* LIGAND DATABASE FILE (OPLS2005)
*
001     111   112    205    316     613
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02087    94.41885   -61.39110
    3     1 S   H    _H1_     3     1.02089    85.74462    47.08527
    4     1 S   H    _H2_     4     1.02100    33.57724  -178.95958
    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     1.08641   109.88695   179.05581
   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   _C7_    36     1.83046    98.07473   161.82663
   34    33 S   HC   _H4_    37     1.08821   105.92766   -34.53460
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   _C8_    38     1.49987   108.41420    80.02482
   39    38 S   HC   _H13    39     1.09614   118.35018   -66.32214
   40    38 S   CM   _C9_    40     1.34552   123.57165   114.32002
   41    40 S   OS   _O33    41     1.38069   123.51829    -2.36678
   42    40 S   OH   _O40   110     1.38428   120.40648   177.49313
   43    42 S   HO   _H43   111     0.96282   109.80751    -0.00000
   44    41 S   CT   _C10    42     1.43919   117.60446   -11.68422
   45    44 S   HC   _H5_    43     1.12961   105.66654   156.99801
   46    33 S   CT   _C6_    44     1.54353   115.64513  -155.83004
   47    46 S   HC   _H3_    45     1.15485   105.75561   160.92299
   48    44 S   CM   _C11    53     1.49868   109.15673   -90.40034
   49    48 S   HC   _H14    54     1.08453   115.38298    66.46559
   50    46 S   CT   _C5_    46     1.53108   114.64982    47.18571
   51    50 S   HC   _H11    47     1.08827   108.37919   176.13877
   52    50 S   HC   _H12    48     1.08849   108.35219   -66.43452
   53    48 S   CM   _C12    55     1.34171   123.57988  -112.93646
   54    53 S   HC   _H15    56     1.08862   116.21609     1.28937
   55    50 S   CT   _C4_    49     1.48827   111.16187    54.80632
   56    55 S   HC   _H8_    50     1.09561   109.11952   -59.77023
   57    55 S   HC   _H9_    51     1.09497   111.14731  -178.86185
   58    55 S   HC   _H10    52     1.09587   111.11368    59.29327
   59    53 S   CT   _C13    57     1.52445   128.47452   179.30142
   60    59 S   CT   _C14    58     1.55655   114.71099    29.91877
   61    60 S   HC   _H16    59     1.10001   109.03118  -179.97202
   62    60 S   HC   _H17    60     1.09912   109.23956   -67.40623
   63    59 S   CT   _C16    68     1.56560   111.03981   -97.53625
   64    63 S   HC   _H6_    69     1.09663   108.20775    59.98775
   65    59 S   OH   _O39   108     1.44127   106.62352   145.07789
   66    65 S   HO   _H42   109     0.96587   105.64034    59.89424
   67    60 S   CT   _C15    61     1.52715   115.39982    57.45087
   68    67 S   HC   _H18    62     1.09245   112.30176    60.06485
   69    67 S   HC   _H19    63     1.09175   113.39753   -64.54322
   70    63 S   CT   _C17    70     1.54843   115.14119  -176.98689
   71    70 S   HC   _H23    71     1.09475   110.46333  -179.82868
   72    70 S   HC   _H24    72     1.09793   108.33542   -62.22496
   73    63 S   OS   _O35   102     1.43158   108.27862   -55.89670
   74    67 S   NP   _N4_    64     1.48599   108.80201   177.21428
   75    74 S   H    _H20    65     1.02445   110.92360   100.36913
   76    74 S   H    _H21    66     1.02585   110.79425   -19.58974
   77    74 S   H    _H22    67     1.02523   110.85939  -139.52281
   78    70 S   CT   _C18    73     1.54347   115.21765    57.73548
   79    78 S   HC   _H7_    74     1.09707   108.25137   -57.82821
   80    73 S   P2   _P1_   103     1.62782   118.95872   154.62922
   81    80 S   O2Z  _O38   104     1.51323   108.01547   -60.04441
   82    80 S   O2Z  _O36   105     1.51301   110.09670    73.33601
   83    78 S   CM   _C19    75     1.50813   112.50138  -176.18351
   84    83 S   HC   _H25    76     1.08906   114.98508   -90.86907
   85    78 S   OH   _O34   100     1.42364   110.49826    58.36441
   86    85 S   HO   _H40   101     0.97019   106.69444   -54.01500
   87    80 S   OS   _O37   106     1.63524    99.68543  -172.73969
   88    87 S   HO   _H41   107     0.98089   118.52003  -175.18981
   89    83 S   CM   _C20    77     1.34249   126.16791    88.91290
