* LIGAND DATABASE FILE (OPLS2005)
*
001     120   121    218    330     640
    1     0 S   NP   _N1_     1    31.16959    87.42452   -16.54223
    2     1 S   H    _HN1     2     1.02830    26.94286    80.51372
    3     1 S   H    _H1_     3     1.02780    87.79032   -58.45273
    4     1 S   H    _H2_     4     1.02956   131.97119    54.43151
    5     1 S   CT   _CA1     5     1.50122   103.83224  -170.79965
    6     5 S   HC   _HA1     6     1.09573   105.22807    31.90304
    7     5 S   CO3  _C1_     7     1.53836   112.33774   -88.30978
    8     7 S   O2Z  _O11     8     1.26361   115.02512   -43.80810
    9     7 S   O2Z  _O12     9     1.26235   114.95536   135.27568
   10     5 S   CT   _CB1    10     1.53089   107.39983   149.84032
   11    10 S   HC   HB11    11     1.09818   109.42245   -49.79414
   12    10 S   HC   HB12    12     1.09822   110.41566    66.82508
   13    10 S   CT   _CG1    13     1.52947   112.58751  -170.88066
   14    13 S   HC   HG11    14     1.09503   110.39730   -61.42781
   15    13 S   HC   HG12    15     1.09649   110.07946    57.62777
   16    13 S   C    _CD1    16     1.51789   112.30522   177.73947
   17    16 S   O    _OE1    17     1.22726   123.23260   -10.69800
   18    16 S   N    _N2_    18     1.38549   111.57139   170.35865
   19    18 S   H    _HN2    19     1.01587   119.03158     0.64619
   20    18 S   CT1  _CA2    20     1.46247   123.61472   179.59895
   21    20 S   HC   _HA2    21     1.09730   109.41385    -5.46343
   22    20 S   C    _C2_    22     1.53472   108.55711  -120.94494
   23    22 S   O    _O2_    23     1.23043   122.44003  -149.98258
   24    20 S   CT   _CB2    32     1.53297   111.07823   116.66519
   25    24 S   HC   HB21    33     1.09491   109.50590    54.61260
   26    24 S   HC   HB22    34     1.09518   110.64160   172.98183
   27    22 S   N    _N3_    24     1.38399   113.58274    37.71744
   28    27 S   H    _HN3    25     1.01623   119.45243    -3.76015
   29    24 S   S    _SG2    35     1.83449   111.01806   -68.29382
   30    27 S   CT   _CA3    26     1.45274   123.12274   176.94540
   31    30 S   HC   HA31    27     1.09552   107.53827   -63.67828
   32    30 S   HC   HA32    28     1.09560   107.93182    52.72117
   33    29 S   CT   _C28    36     1.87036   101.53270   144.52217
   34    33 S   OM   _O36    37     1.31444   110.29568    54.78751
   35    30 S   CO3  _C3_    29     1.52924   114.16160   174.71257
   36    35 S   O2Z  _O31    30     1.26361   116.07999    -0.21580
   37    35 S   O2Z  _O32    31     1.26434   114.40126   179.82754
   38    33 S   CM   _C25    38     1.54664   106.03311   177.98724
   39    38 S   C    _C26    39     1.51611   106.09314    93.34089
   40    39 S   O    _O39    40     1.22062   126.89958  -169.21776
   41    38 S   CMA  _C24    57     1.36318   129.80540   -86.15090
   42    41 S   OM   _O35    58     1.26438   131.54035    -1.01856
   43    39 S   N    _N4_    41     1.38654   106.89346     9.00263
   44    41 S   CM   _C23    59     1.46444   120.97770   178.18102
   45    44 S   HC   _H29    60     1.08936   115.69553   103.41188
   46    33 S   CT   _C27    42     1.56128   110.10644   -71.34839
   47    46 S   HC   _H9_    43     1.09718   112.00430    28.24120
   48    43 S   CT   _C32    53     1.45093   124.03259  -174.56545
   49    48 S   HC   _H34    54     1.09215   108.98060   132.53944
   50    48 S   HC   _H35    55     1.09327   110.35055    12.45196
   51    48 S   HC   _H36    56     1.09219   109.54011  -107.31116
   52    44 S   CM   _C22    61     1.34517   123.98142   -78.71541
   53    52 S   HC   _H28    62     1.08771   119.39116     1.10056
   54    46 S   CT   _C29    44     1.55495   117.14497   154.38054
   55    54 S   HC   _H30    45     1.09734   110.98726    35.43408
   56    54 S   HC   _H31    46     1.09687   109.61208   151.06300
