* LIGAND DATABASE FILE (OPLS2005)
*
001     114   117    221    361     671
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02081   104.95472   -32.20988
    3     1 S   H    _H1_     3     1.02103    67.05797    72.10887
    4     1 S   H    _H2_     4     1.02091    45.72150  -133.92321
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C16    36     1.84888    97.30880  -178.13428
   34    33 S   HC   _H3_    37     1.09542   107.22575    35.42505
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C7_    38     1.50556   105.30425   -80.04984
   39    38 S   CMA  _C6_    39     1.35525   124.14495   -91.12142
   40    39 S   OM   _O33    40     1.26679   127.74417  -179.37068
   41    38 S   OH   _O36   113     1.38685   113.65448    90.45108
   42    41 S   HO   _H77   114     0.96052   109.41154   178.37804
   43    39 S   CT   _C20    41     1.58205   119.45787     1.85065
   44    43 S   CM   _C5_    42     1.56377   113.44355   -13.26299
   45    43 S   CT   _C24   105     1.55874   110.79223   105.47414
   46    45 S   HC   _H53   106     1.07859   108.23530    56.65997
   47    45 S   HC   _H54   107     1.07857   108.25042   -63.21368
   48    45 S   HC   _H55   108     1.07791   108.29104   176.68200
   49    43 S   CT   _C25   109     1.55479   108.58679  -135.81121
   50    49 S   HC   _H56   110     1.08014   108.42494   -55.37555
   51    49 S   HC   _H57   111     1.07981   108.42643  -175.31220
   52    49 S   HC   _H58   112     1.07955   108.46478    64.62577
   53    44 S   CM   _C4_    43     1.34547   122.36193   169.11897
   54    53 S   HC   _H39    44     1.08519   120.25254    -3.87318
   55    53 S   CT   _C12    45     1.49304   124.91765   170.79551
   56    55 S   HC   _H42    46     1.09743   107.55771   103.36736
   57    55 S   HC   _H43    47     1.09562   108.82278  -142.71216
   58    55 S   CT   _C17    48     1.54215   115.11547   -19.27697
   59    58 S   HC   _H50    49     1.09811   102.84103   159.16123
   60    58 S   CT   _C21    50     1.58130   111.26907    44.35055
   61    60 S   CO4  _C8_    51     1.56410   112.83303  -166.59792
   62    61 S   O    _O34    52     1.23597   121.05150  -156.15524
   63    33 S   CT   _C15    99     1.55468   117.38532   158.51521
   64    63 S   HC   _H48   100     1.10118   104.45215   170.38828
   65    60 S   CT   _C26   101     1.55036   105.60646    78.60044
   66    65 S   HC   _H59   102     1.08080   108.66839   -60.25439
   67    65 S   HC   _H60   103     1.08107   108.64528   179.71607
   68    65 S   HC   _H61   104     1.08112   108.65402    59.71527
   69    61 S   CT   _C13    53     1.52414   120.23859    29.04710
   70    69 S   HC   _H44    54     1.09341   108.62124    81.15686
   71    69 S   HC   _H45    55     1.09679   108.10638  -163.62791
   72    69 S   CT   _C22    56     1.52534   110.37930   -43.26992
   73    72 S   CT   _C18    57     1.54930   116.04580   173.93214
   74    73 S   HC   _H51    58     1.09708   109.71853   -42.74897
   75    72 S   CT   _C27    95     1.56364   107.50280   -64.03665
   76    75 S   HC   _H62    96     1.07643   107.99590   179.97202
   77    75 S   HC   _H63    97     1.07704   107.98315    59.99691
   78    75 S   HC   _H64    98     1.07693   107.97400   -59.96085
   79    73 S   CT   _C19    59     1.55079   102.81115  -159.71503
   80    79 S   HC   _H52    60     1.09528   112.42289   -99.16651
   81    73 S   CT   _C33    71     1.52636   117.05303    76.78295
   82    79 S   CT   _C14    61     1.54985   106.72495    20.89079
   83    82 S   HC   _H46    62     1.09634   112.23774   132.18125
   84    82 S   HC   _H47    63     1.09628   109.40923  -109.16883
   85    79 S   OH   _O37    69     1.42117   110.39998   140.58939
   86    85 S   HO   _H78    70     0.97081   106.75632  -177.64266
   87    81 S   CO4  _C11    72     1.53476   111.80969   177.99904
   88    87 S   O    _O35    73     1.23125   121.58615  -120.03756
   89    81 S   CT   _C31    89     1.52610   111.63061   -56.74774
   90    89 S   HC   _H74    90     1.09555   110.77411    54.46307
