
   62    60 S   HC   _H19    55     1.09802   108.16267   -88.26282
   63    60 S   CT   _C10    56     1.54929   114.00986    33.95664
   64    63 S   CT   _C9_    57     1.54098   110.10932    23.53512
   65    64 S   HC   _H5_    58     1.09966   106.71160    59.00145
   66    63 S   CT   _C24   105     1.56173   108.19293   -99.94047
   67    66 S   HC   _H34   106     1.09487   112.53252  -178.72175
   68    66 S   HC   _H35   107     1.08948   113.82060    59.65481
   69    66 S   HC   _H36   108     1.09724   110.09043   -60.06218
   70    64 S   CT   _C8_    59     1.51994   104.28369   169.61647
   71    70 S   HC   _H16    60     1.09482   112.10375  -159.96255
   72    70 S   HC   _H17    61     1.09468   112.33792    78.78270
   73    51 S   CT   _C14    97     1.55068   111.47836    57.11483
   74    73 S   HC   _H7_    98     1.09837   108.40583    51.09729
   75    70 S   CT   _C7_    62     1.53441   103.34811   -39.91504
   76    75 S   HC   _H14    63     1.09596   110.20718   141.62941
   77    75 S   HC   _H15    64     1.09381   109.39356  -101.41536
   78    73 S   CT   _C15    99     1.52401   109.11536   -63.42430
   79    78 S   HC   _H22   100     1.09554   111.01587   -62.50354
   80    78 S   HC   _H23   101     1.09597   110.44624   179.09043
   81    63 S   CT   _C6_    65     1.57469   118.48427   139.97253
   82    81 S   HC   _H4_    66     1.09588   106.31364    97.21875
   83    81 S   CT   _C5_    67     1.56259   119.95575   -21.86684
   84    83 S   HC   _H3_    68     1.09735   107.97220    56.59920
   85    83 S   CT   _C4_    69     1.54056   113.95664   -60.75193
   86    85 S   HC   _H11    70     1.09395   111.85581   -66.46196
   87    85 S   HC   _H12    71     1.09112   112.37173    55.43330
   88    85 S   HC   _H13    72     1.09501   111.03377   173.41623
   89    83 S   CT   _C25    73     1.56655   112.49660   173.97081
   90    89 S   HC   _H8_    74     1.09496   108.69833    68.51842
   91    89 S   CT   _C26    75     1.54980   115.75035   -54.21087
   92    91 S   HC   _H9_    76     1.09494   110.04992    63.78364
   93    89 S   OH   _O35    95     1.43324   108.93443  -175.23836
   94    93 S   HO   _H48    96     0.97187   107.75599   -80.05905
   95    91 S   CT   _C27    77     1.55978   114.66373  -173.99071
   96    95 S   HC   _H10    78     1.09940   107.45327    66.28067
   97    91 S   OH   _O34    93     1.43344   109.28402   -53.46522
   98    97 S   HO   _H47    94     0.97114   108.15014    68.98417
   99    95 S   CT   _C28    79     1.54109   109.51693  -179.59218
  100    99 S   HC   _H37    80     1.09441   111.54519    62.18584
  101    99 S   HC   _H38    81     1.09522   111.11162   -57.79322
  102    99 S   HC   _H39    82     1.09357   111.66629  -176.43916
  103    95 S   CT   _C29    83     1.55763   113.89607   -52.63063
  104   103 S   HC   _H40    84     1.09657   107.91089    58.59678
  105   103 S   CT   _C30    85     1.53124   113.78920   -60.48535
  106   105 S   HC   _H41    86     1.09435   111.77313   -63.29574
  107   105 S   HC   _H42    87     1.09576   110.38740   177.15834
  108   105 S   HC   _H43    88     1.09366   111.61903    58.13275
  109   103 S   CT   _C31    89     1.53373   112.18428   174.44974
  110   109 S   HC   _H44    90     1.09435   112.06005    71.10180
  111   109 S   HC   _H45    91     1.09577   110.32875  -169.43942
  112   109 S   HC   _H46    92     1.09488   110.94844   -50.31954
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  23   2   1   1  14   5  13   6   5   8   4   8   5   4  11   4
   3  14  20   9   5   2   1   1  12   6   5  15   5   4  21  19
   9   9   3   2   1  11   6   5   6   3   8   4   3   2   1   1
  11   4  13   8   7   3   2   1  11   6  15   7   3   1  17   9
   3   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    78    39    40    41    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    57    73    78    79    80    39    40    41    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    78    39    40    41    53  
   42    43    44    50    39  
   40    41    53    42    47    50    51    64    73    74    78    79    80  
   41    50    73    78    79    80  
   50    73    78    79    80  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    57    73    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    59    60    64    73    74    78    53    54    55    56  
   52    57    58    59    60    61    62    63    64    65    70    73    74    78    79    80    53    54    55    56  