   57    52 S   CM   _C21    63     1.44602   123.11972  -179.03673
   58    57 S   HC   _H27    64     1.08755   116.91030     0.03426
   59    54 S   CT   _C30    47     1.53070   112.80186   -89.69263
   60    59 S   HC   _H32    48     1.09749   109.08309   -55.38506
   61    59 S   HC   _H33    49     1.09477   110.67897    62.15258
   62    57 S   CM   _C20    65     1.34156   122.95636  -179.87180
   63    62 S   HC   _H26    66     1.08785   119.86453    -0.00000
   64    59 S   CO3  _C31    50     1.53288   115.37321  -175.99141
   65    64 S   O2Z  _O38    51     1.26600   114.03974   176.93165
   66    64 S   O2Z  _O37    52     1.26144   116.85584    -2.80379
   67    62 S   CM   _C19    67     1.44678   123.01340   179.95154
   68    67 S   HC   _H25    68     1.08780   116.99460    -0.08393
   69    67 S   CM   _C18    69     1.34170   122.98202   179.89913
   70    69 S   HC   _H24    70     1.08786   119.90291    -0.02798
   71    69 S   CM   _C17    71     1.44808   123.01613  -179.92598
   72    71 S   HC   _H23    72     1.08634   116.36983    -0.12195
   73    71 S   CM   _C16    73     1.34327   122.78068   179.75934
   74    73 S   HC   _H22    74     1.09011   117.87667     0.15451
   75    73 S   CM   _C14    75     1.46524   126.69218  -179.51181
   76    75 S   CM   _C13    76     1.35043   118.36409   179.92867
   77    76 S   HC   _H18    77     1.09135   118.03779    -0.71464
   78    75 S   CT   _C15   117     1.50628   117.58811     1.49985
   79    78 S   HC   _H19   118     1.09599   110.52275    56.14112
   80    78 S   HC   _H20   119     1.09164   113.75659   175.27387
   81    78 S   HC   _H21   120     1.09547   110.48544   -64.27771
   82    76 S   CT   _C11    78     1.51942   128.53847  -179.51302
   83    82 S   HC   _H8_    79     1.09343   109.45080   -14.83081
   84    82 S   CT   _C12    80     1.53327   107.91460  -131.09072
   85    84 S   HC   _H15    81     1.09584   111.45110   -69.56452
   86    84 S   HC   _H16    82     1.09425   111.36675   169.66039
   87    84 S   HC   _H17    83     1.09634   111.06007    50.75560
   88    82 S   CT   _C10    84     1.55684   110.13725   105.07330
   89    88 S   HC   _H7_    85     1.09958   108.59720    52.69233
   90    88 S   CT   _C33    86     1.55516   114.07844   173.25738
   91    90 S   HC   _H37    87     1.09632   108.66012   -59.53288
   92    88 S   OS   _O34    96     1.43907   107.35351   -66.75146
   93    90 S   CT   _C34    88     1.53273   113.12134    60.61630
   94    93 S   HC   _H38    89     1.09500   111.63449    59.55878
   95    93 S   HC   _H39    90     1.09565   110.55104   179.40258
   96    93 S   HC   _H40    91     1.09370   111.53781   -61.56452
   97    90 S   CT   _C35    92     1.53361   111.38949  -176.45216
   98    97 S   HC   _H41    93     1.09483   111.80459   -67.00587
   99    97 S   HC   _H42    94     1.09557   110.52466   173.22121
  100    97 S   HC   _H43    95     1.09493   110.84428    54.09224
  101    92 S   CO   _C9_    97     1.43267   114.22147   124.42499
  102   101 S   HC   _H6_    98     1.09656   109.23574    52.03939
  103   101 S   CT   _C8_    99     1.53218   106.65015   171.14537
  104   103 S   HC   _H13   100     1.09771   109.25808    56.40732
  105   103 S   HC   _H14   101     1.09659   109.26025   -60.25645
  106   103 S   CT   _C7_   102     1.52481   111.10314   176.99834
  107   106 S   HC   _H5_   103     1.09549   111.02582  -174.14549
  108   106 S   CT   _C6_   104     1.53289   109.91707   -52.01684
  109   108 S   HC   _H4_   105     1.09770   108.29556   -67.62489
  110   106 S   OH   _O40   115     1.42819   109.13252    68.14296
  111   110 S   HO   _H44   116     0.97263   107.56184    62.06651
  112   108 S   CT   _C5_   106     1.53389   110.71016    51.96208