   90    89 S   HC   _H26    78     1.08596   120.12949  -179.65965
   91    89 S   CM   _C21    79     1.44615   123.00597    -0.02798
   92    91 S   HC   _H27    80     1.08689   117.34968     0.02798
   93    91 S   CM   _C22    81     1.34112   123.11874  -179.97202
   94    93 S   HC   _H28    82     1.08709   120.04607   179.97202
   95    93 S   CT   _C23    83     1.50025   123.68566    -0.02798
   96    95 S   HC   _H29    84     1.08182   107.58403   -29.94956
   97    95 S   CT   _C24    85     1.53018   109.90852    88.50350
   98    97 S   HC   _H30    86     1.09021   111.12615    53.12913
   99    97 S   HC   _H31    87     1.09188   108.79548   -64.39059
  100    97 S   CT   _C25    88     1.52539   111.69950   176.18972
  101   100 S   HC   _H32    89     1.09586   109.75287  -175.85494
  102   100 S   HC   _H33    90     1.09553   109.63058    67.13643
  103   100 S   CT   _C26    91     1.52596   111.67617   -54.36982
  104   103 S   HC   _H34    92     1.09613   109.52864   175.89773
  105   103 S   HC   _H35    93     1.09628   109.59188   -67.03556
  106   103 S   CT   _C27    94     1.52596   111.54560    54.51013
  107   106 S   HC   _H36    95     1.09566   109.45399    66.89077
  108   106 S   HC   _H37    96     1.09701   109.51005  -176.45072
  109    95 S   CT   _C28    97     1.53002   109.92487  -148.42172
  110   109 S   HC   _H38    98     1.09325   109.01335    64.17691
  111   109 S   HC   _H39    99     1.09236   111.04451   -53.30081
  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   9   4   7  10   2   1  12   6  11   5   8
   3   6   5   4  12   4   3   2   1   1  17  15   7   6  16   7
   4   1   6   5   4  11   6   5   6   3   2   1   1   8   5   4
   3   2   8   4   2   1   1   1   6   3   7   3  11   4  14   8
  12   6   5   9   5   4   8   5   4   5   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    40    44    46    47    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    46    47    50    51    52    55    48    42  
   38    39    40    44    46    47    50  
   36    37  
   37  
    0  
   39    40    41    44    46    47    50    42    43  
   40    41    46    42  
   41    44    45    46    48    42    43  
   44    45    46    47    50    48    49    53    42    43  
   43    44  
    0  
   45    46    47    50    51    52    55    48    49    53    54    59  
   46    47    50    48    49    53  
   47    50    51    52    55    56    57    58    48    49    53  
   50    51    52    55    48  
   49    53    54    59    60    63    65    50  
   53    54    59  
   51    52    55    56    57    58  
   52    55    56    57    58  
   55    56    57    58  
   54    59    60    61    62    67    63    64    70    73    65    66  
   59    60    63    65  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    67    68    69    74    63    64    70    71    72    78    73    80    65    66  
   61    62    67    68    69    74    75    76    77    63    64    70    73    65    66  
   62    67    68    69    74    63    65  
   67    68    69    74    63    65  
   64    70    71    72    78    79    83    85    73    80    81    82    87    65    66    67  
   70    71    72    78    73    80    65  
   66    67    70    73  
    0  
   68    69    74    75    76    77  
   69    74    75    76    77  
   74    75    76    77  
   71    72    78    79    83    84    89    85    86    73    80  
   72    78    79    83    85    73  
   78    79    83    85    73  
   80    81    82    87    88    78  
   75    76    77  
   76    77  
   77  
    0  
   79    83    84    89    90    91    85    86  
   83    84    89    85    86  
   81    82    87    88  
   82    87    88  
   87    88  
   84    89    90    91    92    93    85    86  
   89    90    91    85  
   86    89  
    0  
   88  
    0  
   90    91    92    93    94    95  
   91    92    93  
   92    93    94    95    96    97   109  
   93    94    95  
   94    95    96    97    98    99   100   106   109   110   111  
   95    96    97   109  
   96    97    98    99   100   101   102   103   106   107   108   109   110   111  