   57    58    59    60    64    73    74    78    53  
   54    55    56    57    73  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    81    73    74    78    66  
   59    60    61    62    63    73  
   60    61    62    63    73  
   61    62    63    64    65    70    75    81    82    83    73    66    67    68    69  
   62    63    64    81    66  
   63    64    81    66  
   64    65    70    71    72    75    76    77    81    82    83    84    85    89    73    74    78    66    67    68    69  
   65    70    71    72    75    76    77    81    82    83    73    74    78    79    80    66    67    68    69  
   70    71    72    75    81    73    74    78    66  
   67    68    69    70    73    75    81    82    83  
   68    69    81  
   69    81  
   81  
   71    72    75    76    77    81    82    83    73    74    78  
   72    75    76    77    81    73  
   75    76    77    81    73  
   74    78    79    80    75    81  
   78    79    80  
   76    77    81    82    83    84    85    89  
   77    81    82    83  
   81    82    83  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89    90    91    93  
   83    84    85    89  
   84    85    86    87    88    89    90    91    92    95    97    93    94  
   85    86    87    88    89    90    91    93  
   86    87    88    89    90    91    93  
   87    88    89  
   88    89  
   89  
   90    91    92    95    96    99   103    97    98    93    94  
   91    92    95    97    93    94  
   92    95    96    99   100   101   102   103   104   105   109    97    98    93    94  
   95    96    99   103    97    98    93  
   94    95    97  
    0  
   96    99   100   101   102   103   104   105   106   107   108   109   110   111   112    97    98  
   99   100   101   102   103   104   105   109    97  
   98    99   103  
    0  
  100   101   102   103   104   105   109  
  101   102   103  
  102   103  
  103  
  104   105   106   107   108   109   110   111   112  
  105   106   107   108   109   110   111   112  
  106   107   108   109   110   111   112  
  107   108   109  
  108   109  
  109  
  110   111   112  
  111   112  
  112  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   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    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    73   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   268.000  1.529
   63    81   268.000  1.529
   63    66   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    73   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    89   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    90   340.000  1.090
   89    91   268.000  1.529
   89    93   320.000  1.410
   91    92   340.000  1.090
   91    95   268.000  1.529
   91    97   320.000  1.410
   95    96   340.000  1.090
   95    99   268.000  1.529
   95   103   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
  103   104   340.000  1.090
  103   105   268.000  1.529
  103   109   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   97    98   553.000  0.945
   93    94   553.000  0.945
   73    74   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    78    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    73    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   51    73    64    58.35000  112.70000
   51    73    74    37.50000  110.70000
   51    73    78    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    58.35000  112.70000
   60    63    81    58.35000  112.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    70    58.35000  112.70000
   63    64    73    58.35000  112.70000
   63    81    75    58.35000  112.70000
   63    81    82    37.50000  110.70000
   63    81    83    58.35000  112.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    75    58.35000  112.70000
   64    73    74    37.50000  110.70000
   64    73    78    58.35000  112.70000
   70    64    65    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    81    58.35000  112.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    58.35000  112.70000
   77    75    76    33.00000  107.80000
   81    63    64    58.35000  112.70000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    83    84    37.50000  110.70000
   81    83    85    58.35000  112.70000
   81    83    89    58.35000  112.70000
   83    81    82    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    87    37.50000  110.70000
   83    85    88    37.50000  110.70000
   83    89    90    37.50000  110.70000