  113   112 S   HC   _H3_   107     1.09762   110.89277    64.95100
  114   108 S   OH   _O41   113     1.42322   110.59474   174.40388
  115   114 S   HO   _H45   114     0.97221   107.68362    52.26537
  116   101 S   OS   _O33   108     1.42879   111.57751   -68.95027
  117   112 S   CT   _C4_   109     1.52551   111.69962  -174.94964
  118   117 S   HC   _H10   110     1.09563   110.95405    59.19995
  119   117 S   HC   _H11   111     1.09391   111.67874   -62.26053
  120   117 S   HC   _H12   112     1.09559   110.28652   177.05250
  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   9   5   4   3
  15   7   2   1   1  12  12   4   8   3  10   6   3  12   5   4
   2   1   1   6   3   8   5   4   6   3   5   4   3   6   3   2
   1   1   6   3   6   3   6   3   9   3  10  15   5   4   2   1
   1  13   8   7   3   2   1  16   6  11   9  10   7   3   2   1
   3   2   1   1  12   6  11   6   5  11   6  12   7   3   1   8
   6   3   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    46    47    54    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    47    54    55    56    59    48    41    42    44  
   38    39    43    46    47    54    41  
   36    37  
   37  
    0  
   39    40    43    46    47    54    48    41    42    44    45    52  
   40    43    46    47    54    48    49    50    51    41    42    44  
   43    46    48    41  
   42    44    45    52    53    57    43    46  
   44    45    52  
   46    47    54    55    56    59    48    49    50    51  
   45    52    53    57    58    62  
   52    53    57  
   47    54    55    56    59    60    61    64    48    49    50    51  
   54    55    56    59    48  
   49    50    51    54  
   50    51  
   51  
    0  
   53    57    58    62    63    67  
   57    58    62  
   55    56    59    60    61    64    65    66  
   56    59    60    61    64  
   59    60    61    64  
   58    62    63    67    68    69  
   62    63    67  
   60    61    64    65    66  
   61    64    65    66  
   64    65    66  
   63    67    68    69    70    71  
   67    68    69  
   65    66  
   66  
    0  
   68    69    70    71    72    73  
   69    70    71  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75    76    78  
   73    74    75  
   74    75    76    77    82    78    79    80    81  
   75    76    78  
   76    77    82    83    84    88    78    79    80    81  
   77    82    83    84    85    86    87    88    89    90    92    78    79    80    81  
   82    83    84    88    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89    90    91    93    97    92   101  
   84    85    86    87    88    89    90    92  
   85    86    87    88    89    90    92  
   86    87    88  
   87    88  
   88  
   89    90    91    93    94    95    96    97    98    99   100    92   101   102   103   116  
   90    91    93    97    92   101  
   91    93    94    95    96    97    98    99   100    92   101  
   93    94    95    96    97    98    99   100    92  
  101   102   103   104   105   106   112   116    93    97  
   94    95    96    97    98    99   100  
   95    96    97  
   96    97  
   97  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104   105   106   107   108   112   113   116   117   110  
  103   104   105   106   112   116  
  104   105   106   107   108   109   112   116   114   110   111  
  105   106   107   108   116   110  
  106   107   108   116   110  
  107   108   109   112   113   116   117   114   115   110   111  
  108   109   112   114   110   111  
  109   112   113   116   117   118   119   120   114   115   110   111  
  112   113   116   117   114   115   110  
  111   112   114  
    0  
  113   116   117   118   119   120   114   115  
  116   117   118   119   120   114  
  115   116   117  
    0  
  117   118   119   120  
  118   119   120  
  119   120  
