* 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     1.02079   102.81443    12.25778
    3     1 S   H    _H1_     3     1.02170    41.15782   116.10634
    4     1 S   H    _H2_     4     1.02154    72.61033   -93.62159
    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     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   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   _C22    36     1.86848    96.67863   161.85618
   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  _C21    37     1.56841   110.14139   -60.00411
   38    37 S   O    _O36    38     1.26684   112.67384   -54.27353
   39    33 S   OS   _O35   111     1.43496   109.43281  -178.69494
   40    37 S   CM   _C20    39     1.35173   120.43122   126.92751
   41    40 S   HC   _H19    40     1.08707   121.35916  -177.21554
   42    39 S   CT   _C26   112     1.41590   111.04325   159.96449
   43    42 S   HC   _H22   113     1.09258   109.55709   179.94766
   44    42 S   HC   _H23   114     1.09389   109.53759    59.18879
   45    42 S   HC   _H24   115     1.09231   108.99882   -60.42549
   46    40 S   CM   _C19    41     1.47476   122.37736     4.38249
   47    46 S   CO4  _C25    42     1.49423   113.62475    16.72711
   48    47 S   O    _O34    43     1.21916   119.07872   124.90073
   49    46 S   NI   _N4_    76     1.29578   122.96546  -163.92896
   50    33 S   CT   _C23    44     1.56368   105.63045    65.18672
   51    50 S   HC   _H9_    45     1.09889   110.03270   -46.01285
   52    50 S   CT   _C24    46     1.54694   115.02341    78.37941
   53    52 S   HC   _H20    47     1.09593   110.61888   -45.22631
   54    52 S   HC   _H21    48     1.09514   108.80572    70.33739
   55    52 S   CT   _C5_    49     1.55115   113.28249  -167.03367
   56    55 S   HC   _H3_    50     1.09526   110.11083   -38.34098
   57    55 S   CT   _C6_    51     1.54262   111.08097  -159.12222
   58    57 S   HC   _H13    52     1.09716   110.27389  -162.11059
   59    57 S   HC   _H14    53     1.09903   109.20644   -47.96189
   60    55 S   CT   _C4_   107     1.53431   110.23163    79.53061
   61    60 S   HC   _H10   108     1.08672   109.47909    60.25583
   62    60 S   HC   _H11   109     1.08650   109.48621   -59.74825
   63    60 S   HC   _H12   110     1.08634   109.46374  -179.82868
   64    57 S   CT   _C7_    54     1.54100   114.89123    74.53416
   65    64 S   HC   _H4_    55     1.10726   109.16896   -54.83985
   66    64 S   CT   _C8_    56     1.54785   115.50495    66.63461
   67    66 S   HC   _H5_    57     1.09750   108.45305   -62.46739
   68    64 S   OS   _O41   102     1.43020   109.09500  -168.69523
   69    66 S   CT   _C9_    58     1.55005   117.09807    60.15818
   70    69 S   HC   _H6_    59     1.09683   107.06753   -55.73660
   71    66 S   OH   _O40   100     1.43185   107.70203  -176.65286
   72    71 S   HO   _H39   101     0.96842   106.15414    52.03640
   73    68 S   CT   _C32   103     1.41791   111.19832    79.96926
   74    73 S   HC   _H40   104     1.09288   109.53759   179.94065
   75    73 S   HC   _H41   105     1.09305   109.52404    59.22895
   76    73 S   HC   _H42   106     1.09197   109.04190   -60.38112
   77    69 S   CM   _C10    60     1.52279   111.33433  -168.10569
   78    77 S   HC   _H15    61     1.09127   111.94193    92.33975
   79    69 S   CT   _C31    96     1.53305   115.62146    60.53544
   80    79 S   HC   _H36    97     1.08785   109.54607    62.41077
   81    79 S   HC   _H37    98     1.08709   109.58145   -57.53785
   82    79 S   HC   _H38    99     1.08673   109.57881  -177.60853
   83    77 S   CM   _C11    62     1.35012   131.57598   -91.00739
   84    83 S   CT   _C12    63     1.52343   120.79846  -173.39402
   85    84 S   HC   _H7_    64     1.09791   109.73935   175.00001
   86    83 S   CT   _C30    92     1.50283   125.55019     5.05113
   87    86 S   HC   _H33    93     1.08634   109.35625    90.00216
   88    86 S   HC   _H34    94     1.08677   109.39746   -30.19053
   89    86 S   HC   _H35    95     1.08671   109.36963  -149.82474
   90    84 S   CT   _C13    65     1.54066   115.83688   -60.88333
   91    90 S   HC   _H8_    66     1.09362   110.12884    70.27416
   92    84 S   OS   _O38    86     1.43429   107.51599    60.89654
   93    90 S   CM   _C14    67     1.50513   113.06680   -57.28344
   94    93 S   HC   _H16    68     1.09009   115.28074   -59.86504
   95    90 S   OS   _O37    81     1.43478   107.08756  -175.25963
   96    92 S   CO4  _C29    87     1.36395   115.61249    87.05448
   97    96 S   O    _O39    88     1.22676   125.39977    -0.10468
   98    93 S   CM   _C15    69     1.34371   128.10246   122.21006
   99    98 S   HC   _H17    70     1.08680   116.51534   178.13880
  100    95 S   CT   _C28    82     1.41664   111.07300  -158.29838
  101   100 S   HC   _H28    83     1.09246   109.54083   180.00000
  102   100 S   HC   _H29    84     1.09309   109.48799    59.19815
  103   100 S   HC   _H30    85     1.09207   108.96769   -60.42350
  104    96 S   N    _N5_    89     1.37315   110.29824   180.00000
  105   104 S   H    _H31    90     1.01451   119.26373   179.98022
  106   104 S   H    _H32    91     1.01467   121.37453    -0.00000
  107    98 S   CM   _C16    71     1.44765   126.29213    -3.12368
  108   107 S   HC   _H18    72     1.08623   114.64229   -12.79647