   91    89 S   HC   _H75    91     1.09677   110.81360   172.51355
   92    89 S   HC   _H76    92     1.09463   112.30562   -66.29978
   93    81 S   OH   _O39    93     1.42843   108.11069    60.38890
   94    93 S   HO   _H80    94     0.96862   106.41394  -179.35898
   95    58 S   CT   _C23    64     1.56155   115.15524   -87.95406
   96    87 S   CM   _C9_    74     1.49526   117.49940    60.05190
   97    96 S   HC   _H40    75     1.08188   117.48441    -0.21398
   98    95 S   CT   _C28    65     1.55870   111.64502    57.15203
   99    98 S   HC   _H65    66     1.07901   108.22372    53.80309
  100    98 S   HC   _H66    67     1.07864   108.25335   -66.15740
  101    98 S   HC   _H67    68     1.07848   108.24165   173.74643
  102    96 S   CM   _C10    76     1.34158   120.67788   179.97202
  103   102 S   HC   _H41    77     1.08876   118.85732     0.01978
  104   102 S   CT   _C32    78     1.51338   126.65844   179.86012
  105   104 S   CT   _C29    79     1.53287   109.30032  -120.00129
  106   105 S   HC   _H68    80     1.09663   111.17891   180.00000
  107   105 S   HC   _H69    81     1.09511   111.68512   -58.78665
  108   105 S   HC   _H70    82     1.09607   110.93800    62.19685
  109   104 S   CT   _C30    83     1.53322   115.41590     4.40086
  110   109 S   HC   _H71    84     1.09485   112.04610  -180.00000
  111   109 S   HC   _H72    85     1.09677   111.06967   -58.13971
  112   109 S   HC   _H73    86     1.09606   110.79949    59.34835
  113   104 S   OH   _O38    87     1.43201   106.54134   123.62275
  114   113 S   HO   _H79    88     0.96815   106.15818   179.98022
  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  11  15   5   3   1  15  19   9   3   2   1
   5   2   1   1  10   5  12   5   4  23   8  15  14   6   7   1
   5   2   1   1  14   5   4  21  24  10   8   3   2   1  12   7
  14   9   4   3   2   1  12   5   6   3   2   1   2   1   4   7
   3   3   2   1   1  12   4  10   9   4   3   2   5   3   2   1
   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    63    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    60    63    64    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    53    58    60    61    63    64    65    41    42  
   38    39    44    60    63    64    41  
   36    37  
   37  
    0  
   39    40    43    44    60    63    64    45    49    41    42  
   40    43    44    53    63    45    46    47    48    49    50    51    52    41    42  
   43    44    45    49    41  
   42    43    63  
    0  
   44    53    54    55    60    63    64    45    46    47    48    49    50    51    52  
   53    54    55    56    57    58    60    61    63    64    65    45    46    47    48    49    50    51    52  
   46    47    48    49    50    51    52    53    63  
   47    48    49  
   48    49  
   49  
   50    51    52    53    63  
   51    52  
   52  
    0  
   54    55    56    57    58    59    60    95    63    64  
   55    56    57    58    63  
   56    57    58    59    60    61    72    82    95    98    63    65  
   57    58    59    60    95  
   58    59    60    95  
   59    60    61    62    69    72    73    79    82    83    84    95    98    99   100   101    75    63    64    65    66    67    68  
   60    61    72    82    95    98    63    65  
   61    62    69    70    71    72    82    95    98    63    64    65    66    67    68  
   62    69    70    71    72    73    95    75    63    64    65    66    67    68  
   69    70    71    72    63    65  
   64    65    66    67    68    69    95  
   65  
   66    67    68    69    95  
   67    68  
   68  
    0  
   70    71    72    73    74    79    82    95    98    81    75    76    77    78  
   71    72    73    95    75  
   72    73    95    75  
   73    74    79    80    82    83    84    95    98    99   100   101    85    81    87    89    93    75    76    77    78  
   74    79    80    82    83    84    95    98    85    86    81    87    88    96    89    90    91    92    93    94    75    76    77    78  
