* LIGAND DATABASE FILE (OPLS2005)
*
001     115   116    208    303     605
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02027   105.58739    -0.58884
    3     1 S   H    _H1_     3     1.02135    48.03361   100.69000
    4     1 S   H    _H2_     4     1.02151    64.47731  -104.19682
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C23    36     1.85000    97.50638  -178.16378
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C25    37     1.52055   105.73139   180.00000
   38    37 S   O    _O34    38     1.22552   125.21721    64.12895
   39    33 S   CT   _C24    79     1.56115   110.77474   -60.07043
   40    39 S   HC   _H20    80     1.08639   109.37175   178.96184
   41    39 S   HC   _H21    81     1.08949   106.47797    64.09538
   42    37 S   CM   _C19    39     1.50636   118.68558  -110.91852
   43    42 S   CM   _C20    40     1.47559   116.12404    30.78367
   44    43 S   HC   _H19    41     1.07080   118.73512   145.80083
   45    42 S   NI   _N4_    51     1.28852   113.71228  -153.42756
   46    43 S   CO4  _C21    42     1.34653   119.86770   -33.86979
   47    46 S   O    _O36    43     1.26223   129.87969  -179.81655
   48    45 S   CD   _C18    52     1.37003   122.86392  -173.43517
   49    48 S   OM   _O33    53     1.22631   126.64498   -42.20675
   50    33 S   CT   _C22    44     1.56015   107.96591    61.41661
   51    50 S   HC   _H9_    45     1.09793   107.88252   -48.67624
   52    48 S   CM   _C17    54     1.51655   112.07478   138.11826
   53    50 S   OS   _O35    46     1.43840   109.61773  -163.65122
   54    52 S   CM   _C16    55     1.34874   118.82261    13.03673
   55    54 S   HC   _H18    56     1.09602   117.36289     0.91472
   56    52 S   CT   _C27   112     1.50060   114.81067  -166.33359
   57    56 S   HC   _H25   113     1.08818   109.55997   -90.70656
   58    56 S   HC   _H26   114     1.08820   109.52990   149.15976
   59    56 S   HC   _H27   115     1.08830   109.55217    29.50984
   60    53 S   CT   _C26    47     1.41577   110.89101   154.50692
   61    60 S   HC   _H22    48     1.09280   109.50758  -179.96044
   62    60 S   HC   _H23    49     1.09208   109.53648    59.20679
   63    60 S   HC   _H24    50     1.09323   108.94274   -60.44496
   64    54 S   CM   _C15    57     1.44781   128.19997  -178.74805
   65    64 S   HC   _H17    58     1.07701   117.84434    -8.39421
   66    64 S   CM   _C14    59     1.34565   125.12836   171.39095
   67    66 S   HC   _H16    60     1.08368   117.03989   179.18052
   68    66 S   CT   _C13    61     1.51293   127.50974    -2.85156
   69    68 S   HC   _H8_    62     1.11145   111.15127   -17.50149
   70    68 S   CT   _C12    63     1.54290   111.79062   104.35110
   71    70 S   HC   _H7_    64     1.09150   107.19975   -41.57074
   72    68 S   OS   _O37   107     1.42919   108.06105  -133.21114
   73    70 S   CM   _C11    65     1.52621   113.97806  -161.42095
   74    70 S   OS   _O38   101     1.42888   109.44832    75.35458
   75    72 S   CT   _C28   108     1.41686   111.03531    80.00341
   76    75 S   HC   _H28   109     1.09276   109.45205   179.98022
   77    75 S   HC   _H29   110     1.09273   109.48279    59.25308
   78    75 S   HC   _H30   111     1.09262   108.95983   -60.39485
   79    73 S   CM   _C10    66     1.34947   119.19952   122.41528
   80    79 S   HC   _H15    67     1.08882   117.72470    -1.47936
   81    73 S   CT   _C30    97     1.50373   117.05021   -59.56900
   82    81 S   HC   _H33    98     1.08494   109.03828   -87.94902
   83    81 S   HC   _H34    99     1.08576   109.05126   151.93463
   84    81 S   HC   _H35   100     1.08451   109.04278    32.30720
   85    74 S   CO4  _C29   102     1.36440   115.62810  -146.40922
   86    85 S   O    _O39   103     1.22623   125.33485    -0.02798
   87    79 S   CT   _C9_    68     1.51720   128.61845   179.01028
   88    87 S   HC   _H6_    69     1.05738   111.54636    21.68447
   89    85 S   N    _N5_   104     1.37252   110.31832   179.98022
   90    89 S   H    _H31   105     1.01393   119.29933   179.96574
   91    89 S   H    _H32   106     1.01430   121.39629    -0.00000
   92    87 S   CT   _C8_    70     1.55226   110.37188   140.65981
   93    92 S   HC   _H5_    71     1.08330   107.65642    45.92149
   94    87 S   CT   _C31    93     1.53502   108.18186   -97.03107
   95    94 S   HC   _H36    94     1.08771   109.65854   -59.08073
   96    94 S   HC   _H37    95     1.08770   109.61018  -179.06267