  109   107 S   CM   _C17    73     1.34834   126.55457   169.27406
  110   109 S   CD   _C18    74     1.50786   115.51474   177.01082
  111   110 S   OM   _O33    75     1.22679   122.66627     7.42217
  112   109 S   CT   _C27    77     1.50253   126.25437    -3.22404
  113   112 S   HC   _H25    78     1.08672   109.40661    90.01297
  114   112 S   HC   _H26    79     1.08754   109.39896   -30.18318
  115   112 S   HC   _H27    80     1.08721   109.33397  -149.78886
  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  10   5   4   3
  18   2   1   1  11   5   9   7   3   4   2   1   1   9   9   4
   6   8   4  12   5   4  12   8  14   6   5   4   2   1   1  14
   6  14   7   6  12   8   3   1   3   2   1   1  14   4   4   2
   1   1  12  16   7   5   2   1   1  13   6   7   8   4   5   4
   3   6   3   3   2   1   1   2   1   1   8   3   6   5   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    40    47    50    51    52    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    48    50    51    52    53    54    55    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    50    51    52    49    39    42  
   40    41    46    50    39  
   42    43    44    45    40    47    50    51    52  
   41    46    47    48    50   110    49  
   46    47    49  
   43    44    45    50  
   44    45  
   45  
    0  
   47    48    50    51    52   109   110   111    49  
   48    50    51    52    53    54    55   110    49  
   50    51    52    49  
  112    50   107   109   110   111  
   51    52    53    54    55    56    57    60  
   52    53    54    55  
   53    54    55    56    57    58    59    64    60    61    62    63  
   54    55    56    57    60  
   55    56    57    60  
   56    57    58    59    64    65    66    68    60    61    62    63  
   57    58    59    64    60    61    62    63  
   58    59    64    65    66    67    69    71    68    73    60    61    62    63  
   59    64    65    66    68    60  
   64    65    66    68    60  
   61    62    63    64  
   62    63  
   63  
    0  
   65    66    67    69    70    77    79    71    72    68    73    74    75    76  
   66    67    69    71    68    73  
   67    69    70    77    78    83    79    80    81    82    71    72    68    73  
   69    70    77    79    71    72    68  
   73    74    75    76    69    71  
   70    77    78    83    84    86    79    80    81    82    71    72  
   77    78    83    79    80    81    82    71  
   72    77    79  
    0  
   74    75    76  
   75    76  
   76  
    0  
   78    83    84    85    90    92    86    87    88    89    79    80    81    82  
   83    84    86    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85    90    91    93    95    92    96    86    87    88    89  
   85    90    91    93    94    98    95   100    92    96    97   104    86    87    88    89  
   90    91    93    95    92    96    86  
   87    88    89    90    92  
   88    89  
   89  
    0  
   91    93    94    98    99   107    95   100   101   102   103    92    96  
   93    94    98    95   100    92  
   96    97   104   105   106    93    95  
   94    98    99   107   108   109    95   100  
   98    99   107    95  
  100   101   102   103    98  
   97   104   105   106  
  104   105   106  
   99   107   108   109   110   112  
  107   108   109  
  101   102   103  
  102   103  
  103  
    0  
  105   106  
  106  
    0  
  108   109   110   111   112   113   114   115  
  109   110   112  
  110   111   112   113   114   115  
  111   112   113   114   115  
  112  
  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  -0.316400   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   0.396900   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   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.2800   0.1700  -0.912200   1.8540   1.6400   0.005000000   0.000000000
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   93   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   96   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   98   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   99   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  104   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
  105   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
  106   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
  107   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  108   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
  110   3.7500   0.1050   0.478000   2.0020   1.7750   0.023028004  -0.852763146
  111   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
  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   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    41   340.000  1.080
   40    46   549.000  1.340
   46    47   320.000  1.462
   46    49   405.000  1.380
   47    48   570.000  1.229
   47    50   317.000  1.522
   50    51   340.000  1.090
   50    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   320.000  1.410
   66    67   340.000  1.090
   66    69   268.000  1.529
   66    71   320.000  1.410
   69    70   340.000  1.090
   69    77   317.000  1.510
   69    79   268.000  1.529
   77    78   340.000  1.080
   77    83   549.000  1.340
   83    84   317.000  1.510