   79    80    82    95    85    81    87    89    93    75  
   76    77    78    79    81    82    95    98  
   77    78    95  
   78    95  
   95  
   80    82    83    84    95    98    85    86    81    87    89    93  
   82    83    84    95    85    86    81  
   87    88    96    97   102    89    90    91    92    93    94    82    85    95  
   83    84    95    98    99   100   101    85    86  
   84    95    98    85  
   95    98    85  
   86    95  
    0  
   88    96    97   102   103   104    89    90    91    92    93    94  
   96    97   102    89    93  
   90    91    92    93    94    96  
   91    92    93  
   92    93  
   93  
   94    96  
    0  
   98    99   100   101  
   97   102   103   104   105   109   113  
  102   103   104  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107   108   109   110   111   112   113   114  
  104   105   109   113  
  105   106   107   108   109   110   111   112   113   114  
  106   107   108   109   110   111   112   113   114  
  107   108   109   113  
  108   109   113  
  109   113  
  110   111   112   113   114  
  111   112   113  
  112   113  
  113  
  114  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   96   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  103   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  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
  113   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  114   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   340.000  1.090
   33    38   317.000  1.510
   33    63   268.000  1.529
   38    39   465.000  1.376
   38    41   510.000  1.338
   39    40   745.000  1.250
   39    43   270.000  1.512
   43    44   317.000  1.510
   43    45   268.000  1.529
   43    49   268.000  1.529
   44    53   549.000  1.340
   44    63   317.000  1.510
   53    54   340.000  1.080
   53    55   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    95   268.000  1.529
   60    61   317.000  1.522
   60    63   268.000  1.529
   60    65   268.000  1.529
   61    62   570.000  1.229
   61    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   268.000  1.529
   72    95   268.000  1.529
   72    75   268.000  1.529
   73    74   340.000  1.090
   73    79   268.000  1.529
   73    81   268.000  1.529
   79    80   340.000  1.090
   79    82   268.000  1.529
   79    85   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    95   268.000  1.529
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   85    86   553.000  0.945
   81    87   317.000  1.522
   81    89   268.000  1.529
   81    93   320.000  1.410
   87    88   570.000  1.229
   87    96   320.000  1.462
   96    97   340.000  1.080
   96   102   549.000  1.340
  102   103   340.000  1.080
  102   104   317.000  1.510
  104   105   268.000  1.529
  104   109   268.000  1.529
  104   113   320.000  1.410
  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
  113   114   553.000  0.945
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   63    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   41    42   553.000  0.945
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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    63    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    90.00000  109.34000
   33    63    44    70.00000  112.02700
   33    63    60    58.35000  112.70000
   33    63    64    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    65.00000  122.18000
   38    41    42    70.00000  107.45700
   39    43    44    70.00000  110.12100
   39    43    45    70.00000  112.02700
   39    43    49    70.00000  112.02700
   43    39    40    85.00000  112.85300
   43    44    53    70.00000  124.00000
   43    44    63    65.00000  117.92700
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    48    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   44    53    54    35.00000  120.00000
   44    53    55    70.00000  124.00000
   44    63    60    70.00000  112.02700