   97    98    99   100   106   109   110   111  
   98    99   100   101   102   103   104   105   106   109   110   111  
   99   100   101   102   103   109  
  100   101   102   103   109  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   106  
  103   104   105   106  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109  
  106   107   108   109  
  107   108   109   110   111  
  108   109   110   111  
  109   110   111  
  110   111  
  111  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   75   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   76   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   77   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   81   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   82   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   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   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.120000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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  -0.120000   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
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    46   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   317.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   48    49   340.000  1.080
   48    53   549.000  1.340
   53    54   340.000  1.080
   53    59   317.000  1.510
   59    60   268.000  1.529
   59    63   268.000  1.529
   59    65   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   367.000  1.471
   74    75   434.000  1.010
   74    76   434.000  1.010
   74    77   434.000  1.010
   63    64   340.000  1.090
   63    70   268.000  1.529
   63    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    83   317.000  1.510
   78    85   320.000  1.410
   83    84   340.000  1.080
   83    89   549.000  1.340
   89    90   340.000  1.080
   89    91   380.000  1.444
   91    92   340.000  1.080
   91    93   549.000  1.340
   93    94   340.000  1.080
   93    95   317.000  1.510
   95    96   340.000  1.090
   95    97   268.000  1.529
   95   109   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   268.000  1.529
  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   340.000  1.090
  106   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
   85    86   553.000  0.945
   73    80   230.000  1.697
   80    81   525.000  1.480
   80    82   525.000  1.480
   80    87   230.000  1.697
   87    88   553.000  0.945
   65    66   553.000  0.945
   42    43   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    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    58.35000  112.70000
   33    46    47    37.50000  110.70000
   33    46    50    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    80.00000  120.01400
   38    40    42    80.00000  121.38400
   40    38    39    35.00000  120.00000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    48    85.00000  110.90400
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    49    35.00000  117.00000
   44    48    53    70.00000  124.00000
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    55    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    70.00000  112.02700
   48    53    54    35.00000  120.00000
   48    53    59    70.00000  124.00000
   53    48    49    35.00000  120.00000
   53    59    60    70.00000  112.02700
   53    59    63    70.00000  112.02700
   53    59    65    90.00000  110.39200
   59    53    54    35.00000  117.00000
   59    60    61    37.50000  110.70000
   59    60    62    37.50000  110.70000
   59    60    67    58.35000  112.70000
   59    63    64    37.50000  110.70000
   59    63    70    58.35000  112.70000
   59    63    73    50.00000  109.50000
   59    65    66    55.00000  108.50000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    74    80.00000  111.20000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   69    67    68    33.00000  107.80000
   74    67    68    35.00000  109.50000
   74    67    69    35.00000  109.50000
   76    74    75    35.00000  109.50000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   63    59    60    58.35000  112.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    78    58.35000  112.70000