   97    94 S   HC   _H38    96     1.08750   109.61000    60.89786
   98    92 S   CT   _C7_    72     1.54899   113.21063   -73.23503
   99    98 S   HC   _H4_    73     1.09644   109.04215    37.04565
  100    92 S   OH   _O40    91     1.42944   109.76337   163.86599
  101   100 S   HO   _H39    92     0.96801   106.36119    59.96803
  102    98 S   CT   _C6_    74     1.54484   113.66282   -86.61923
  103   102 S   HC   _H13    75     1.09955   107.35958    37.16970
  104   102 S   HC   _H14    76     1.09735   110.71608   -74.95539
  105    98 S   OS   _O41    86     1.43009   106.82594   152.45181
  106   102 S   CT   _C5_    77     1.55518   116.14063   160.50233
  107   106 S   HC   _H3_    78     1.10071   108.80643   -59.37963
  108   105 S   CT   _C32    87     1.41764   111.20423   -76.47869
  109   108 S   HC   _H40    88     1.09241   109.51563  -179.98022
  110   108 S   HC   _H41    89     1.09337   109.48590    59.20461
  111   108 S   HC   _H42    90     1.09266   108.97566   -60.36478
  112   106 S   CT   _C4_    82     1.53894   107.74039  -173.77187
  113   112 S   HC   _H10    83     1.08370   109.18505   -63.75688
  114   112 S   HC   _H11    84     1.08486   109.12877   176.30244
  115   112 S   HC   _H12    85     1.08365   109.14365    56.30019
  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
  18   2   1   1  14   5  17   6   5   9   8   4   6   5   3   9
   3   7   2   9   4  10   4   4   2   1   1   3   2   1   1   7
   3   9   4  13   6  15   6   6  12   7   3   2   1   1  15   5
   4   2   1   1   4   3  13   8   2   1   1  15   7   5   2   1
   1  14   7   3   1  10   5   4   5   5   4   3   2   1   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    46    50    51    53   106    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    47    50    51    53    60    45   102   106   107    39    40    41   112  
   35    36  
   36  
    0  
   38    42    43    44    46    50    51    53    45    48   106    39    40    41  
   42    43    50    45    39  
   40    41   112   113   114   115    42    46    50    51    53    98   102   103   104   106   107  
   41   112    50   102   106   107  
  112    50   102   106   107  
   43    44    46    47    50    45    48    49    52  
   44    46    47    50    51    53    45    48  
   46    47    50    45  
   48    49    52    54    56    46  
   47    50    51    53    60  
   50    51    53  
   49    52    54    55    64    56    57    58    59  
   52    54    56  
   51    53    60    61    62    63   106  
   53    60  
   54    55    64    65    66    56    57    58    59  
   60    61    62    63  
   55    64    65    66    67    68    56    57    58    59  
   64    65    66    56  
   57    58    59    64  
   58    59  
   59  
    0  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    69    70    72  
   66    67    68  
   67    68    69    70    71    73    74    72    75  
   68    69    70    72  
   69    70    71    73    79    81    74    85    72    75    76    77    78  
   70    71    73    74    72    75  
   71    73    79    80    87    81    82    83    84    74    85    86    89    72    75  
   73    79    81    74    85    72  
   75    76    77    78    73    74  
   79    80    87    88    92    94    81    82    83    84    74    85  
   85    86    89    90    91    79    81  
   76    77    78  
   77    78  
   78  
    0  
   80    87    88    92    93    98   100    94    95    96    97    81    82    83    84  
   87    88    92    94    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86    89    90    91  
   89    90    91  
   88    92    93    98    99   102   105   100   101    94    95    96    97  
   92    93    98   100    94    95    96    97  
   90    91  
   91  
    0  
   93    98    99   102   103   104   106   105   108   100   101    94    95    96    97  
   98    99   102   105   100   101    94  
   95    96    97    98   100  
   96    97  
   97  
    0  
   99   102   103   104   106   107   112   105   108   109   110   111   100   101  
  102   103   104   106   105   108   100  
  101   102   105  
    0  
  103   104   106   107   112   113   114   115   105   108  
  104   106   107   112   105  
  106   107   112   105  
  108   109   110   111   106  
  107   112   113   114   115  
  112   113   114   115  
  109   110   111  
  110   111  
  111  
    0  
  113   114   115  
  114   115  