  120  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.300000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  111   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  112   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  114   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  115   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  116   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  117   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  119   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  120   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   570.000  1.307
   33    38   317.000  1.510
   33    46   268.000  1.529
   38    39   410.000  1.444
   38    41   465.000  1.376
   39    40   570.000  1.229
   39    43   490.000  1.335
   43    46   337.000  1.449
   43    48   337.000  1.449
   46    47   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   317.000  1.522
   64    65   656.000  1.250
   64    66   656.000  1.250
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   41    42   745.000  1.250
   41    44   465.000  1.376
   44    45   340.000  1.080
   44    52   549.000  1.340
   52    53   340.000  1.080
   52    57   380.000  1.444
   57    58   340.000  1.080
   57    62   549.000  1.340
   62    63   340.000  1.080
   62    67   380.000  1.444
   67    68   340.000  1.080
   67    69   549.000  1.340
   69    70   340.000  1.080
   69    71   380.000  1.444
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   340.000  1.080
   73    75   380.000  1.444
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    84   268.000  1.529
   82    88   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   268.000  1.529
   88    92   320.000  1.410
   90    91   340.000  1.090
   90    93   268.000  1.529
   90    97   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   92   101   320.000  1.380
  101   102   340.000  1.090
  101   103   250.000  1.527
  101   116   320.000  1.380
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  106   107   340.000  1.090
  106   108   268.000  1.529
  106   110   320.000  1.410
  108   109   340.000  1.090
  108   112   268.000  1.529
  108   114   320.000  1.410
  112   113   340.000  1.090
  112   116   320.000  1.410
  112   117   268.000  1.529
  117   118   340.000  1.090
  117   119   340.000  1.090
  117   120   340.000  1.090
  114   115   553.000  0.945
  110   111   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    70.00000  119.70000
   33    38    41    70.00000  124.00000
   33    46    43    70.00000  110.72300
   33    46    47    37.50000  110.70000
   33    46    54    58.35000  112.70000
   38    33    34    85.00000  110.90400
   38    39    40    80.00000  125.30000
   38    39    43    80.00000  111.56200
   38    41    42    65.00000  137.10300
   38    41    44    70.00000  123.01800
   39    43    46    50.00000  121.90000
   39    43    48    50.00000  121.90000
   43    39    40    80.00000  122.90000
   43    46    47    35.00000  109.50000
   43    46    54    70.00000  110.72300
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    51    35.00000  109.50000
   46    33    34    50.00000  109.50000
   46    33    38    70.00000  112.02700
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    59    58.35000  112.70000
   54    46    47    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    64    70.00000  109.69300
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    64    65    70.00000  117.00000
   59    64    66    70.00000  117.00000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   66    64    65    80.00000  126.00000
   48    43    46    50.00000  118.00000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   41    38    39    60.00000  120.04000
   41    44    45    40.00000  120.50800
   41    44    52    70.00000  117.34000