   44    63    64    35.00000  109.50000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    70.00000  112.02700
   55    53    54    35.00000  117.00000
   55    58    59    37.50000  110.70000
   55    58    60    58.35000  112.70000
   55    58    95    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    60    61    63.00000  111.10000
   58    60    63    58.35000  112.70000
   58    60    65    58.35000  112.70000
   58    95    72    58.35000  112.70000
   58    95    82    58.35000  112.70000
   58    95    98    58.35000  112.70000
   60    58    59    37.50000  110.70000
   60    61    62    80.00000  120.40000
   60    61    69    70.00000  116.00000
   60    63    64    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    68    37.50000  110.70000
   61    69    70    35.00000  109.50000
   61    69    71    35.00000  109.50000
   61    69    72    63.00000  111.10000
   69    61    62    80.00000  120.40000
   69    72    73    58.35000  112.70000
   69    72    95    58.35000  112.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    73    74    37.50000  110.70000
   72    73    79    58.35000  112.70000
   72    73    81    58.35000  112.70000
   72    95    82    58.35000  112.70000
   72    95    98    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    82    58.35000  112.70000
   73    79    85    50.00000  109.50000
   73    81    87    63.00000  111.10000
   73    81    89    58.35000  112.70000
   73    81    93    50.00000  109.50000
   79    73    74    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    95    58.35000  112.70000
   79    85    86    55.00000  108.50000
   82    79    80    37.50000  110.70000
   82    95    98    58.35000  112.70000
   84    82    83    33.00000  107.80000
   95    58    59    37.50000  110.70000
   95    58    60    58.35000  112.70000
   95    72    73    58.35000  112.70000
   95    82    83    37.50000  110.70000
   95    82    84    37.50000  110.70000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   85    79    80    35.00000  109.50000
   85    79    82    50.00000  109.50000
   81    73    74    37.50000  110.70000
   81    73    79    58.35000  112.70000
   81    87    88    80.00000  120.40000
   81    87    96    65.00000  118.62400
   81    89    90    37.50000  110.70000
   81    89    91    37.50000  110.70000
   81    89    92    37.50000  110.70000
   81    93    94    55.00000  108.50000
   87    96    97    40.00000  117.72500
   87    96   102    65.00000  118.96000
   96    87    88    80.00000  123.72100
   96   102   103    35.00000  120.00000
   96   102   104    70.00000  124.00000
  102    96    97    35.00000  120.00000
  102   104   105    70.00000  112.02700
  102   104   109    70.00000  112.02700
  102   104   113    90.00000  110.39200
  104   102   103    35.00000  117.00000
  104   105   106    37.50000  110.70000
  104   105   107    37.50000  110.70000
  104   105   108    37.50000  110.70000
  104   109   110    37.50000  110.70000
  104   109   111    37.50000  110.70000
  104   109   112    37.50000  110.70000
  104   113   114    55.00000  108.50000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   104   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
  113   104   105    50.00000  109.50000
  113   104   109    50.00000  109.50000
   89    81    87    63.00000  111.10000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    81    87    90.00000  109.61100
   93    81    89    50.00000  109.50000
   75    72    73    58.35000  112.70000
   75    72    95    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   63    33    34    37.50000  110.70000
   63    33    38    70.00000  112.02700
   63    44    53    70.00000  124.00000
   63    60    61    63.00000  111.10000
   65    60    61    63.00000  111.10000
   65    60    63    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   45    43    44    70.00000  112.02700
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    43    44    70.00000  112.02700
   49    43    45    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   41    38    39    80.00000  121.38400