   63    73    80   100.00000  120.50000
   70    63    64    37.50000  110.70000
   70    78    79    37.50000  110.70000
   70    78    83    70.00000  112.02700
   70    78    85    50.00000  109.50000
   72    70    71    33.00000  107.80000
   78    70    71    37.50000  110.70000
   78    70    72    37.50000  110.70000
   78    83    84    35.00000  117.00000
   78    83    89    70.00000  124.00000
   78    85    86    55.00000  108.50000
   83    78    79    35.00000  109.50000
   83    89    90    35.00000  120.00000
   83    89    91    70.00000  123.01800
   89    83    84    35.00000  120.00000
   89    91    92    35.00000  120.00000
   89    91    93    70.00000  123.01800
   91    89    90    35.00000  120.00000
   91    93    94    35.00000  120.00000
   91    93    95    70.00000  124.00000
   93    91    92    35.00000  120.00000
   93    95    96    35.00000  109.50000
   93    95    97    70.00000  112.02700
   93    95   109    70.00000  112.02700
   95    93    94    35.00000  117.00000
   95    97    98    37.50000  110.70000
   95    97    99    37.50000  110.70000
   95    97   100    58.35000  112.70000
   95   109   106    58.35000  112.70000
   95   109   110    37.50000  110.70000
   95   109   111    37.50000  110.70000
   97    95    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100   102    37.50000  110.70000
   97   100   103    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   103   104    37.50000  110.70000
  100   103   105    37.50000  110.70000
  100   103   106    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    37.50000  110.70000
  103   100   102    37.50000  110.70000
  103   106   107    37.50000  110.70000
  103   106   108    37.50000  110.70000
  103   106   109    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  106   109   110    37.50000  110.70000
  106   109   111    37.50000  110.70000
  108   106   107    33.00000  107.80000
  109    95    96    37.50000  110.70000
  109    95    97    58.35000  112.70000
  109   106   107    37.50000  110.70000
  109   106   108    37.50000  110.70000
  111   109   110    33.00000  107.80000
   85    78    79    35.00000  109.50000
   85    78    83    90.00000  110.39200
   73    63    64    35.00000  109.50000
   73    63    70    50.00000  109.50000
   73    80    81   100.00000  108.23000
   73    80    82   100.00000  108.23000
   73    80    87    45.00000  102.60000
   80    87    88    45.00000  108.50000
   82    80    81   140.00000  119.90000
   87    80    81   100.00000  108.23000
   87    80    82   100.00000  108.23000
   65    59    60    50.00000  109.50000
   65    59    63    50.00000  109.50000
   42    40    41   115.00000  116.36000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
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   73    63    70    71   0.23400  1.0 3.0
   73    63    70    72   0.23400  1.0 3.0
   73    63    70    78   0.62750  1.0 1.0
   73    63    70    78  -0.30950 -1.0 2.0
   73    63    70    78   0.27300  1.0 3.0
   73    80    87    88   0.00000  1.0 1.0
   81    80    87    88   0.00000  1.0 1.0
   82    80    87    88   0.00000  1.0 1.0
   65    59    60    61   0.23400  1.0 3.0
   65    59    60    62   0.23400  1.0 3.0
   65    59    60    67   0.86500  1.0 1.0
   65    59    60    67  -0.17500 -1.0 2.0
   65    59    60    67   0.20800  1.0 3.0
   65    59    63    64   0.23400  1.0 3.0
   65    59    63    70   0.86500  1.0 1.0
   65    59    63    70  -0.17500 -1.0 2.0
   65    59    63    70   0.20800  1.0 3.0
   65    59    63    73   3.69350  1.0 1.0
   65    59    63    73  -1.82950 -1.0 2.0
   42    40    41    44   2.00000 -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    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   44    49    48    53  15.00000 -1.0 2.0
   59    54    53    48  15.00000 -1.0 2.0
   78    84    83    89  15.00000 -1.0 2.0
   91    90    89    83  15.00000 -1.0 2.0
   89    92    91    93  15.00000 -1.0 2.0
   95    94    93    91  15.00000 -1.0 2.0
END