   44    41    42    65.00000  137.10300
   44    52    53    35.00000  120.00000
   44    52    57    70.00000  123.01800
   52    44    45    35.00000  120.00000
   52    57    58    35.00000  120.00000
   52    57    62    70.00000  123.01800
   57    52    53    35.00000  120.00000
   57    62    63    35.00000  120.00000
   57    62    67    70.00000  123.01800
   62    57    58    35.00000  120.00000
   62    67    68    35.00000  120.00000
   62    67    69    70.00000  123.01800
   67    62    63    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    70.00000  123.01800
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    70.00000  123.01800
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    70.00000  123.01800
   73    71    72    35.00000  120.00000
   73    75    76    70.00000  123.01800
   73    75    78    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    82    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    84    70.00000  112.02700
   76    82    88    70.00000  112.02700
   82    76    77    35.00000  117.00000
   82    84    85    37.50000  110.70000
   82    84    86    37.50000  110.70000
   82    84    87    37.50000  110.70000
   82    88    89    37.50000  110.70000
   82    88    90    58.35000  112.70000
   82    88    92    50.00000  109.50000
   84    82    83    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    82    83    37.50000  110.70000
   88    82    84    58.35000  112.70000
   88    90    91    37.50000  110.70000
   88    90    93    58.35000  112.70000
   88    90    97    58.35000  112.70000
   88    92   101    60.00000  109.50000
   90    88    89    37.50000  110.70000
   90    93    94    37.50000  110.70000
   90    93    95    37.50000  110.70000
   90    93    96    37.50000  110.70000
   90    97    98    37.50000  110.70000
   90    97    99    37.50000  110.70000
   90    97   100    37.50000  110.70000
   93    90    91    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    90    91    37.50000  110.70000
   97    90    93    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   92    88    89    35.00000  109.50000
   92    88    90    50.00000  109.50000
   92   101   102    35.00000  109.50000
   92   101   103    90.00000  108.56700
   92   101   116    92.60000  111.55000
  101   103   104    45.00000  108.72000
  101   103   105    45.00000  108.72000
  101   103   106    75.00000  109.43000
  101   116   112    60.00000  109.50000
  103   101   102    45.00000  112.01100
  103   106   107    37.50000  110.70000
  103   106   108    58.35000  112.70000
  103   106   110    50.00000  109.50000
  105   103   104    33.00000  107.80000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  106   108   109    37.50000  110.70000
  106   108   112    58.35000  112.70000
  106   108   114    50.00000  109.50000
  106   110   111    55.00000  108.50000
  108   106   107    37.50000  110.70000
  108   112   113    37.50000  110.70000
  108   112   116    50.00000  109.50000
  108   112   117    58.35000  112.70000
  108   114   115    55.00000  108.50000
  112   108   109    37.50000  110.70000
  112   117   118    37.50000  110.70000
  112   117   119    37.50000  110.70000
  112   117   120    37.50000  110.70000
  116   101   102    35.00000  109.50000
  116   101   103    90.00000  108.56700
  116   112   113    35.00000  109.50000
  117   112   113    37.50000  110.70000
  117   112   116    50.00000  109.50000
  119   117   118    33.00000  107.80000
  120   117   118    33.00000  107.80000
  120   117   119    33.00000  107.80000
  114   108   109    35.00000  109.50000
  114   108   112    50.00000  109.50000
  110   106   107    35.00000  109.50000
  110   106   108    50.00000  109.50000
   78    75    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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