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
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   79    82    95    98   0.56750  1.0 1.0
   79    82    95    98  -0.07550 -1.0 2.0
   79    82    95    98   0.20000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    95   0.15000  1.0 3.0
   80    79    85    86   0.19450  1.0 3.0
   82    79    85    86  -0.11600  1.0 1.0
   82    79    85    86  -0.09450 -1.0 2.0
   82    79    85    86   0.21250  1.0 3.0
   82    95    98    99   0.15000  1.0 3.0
   82    95    98   100   0.15000  1.0 3.0
   82    95    98   101   0.15000  1.0 3.0
   83    82    95    58   0.15000  1.0 3.0
   83    82    95    72   0.15000  1.0 3.0
   83    82    95    98   0.15000  1.0 3.0
   84    82    95    58   0.15000  1.0 3.0
   84    82    95    72   0.15000  1.0 3.0
   84    82    95    98   0.15000  1.0 3.0
   95    58   -60    61  -0.95700  1.0 1.0
   95    58   -60    61  -0.18200 -1.0 2.0
   95    58   -60    61   0.29450  1.0 3.0
   95    58    60    63   0.56750  1.0 1.0
   95    58    60    63  -0.07550 -1.0 2.0
   95    58    60    63   0.20000  1.0 3.0
   95    58    60    65   0.56750  1.0 1.0
   95    58    60    65  -0.07550 -1.0 2.0
   95    58    60    65   0.20000  1.0 3.0
   95    72    73    74   0.15000  1.0 3.0
   95    72   -73    79   0.56750  1.0 1.0
   95    72   -73    79  -0.07550 -1.0 2.0
   95    72   -73    79   0.20000  1.0 3.0
   95    72    73    81   0.56750  1.0 1.0
   95    72    73    81  -0.07550 -1.0 2.0
   95    72    73    81   0.20000  1.0 3.0
   95    72    75    76   0.15000  1.0 3.0
   95    72    75    77   0.15000  1.0 3.0
   95    72    75    78   0.15000  1.0 3.0
   85    79    82    83   0.23400  1.0 3.0
   85    79    82    84   0.23400  1.0 3.0
   85    79    82    95   0.86500  1.0 1.0
   85    79    82    95  -0.17500 -1.0 2.0
   85    79    82    95   0.20800  1.0 3.0
   81    73    79    80   0.15000  1.0 3.0
   81    73    79    82   0.56750  1.0 1.0
   81    73    79    82  -0.07550 -1.0 2.0
   81    73    79    82   0.20000  1.0 3.0
   81    73    79    85   0.86500  1.0 1.0
   81    73    79    85  -0.17500 -1.0 2.0
   81    73    79    85   0.20800  1.0 3.0
   81    87    96    97   0.04550  1.0 1.0
   81    87    96    97   0.83000 -1.0 2.0
   81    87    96    97  -0.04000  1.0 3.0
   81    87    96   102  -0.33500  1.0 1.0
   81    87    96   102   1.06600 -1.0 2.0
   81    87    96   102  -0.14000  1.0 3.0
   87    81    89    90  -0.11250  1.0 3.0
   87    81    89    91  -0.11250  1.0 3.0
   87    81    89    92  -0.11250  1.0 3.0
   87    81    93    94   0.91850  1.0 1.0
   87    81    93    94   0.57950  1.0 3.0
   87    96   102   103   7.00000 -1.0 2.0
   87    96   102   104   7.00000 -1.0 2.0
   88    87    96    97   0.00000  1.0 1.0
   88    87    96   102   1.00000 -1.0 2.0
   96   102   104   105   0.09850  1.0 1.0
   96   102   104   105   0.15250 -1.0 2.0
   96   102   104   105  -0.50650  1.0 3.0
   96   102   104   109   0.09850  1.0 1.0
   96   102   104   109   0.15250 -1.0 2.0
   96   102   104   109  -0.50650  1.0 3.0
   96   102   104   113   0.67800  1.0 1.0
   96   102   104   113   0.47050 -1.0 2.0
   96   102   104   113  -0.62500  1.0 3.0
   97    96   102   103   7.00000 -1.0 2.0
   97    96   102   104   7.00000 -1.0 2.0
  102   104   105   106   0.15000  1.0 3.0
  102   104   105   107   0.15000  1.0 3.0
  102   104   105   108   0.15000  1.0 3.0
  102   104   109   110   0.15000  1.0 3.0
  102   104   109   111   0.15000  1.0 3.0
  102   104   109   112   0.15000  1.0 3.0
  102   104   113   114  -0.07800  1.0 1.0
  102   104   113   114  -0.21500 -1.0 2.0
  102   104   113   114  -0.03150  1.0 3.0
  103   102   104   105   0.00000  1.0 1.0
  103   102   104   109   0.00000  1.0 1.0
  103   102   104   113   0.00000  1.0 1.0
  105   104   109   110   0.15000  1.0 3.0
  105   104   109   111   0.15000  1.0 3.0
  105   104   109   112   0.15000  1.0 3.0
  105   104   113   114  -0.11600  1.0 1.0