  115  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2800   0.1700  -0.912200   1.8540   1.6400   0.005000000   0.000000000
   46   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.7500   0.1050   0.478000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
   50   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   53   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   87   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   90   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   91   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  100   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  101   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
  106   3.5000   0.0660  -0.060000   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   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  1.522
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   320.000  1.462
   42    43   549.000  1.340
   42    45   405.000  1.380
   43    44   340.000  1.080
   43    46   320.000  1.462
   46    47   570.000  1.229
   46    50   317.000  1.522
   50    51   340.000  1.090
   50    53   320.000  1.410
   53    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   45    48   500.000  1.261
   48    49   795.000  1.237
   48    52   320.000  1.464
   52    54   549.000  1.340
   52    56   317.000  1.510
   54    55   340.000  1.080
   54    64   380.000  1.444
   64    65   340.000  1.080
   64    66   549.000  1.340
   66    67   340.000  1.080
   66    68   317.000  1.510
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   70    73   317.000  1.510
   70    74   320.000  1.410
   73    79   549.000  1.340
   73    81   317.000  1.510
   79    80   340.000  1.080
   79    87   317.000  1.510
   87    88   340.000  1.090
   87    92   268.000  1.529
   87    94   268.000  1.529
   92    93   340.000  1.090
   92    98   268.000  1.529
   92   100   320.000  1.410
   98    99   340.000  1.090
   98   102   268.000  1.529
   98   105   320.000  1.410
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   106   268.000  1.529
  106   107   340.000  1.090
  106    39   268.000  1.529
  106   112   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
  105   108   320.000  1.410
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
  100   101   553.000  0.945
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   74    85   214.000  1.327
   85    86   570.000  1.229
   85    89   435.000  1.380
   89    90   434.000  1.010
   89    91   434.000  1.010
   72    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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  110.18000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  118.62400
   33    50    46    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    53    50.00000  109.50000
   33    39   106    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  118.96000
   37    42    45    85.00000  113.88000
   42    37    38    80.00000  123.72100
   42    43    44    35.00000  120.00000
   42    43    46    65.00000  118.96000
   42    45    48    75.00000  115.77100
   43    46    47    80.00000  123.72100
   43    46    50    65.00000  118.62400
   46    43    44    40.00000  117.72500
   46    50    51    35.00000  109.50000
   46    50    53    90.00000  108.74100
   50    33    37    63.00000  111.10000
   50    46    47    80.00000  120.40000
   50    53    60    60.00000  109.50000
   53    50    51    35.00000  109.50000
   53    60    61    35.00000  109.50000
   53    60    62    35.00000  109.50000
   53    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   45    42    43    70.00000  120.83400
   45    48    49    75.00000  134.47000
   45    48    52    70.00000  121.86000
   48    52    54    60.00000  120.31500
   48    52    56    65.00000  117.22000
   52    48    49    90.00000  107.08000
   52    54    55    35.00000  120.00000
   52    54    64    70.00000  123.01800
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   54    64    65    35.00000  120.00000
   54    64    66    70.00000  123.01800
   64    54    55    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    70.00000  124.00000
   66    64    65    35.00000  120.00000
   66    68    69    35.00000  109.50000
   66    68    70    70.00000  112.02700
   66    68    72    85.00000  110.90400
   68    66    67    35.00000  117.00000
   68    70    71    37.50000  110.70000
   68    70    73    70.00000  112.02700
   68    70    74    50.00000  109.50000
   68    72    75    60.00000  109.50000