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  103   106  -108   112   0.56750  1.0 1.0
  103   106  -108   112  -0.07550 -1.0 2.0
  103   106  -108   112   0.20000  1.0 3.0
  103   106   108   114   0.86500  1.0 1.0
  103   106   108   114  -0.17500 -1.0 2.0
  103   106   108   114   0.20800  1.0 3.0
  103   106   110   111  -0.11600  1.0 1.0
  103   106   110   111  -0.09450 -1.0 2.0
  103   106   110   111   0.21250  1.0 3.0
  104   103   106   107   0.15000  1.0 3.0
  104   103   106   108   0.15000  1.0 3.0
  104   103   106   110   0.23400  1.0 3.0
  105   103   106   107   0.15000  1.0 3.0
  105   103   106   108   0.15000  1.0 3.0
  105   103   106   110   0.23400  1.0 3.0
  106   108   112   113   0.15000  1.0 3.0
  106   108   112   116   0.62750  1.0 1.0
  106   108   112   116  -0.30950 -1.0 2.0
  106   108   112   116   0.27300  1.0 3.0
  106   108   112   117   0.56750  1.0 1.0
  106   108   112   117  -0.07550 -1.0 2.0
  106   108   112   117   0.20000  1.0 3.0
  106   108   114   115  -0.11600  1.0 1.0
  106   108   114   115  -0.09450 -1.0 2.0
  106   108   114   115   0.21250  1.0 3.0
  107   106   108   109   0.15000  1.0 3.0
  107   106   108   112   0.15000  1.0 3.0
  107   106   108   114   0.23400  1.0 3.0
  107   106   110   111   0.19450  1.0 3.0
  108   106   110   111  -0.11600  1.0 1.0
  108   106   110   111  -0.09450 -1.0 2.0
  108   106   110   111   0.21250  1.0 3.0
  108   112  -116   101   0.06250  1.0 1.0
  108   112  -116   101  -0.01100 -1.0 2.0
  108   112  -116   101   0.28050  1.0 3.0
  108   112   117   118   0.15000  1.0 3.0
  108   112   117   119   0.15000  1.0 3.0
  108   112   117   120   0.15000  1.0 3.0
  109   108   112   113   0.15000  1.0 3.0
  109   108   112   116   0.23400  1.0 3.0
  109   108   112   117   0.15000  1.0 3.0
  109   108   114   115   0.19450  1.0 3.0
  112   108   114   115  -0.11600  1.0 1.0
  112   108   114   115  -0.09450 -1.0 2.0
  112   108   114   115   0.21250  1.0 3.0
  113   112   116   101   0.37050  1.0 3.0
  113   112   117   118   0.15000  1.0 3.0
  113   112   117   119   0.15000  1.0 3.0
  113   112   117   120   0.15000  1.0 3.0
  116   101   103   104   0.23400  1.0 3.0
  116   101   103   105   0.23400  1.0 3.0
  116   101  -103   106   0.62750  1.0 1.0
  116   101  -103   106  -0.30950 -1.0 2.0
  116   101  -103   106   0.27300  1.0 3.0
  116   112   117   118   0.23400  1.0 3.0
  116   112   117   119   0.23400  1.0 3.0
  116   112   117   120   0.23400  1.0 3.0
  117   112   116   101   0.06250  1.0 1.0
  117   112   116   101  -0.01100 -1.0 2.0
  117   112   116   101   0.28050  1.0 3.0
  114   108   112   113   0.23400  1.0 3.0
  114   108   112   116   3.69350  1.0 1.0
  114   108   112   116  -1.82950 -1.0 2.0
  114   108   112   117   0.86500  1.0 1.0
  114   108   112   117  -0.17500 -1.0 2.0
  114   108   112   117   0.20800  1.0 3.0
  110   106   108   109   0.23400  1.0 3.0
  110   106   108   112   0.86500  1.0 1.0
  110   106   108   112  -0.17500 -1.0 2.0
  110   106   108   112   0.20800  1.0 3.0
  110   106   108   114   3.75450  1.0 1.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    82   7.00000 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   38    43    39    40  10.50000 -1.0 2.0
   48    39    43    46   1.00000 -1.0 2.0
   65    59    64    66  10.50000 -1.0 2.0
   44    42    41    38   1.10000 -1.0 2.0
   41    45    44    52  15.00000 -1.0 2.0
   57    53    52    44  15.00000 -1.0 2.0
   52    58    57    62  15.00000 -1.0 2.0
   67    63    62    57  15.00000 -1.0 2.0
   62    68    67    69  15.00000 -1.0 2.0
   71    70    69    67  15.00000 -1.0 2.0
   69    72    71    73  15.00000 -1.0 2.0
   75    74    73    71  15.00000 -1.0 2.0
   73    78    75    76  15.00000 -1.0 2.0
   82    77    76    75  15.00000 -1.0 2.0
END