   83    89    91    58.35000  112.70000
   83    89    93    50.00000  109.50000
   85    83    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    83    84    37.50000  110.70000
   89    83    85    58.35000  112.70000
   89    91    92    37.50000  110.70000
   89    91    95    58.35000  112.70000
   89    91    97    50.00000  109.50000
   89    93    94    55.00000  108.50000
   91    89    90    37.50000  110.70000
   91    95    96    37.50000  110.70000
   91    95    99    58.35000  112.70000
   91    95   103    58.35000  112.70000
   91    97    98    55.00000  108.50000
   95    91    92    37.50000  110.70000
   95    99   100    37.50000  110.70000
   95    99   101    37.50000  110.70000
   95    99   102    37.50000  110.70000
   95   103   104    37.50000  110.70000
   95   103   105    58.35000  112.70000
   95   103   109    58.35000  112.70000
   99    95    96    37.50000  110.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
  103    95    96    37.50000  110.70000
  103    95    99    58.35000  112.70000
  103   105   106    37.50000  110.70000
  103   105   107    37.50000  110.70000
  103   105   108    37.50000  110.70000
  103   109   110    37.50000  110.70000
  103   109   111    37.50000  110.70000
  103   109   112    37.50000  110.70000
  105   103   104    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   103   104    37.50000  110.70000
  109   103   105    58.35000  112.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   97    91    92    35.00000  109.50000
   97    91    95    50.00000  109.50000
   93    89    90    35.00000  109.50000
   93    89    91    50.00000  109.50000
   73    51    52    37.50000  110.70000
   73    51    57    58.35000  112.70000
   73    64    65    37.50000  110.70000
   73    64    70    58.35000  112.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    39    58.35000  112.70000
   78    73    74    37.50000  110.70000
   78    39    40    37.50000  110.70000
   78    39    41    37.50000  110.70000
   80    78    79    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    78    79    37.50000  110.70000
   39    78    80    37.50000  110.70000
   41    39    40    33.00000  107.80000
   66    63    64    58.35000  112.70000
   66    63    81    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
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   82    81    83    84   0.15000  1.0 3.0
   82    81    83    85   0.15000  1.0 3.0
   82    81    83    89   0.15000  1.0 3.0
   83    89    91    92   0.15000  1.0 3.0
   83    89    91    95   0.56750  1.0 1.0
   83    89    91    95  -0.07550 -1.0 2.0
   83    89    91    95   0.20000  1.0 3.0
   83    89    91    97   0.86500  1.0 1.0
   83    89    91    97  -0.17500 -1.0 2.0
   83    89    91    97   0.20800  1.0 3.0
   83    89    93    94  -0.11600  1.0 1.0
   83    89    93    94  -0.09450 -1.0 2.0
   83    89    93    94   0.21250  1.0 3.0
   84    83    85    86   0.15000  1.0 3.0
   84    83    85    87   0.15000  1.0 3.0
   84    83    85    88   0.15000  1.0 3.0
   84    83    89    90   0.15000  1.0 3.0
   84    83    89    91   0.15000  1.0 3.0
   84    83    89    93   0.23400  1.0 3.0
   85    83    89    90   0.15000  1.0 3.0
   85    83    89    91   0.56750  1.0 1.0
   85    83    89    91  -0.07550 -1.0 2.0
   85    83    89    91   0.20000  1.0 3.0
   85    83    89    93   0.86500  1.0 1.0
   85    83    89    93  -0.17500 -1.0 2.0
   85    83    89    93   0.20800  1.0 3.0
   89    83    85    86   0.15000  1.0 3.0
   89    83    85    87   0.15000  1.0 3.0
   89    83    85    88   0.15000  1.0 3.0
   89    91    95    96   0.15000  1.0 3.0
   89    91    95    99   0.56750  1.0 1.0
   89    91    95    99  -0.07550 -1.0 2.0
   89    91    95    99   0.20000  1.0 3.0
   89    91    95   103   0.56750  1.0 1.0
   89    91    95   103  -0.07550 -1.0 2.0
   89    91    95   103   0.20000  1.0 3.0
   89    91    97    98  -0.11600  1.0 1.0
   89    91    97    98  -0.09450 -1.0 2.0
   89    91    97    98   0.21250  1.0 3.0
   90    89    91    92   0.15000  1.0 3.0
   90    89    91    95   0.15000  1.0 3.0
   90    89    91    97   0.23400  1.0 3.0
   90    89    93    94   0.19450  1.0 3.0
   91    89    93    94  -0.11600  1.0 1.0
   91    89    93    94  -0.09450 -1.0 2.0
   91    89    93    94   0.21250  1.0 3.0
   91    95    99   100   0.15000  1.0 3.0
   91    95    99   101   0.15000  1.0 3.0
   91    95    99   102   0.15000  1.0 3.0
   91    95   103   104   0.15000  1.0 3.0
   91    95   103   105   0.56750  1.0 1.0