   70    68    69    37.50000  110.70000
   70    73    79    70.00000  124.00000
   70    73    81    65.00000  117.92700
   70    74    85    83.00000  116.90000
   73    70    71    35.00000  109.50000
   73    79    80    35.00000  120.00000
   73    79    87    70.00000  124.00000
   73    81    82    35.00000  109.50000
   73    81    83    35.00000  109.50000
   73    81    84    35.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    92    70.00000  112.02700
   79    87    94    70.00000  112.02700
   87    79    80    35.00000  117.00000
   87    92    93    37.50000  110.70000
   87    92    98    58.35000  112.70000
   87    92   100    50.00000  109.50000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94    97    37.50000  110.70000
   92    87    88    37.50000  110.70000
   92    98    99    37.50000  110.70000
   92    98   102    58.35000  112.70000
   92    98   105    50.00000  109.50000
   92   100   101    55.00000  108.50000
   98    92    93    37.50000  110.70000
   98   102   103    37.50000  110.70000
   98   102   104    37.50000  110.70000
   98   102   106    58.35000  112.70000
   98   105   108    60.00000  109.50000
  102    98    99    37.50000  110.70000
  102   106   107    37.50000  110.70000
  102   106    39    58.35000  112.70000
  102   106   112    58.35000  112.70000
  104   102   103    33.00000  107.80000
  106   102   103    37.50000  110.70000
  106   102   104    37.50000  110.70000
  106    39    40    37.50000  110.70000
  106    39    41    37.50000  110.70000
  106   112   113    37.50000  110.70000
  106   112   114    37.50000  110.70000
  106   112   115    37.50000  110.70000
   39    33    37    63.00000  111.10000
   39    33    50    58.35000  112.70000
   39   106   107    37.50000  110.70000
   41    39    40    33.00000  107.80000
  112   106   107    37.50000  110.70000
  112   106    39    58.35000  112.70000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
  105    98    99    35.00000  109.50000
  105    98   102    50.00000  109.50000
  105   108   109    35.00000  109.50000
  105   108   110    35.00000  109.50000
  105   108   111    35.00000  109.50000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
  100    92    93    35.00000  109.50000
  100    92    98    50.00000  109.50000
   94    87    88    37.50000  110.70000
   94    87    92    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   81    73    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    73    85.00000  110.90400
   74    85    86    83.00000  123.40000
   74    85    89   110.00000  108.75700
   85    89    90    50.00000  116.34900
   85    89    91    50.00000  116.34900
   89    85    86    85.00000  125.96000
   91    89    90    35.00000  120.00000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   56    52    54    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
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   94    87    92   100   0.20800  1.0 3.0
   81    73    79    80   7.00000 -1.0 2.0
   81    73    79    87   7.00000 -1.0 2.0
   74    70    73    79   0.39000  1.0 1.0
   74    70    73    79  -0.05800 -1.0 2.0
   74    70    73    79  -0.55150  1.0 3.0
   74    70    73    81   0.09700  1.0 1.0
   74    70    73    81   0.15600 -1.0 2.0
   74    70    73    81  -0.50800  1.0 3.0
   74    85    89    90   2.56700 -1.0 2.0
   74    85    89    91   2.56700 -1.0 2.0
   86    85    89    90   2.45000 -1.0 2.0
   86    85    89    91   2.45000 -1.0 2.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    73   0.61850  1.0 1.0
   72    68    70    73  -0.22750 -1.0 2.0
   72    68    70    73   0.15300  1.0 3.0
   72    68    70    74   1.11900  1.0 1.0
   72    68    70    74  -1.16350 -1.0 2.0
   72    68    70    74  -0.34150  1.0 3.0
   56    52    54    55   7.00000 -1.0 2.0
   56    52    54    64   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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   37    45    42    43   1.10000 -1.0 2.0
   46    44    43    42   1.10000 -1.0 2.0
   43    50    46    47  10.50000 -1.0 2.0
   52    49    48    45  10.50000 -1.0 2.0
   48    56    52    54   1.10000 -1.0 2.0
   64    55    54    52   1.10000 -1.0 2.0
   54    65    64    66   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   70    81    73    79   1.10000 -1.0 2.0
   87    80    79    73   1.10000 -1.0 2.0
   74    89    85    86  10.50000 -1.0 2.0
   91    85    89    90   1.00000 -1.0 2.0
END