  105   104   113   114  -0.09450 -1.0 2.0
  105   104   113   114   0.21250  1.0 3.0
  109   104   105   106   0.15000  1.0 3.0
  109   104   105   107   0.15000  1.0 3.0
  109   104   105   108   0.15000  1.0 3.0
  109   104   113   114  -0.11600  1.0 1.0
  109   104   113   114  -0.09450 -1.0 2.0
  109   104   113   114   0.21250  1.0 3.0
  113   104   105   106   0.23400  1.0 3.0
  113   104   105   107   0.23400  1.0 3.0
  113   104   105   108   0.23400  1.0 3.0
  113   104   109   110   0.23400  1.0 3.0
  113   104   109   111   0.23400  1.0 3.0
  113   104   109   112   0.23400  1.0 3.0
   89    81    87    88   0.30150 -1.0 2.0
   89    81    87    96   0.65300  1.0 1.0
   89    81    87    96  -0.03850 -1.0 2.0
   89    81    87    96   0.33900  1.0 3.0
   89    81    93    94  -0.11600  1.0 1.0
   89    81    93    94  -0.09450 -1.0 2.0
   89    81    93    94   0.21250  1.0 3.0
   93    81    87    88   0.30150 -1.0 2.0
   93    81    87    96   0.65300  1.0 1.0
   93    81    87    96  -0.03850 -1.0 2.0
   93    81    87    96   0.33900  1.0 3.0
   93    81    89    90   0.23400  1.0 3.0
   93    81    89    91   0.23400  1.0 3.0
   93    81    89    92   0.23400  1.0 3.0
   75    72    73    74   0.15000  1.0 3.0
   75    72    73    79   0.56750  1.0 1.0
   75    72    73    79  -0.07550 -1.0 2.0
   75    72    73    79   0.20000  1.0 3.0
   75    72    73    81   0.56750  1.0 1.0
   75    72    73    81  -0.07550 -1.0 2.0
   75    72    73    81   0.20000  1.0 3.0
   75    72    95    58   0.56750  1.0 1.0
   75    72    95    58  -0.07550 -1.0 2.0
   75    72    95    58   0.20000  1.0 3.0
   75    72    95    82   0.56750  1.0 1.0
   75    72    95    82  -0.07550 -1.0 2.0
   75    72    95    82   0.20000  1.0 3.0
   75    72    95    98   0.56750  1.0 1.0
   75    72    95    98  -0.07550 -1.0 2.0
   75    72    95    98   0.20000  1.0 3.0
   63    33   -38    39   0.09850  1.0 1.0
   63    33   -38    39   0.15250 -1.0 2.0
   63    33   -38    39  -0.50650  1.0 3.0
   63    33    38    41   0.09700  1.0 1.0
   63    33    38    41   0.15600 -1.0 2.0
   63    33    38    41  -0.50800  1.0 3.0
   63    44    53    54   7.00000 -1.0 2.0
   63    44   -53    55   7.00000 -1.0 2.0
   63    60    61    62   0.30150 -1.0 2.0
   63    60    61    69   0.60050  1.0 1.0
   63    60    61    69   0.05600 -1.0 2.0
   63    60    61    69   0.26150  1.0 3.0
   63    60    65    66   0.15000  1.0 3.0
   63    60    65    67   0.15000  1.0 3.0
   63    60    65    68   0.15000  1.0 3.0
   65    60    61    62   0.30150 -1.0 2.0
   65    60    61    69   0.60050  1.0 1.0
   65    60    61    69   0.05600 -1.0 2.0
   65    60    61    69   0.26150  1.0 3.0
   65    60    63    33   0.56750  1.0 1.0
   65    60    63    33  -0.07550 -1.0 2.0
   65    60    63    33   0.20000  1.0 3.0
   65    60    63    44   0.34400  1.0 1.0
   65    60    63    44   0.09450 -1.0 2.0
   65    60    63    44   0.11100  1.0 3.0
   65    60    63    64   0.15000  1.0 3.0
   45    43    44    53   0.09850  1.0 1.0
   45    43    44    53   0.15250 -1.0 2.0
   45    43    44    53  -0.50650  1.0 3.0
   45    43    44    63   0.46850  1.0 1.0
   45    43    44    63   0.08550 -1.0 2.0
   45    43    44    63   0.09800  1.0 3.0
   45    43    49    50   0.15000  1.0 3.0
   45    43    49    51   0.15000  1.0 3.0
   45    43    49    52   0.15000  1.0 3.0
   49    43    44    53   0.09850  1.0 1.0
   49    43    44    53   0.15250 -1.0 2.0
   49    43    44    53  -0.50650  1.0 3.0
   49    43    44    63   0.46850  1.0 1.0
   49    43    44    63   0.08550 -1.0 2.0
   49    43    44    63   0.09800  1.0 3.0
   49    43    45    46   0.15000  1.0 3.0
   49    43    45    47   0.15000  1.0 3.0
   49    43    45    48   0.15000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   43    63    44    53   1.10000 -1.0 2.0
   55    54    53    44   1.10000 -1.0 2.0
   60    69    61    62  10.50000 -1.0 2.0
   81    96    87    88  10.50000 -1.0 2.0
   87    97    96   102  15.00000 -1.0 2.0
  104   103   102    96  15.00000 -1.0 2.0
END