   91    95   103   105  -0.07550 -1.0 2.0
   91    95   103   105   0.20000  1.0 3.0
   91    95   103   109   0.56750  1.0 1.0
   91    95   103   109  -0.07550 -1.0 2.0
   91    95   103   109   0.20000  1.0 3.0
   92    91    95    96   0.15000  1.0 3.0
   92    91    95    99   0.15000  1.0 3.0
   92    91    95   103   0.15000  1.0 3.0
   92    91    97    98   0.19450  1.0 3.0
   95    91    97    98  -0.11600  1.0 1.0
   95    91    97    98  -0.09450 -1.0 2.0
   95    91    97    98   0.21250  1.0 3.0
   95   103   105   106   0.15000  1.0 3.0
   95   103   105   107   0.15000  1.0 3.0
   95   103   105   108   0.15000  1.0 3.0
   95   103   109   110   0.15000  1.0 3.0
   95   103   109   111   0.15000  1.0 3.0
   95   103   109   112   0.15000  1.0 3.0
   96    95    99   100   0.15000  1.0 3.0
   96    95    99   101   0.15000  1.0 3.0
   96    95    99   102   0.15000  1.0 3.0
   96    95   103   104   0.15000  1.0 3.0
   96    95   103   105   0.15000  1.0 3.0
   96    95   103   109   0.15000  1.0 3.0
   99    95   103   104   0.15000  1.0 3.0
   99    95   103   105   0.56750  1.0 1.0
   99    95   103   105  -0.07550 -1.0 2.0
   99    95   103   105   0.20000  1.0 3.0
   99    95   103   109   0.56750  1.0 1.0
   99    95   103   109  -0.07550 -1.0 2.0
   99    95   103   109   0.20000  1.0 3.0
  103    95    99   100   0.15000  1.0 3.0
  103    95    99   101   0.15000  1.0 3.0
  103    95    99   102   0.15000  1.0 3.0
  104   103   105   106   0.15000  1.0 3.0
  104   103   105   107   0.15000  1.0 3.0
  104   103   105   108   0.15000  1.0 3.0
  104   103   109   110   0.15000  1.0 3.0
  104   103   109   111   0.15000  1.0 3.0
  104   103   109   112   0.15000  1.0 3.0
  105   103   109   110   0.15000  1.0 3.0
  105   103   109   111   0.15000  1.0 3.0
  105   103   109   112   0.15000  1.0 3.0
  109   103   105   106   0.15000  1.0 3.0
  109   103   105   107   0.15000  1.0 3.0
  109   103   105   108   0.15000  1.0 3.0
   97    91    95    96   0.23400  1.0 3.0
   97    91    95    99   0.86500  1.0 1.0
   97    91    95    99  -0.17500 -1.0 2.0
   97    91    95    99   0.20800  1.0 3.0
   97    91    95   103   0.86500  1.0 1.0
   97    91    95   103  -0.17500 -1.0 2.0
   97    91    95   103   0.20800  1.0 3.0
   93    89    91    92   0.23400  1.0 3.0
   93    89    91    95   0.86500  1.0 1.0
   93    89    91    95  -0.17500 -1.0 2.0
   93    89    91    95   0.20800  1.0 3.0
   93    89    91    97   3.75450  1.0 1.0
   73    51    57    58   0.15000  1.0 3.0
   73    51    57    59   0.15000  1.0 3.0
   73    51   -57    60   0.56750  1.0 1.0
   73    51   -57    60  -0.07550 -1.0 2.0
   73    51   -57    60   0.20000  1.0 3.0
   73    64    70    71   0.15000  1.0 3.0
   73    64    70    72   0.15000  1.0 3.0
   73    64    70    75   0.56750  1.0 1.0
   73    64    70    75  -0.07550 -1.0 2.0
   73    64    70    75   0.20000  1.0 3.0
   73    78   -39    33   0.56750  1.0 1.0
   73    78   -39    33  -0.07550 -1.0 2.0
   73    78   -39    33   0.20000  1.0 3.0
   73    78    39    40   0.15000  1.0 3.0
   73    78    39    41   0.15000  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    39   0.15000  1.0 3.0
   79    78    39    33   0.15000  1.0 3.0
   79    78    39    40   0.15000  1.0 3.0
   79    78    39    41   0.15000  1.0 3.0
   80    78    39    33   0.15000  1.0 3.0
   80    78    39    40   0.15000  1.0 3.0
   80    78    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33   -50    51   0.56750  1.0 1.0
   39    33   -50    51  -0.07550 -1.0 2.0
   39    33   -50    51   0.20000  1.0 3.0
   39    33    50    53   0.56750  1.0 1.0
   39    33    50    53  -0.07550 -1.0 2.0
   39    33    50    53   0.20000  1.0 3.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    70   0.56750  1.0 1.0
   66    63    64    70  -0.07550 -1.0 2.0
   66    63    64    70   0.20000  1.0 3.0
   66    63    64    73   0.56750  1.0 1.0
   66    63    64    73  -0.07550 -1.0 2.0
   66    63    64    73   0.20000  1.0 3.0
   66    63    81    75   0.56750  1.0 1.0
   66    63    81    75  -0.07550 -1.0 2.0
   66    63    81    75   0.20000  1.0 3.0
   66    63    81    82   0.15000  1.0 3.0
   66    63    81    83   0.56750  1.0 1.0
   66    63    81    83  -0.07550 -1.0 2.0
   66    63    81    83   0.20000  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    73   0.56750  1.0 1.0
   53    50    51    73  -0.07550 -1.0 2.0
   53    50    51    73   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
END