   83    86   317.000  1.510
   84    85   340.000  1.090
   84    90   268.000  1.529
   84    92   320.000  1.410
   90    91   340.000  1.090
   90    93   317.000  1.510
   90    95   320.000  1.410
   93    94   340.000  1.080
   93    98   549.000  1.340
   98    99   340.000  1.080
   98   107   380.000  1.444
  107   108   340.000  1.080
  107   109   549.000  1.340
  109   110   320.000  1.464
  109   112   317.000  1.510
  110   111   795.000  1.237
  110    49   500.000  1.261
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
   95   100   320.000  1.410
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   92    96   214.000  1.327
   96    97   570.000  1.229
   96   104   435.000  1.380
  104   105   434.000  1.010
  104   106   434.000  1.010
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   71    72   553.000  0.945
   68    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    50    47    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    52    58.35000  112.70000
   33    39    42    60.00000  109.50000
   37    40    41    40.00000  117.72500
   37    40    46    65.00000  118.96000
   40    37    38    80.00000  123.72100
   40    46    47    65.00000  118.96000
   40    46    49    70.00000  120.83400
   46    40    41    35.00000  120.00000
   46    47    48    80.00000  123.72100
   46    47    50    65.00000  118.62400
   46    49   110    75.00000  115.77100
   47    50    51    35.00000  109.50000
   47    50    52    63.00000  111.10000
   50    33    37    63.00000  111.10000
   50    47    48    80.00000  120.40000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    60    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    64    58.35000  112.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   57    55    56    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    66    58.35000  112.70000
   57    64    68    50.00000  109.50000
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    69    58.35000  112.70000
   64    66    71    50.00000  109.50000
   64    68    73    60.00000  109.50000
   66    64    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    77    70.00000  112.02700
   66    69    79    58.35000  112.70000
   66    71    72    55.00000  108.50000
   69    66    67    37.50000  110.70000
   69    77    78    35.00000  117.00000
   69    77    83    70.00000  124.00000
   69    79    80    37.50000  110.70000
   69    79    81    37.50000  110.70000
   69    79    82    37.50000  110.70000
   77    69    70    35.00000  109.50000
   77    83    84    70.00000  124.00000
   77    83    86    70.00000  124.00000
   83    77    78    35.00000  120.00000
   83    84    85    35.00000  109.50000
   83    84    90    70.00000  112.02700
   83    84    92    85.00000  110.90400
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   84    90    91    37.50000  110.70000
   84    90    93    70.00000  112.02700
   84    90    95    50.00000  109.50000
   84    92    96    83.00000  116.90000
   90    84    85    37.50000  110.70000
   90    93    94    35.00000  117.00000
   90    93    98    70.00000  124.00000
   90    95   100    60.00000  109.50000
   93    90    91    35.00000  109.50000
   93    98    99    35.00000  120.00000
   93    98   107    70.00000  123.01800
   98    93    94    35.00000  120.00000
   98   107   108    35.00000  120.00000
   98   107   109    70.00000  123.01800
  107    98    99    35.00000  120.00000
  107   109   110    60.00000  120.31500
  107   109   112    70.00000  124.00000
  109   107   108    35.00000  120.00000
  109   110   111    90.00000  107.08000
  109   110    49    70.00000  121.86000
  109   112   113    35.00000  109.50000
  109   112   114    35.00000  109.50000
  109   112   115    35.00000  109.50000
   49    46    47    85.00000  113.88000
   49   110   111    75.00000  134.47000
  112   109   110    65.00000  117.22000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
   95    90    91    35.00000  109.50000
   95    90    93    85.00000  110.90400
   95   100   101    35.00000  109.50000
   95   100   102    35.00000  109.50000
   95   100   103    35.00000  109.50000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   92    84    85    35.00000  109.50000
   92    84    90    50.00000  109.50000
   92    96    97    83.00000  123.40000
   92    96   104   110.00000  108.75700
   96   104   105    50.00000  116.34900
   96   104   106    50.00000  116.34900
  104    96    97    85.00000  125.96000
  106   104   105    35.00000  120.00000
   86    83    84    65.00000  117.92700
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   79    69    70    37.50000  110.70000
   79    69    77    70.00000  112.02700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    69    50.00000  109.50000
   68    64    65    35.00000  109.50000
   68    64    66    50.00000  109.50000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    50    50.00000  109.50000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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
   11    10    13    16  -0.11250  1.0 3.0
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   68    64    66    69   0.62750  1.0 1.0
   68    64    66    69  -0.30950 -1.0 2.0
   68    64    66    69   0.27300  1.0 3.0
   68    64    66    71   3.69350  1.0 1.0
   68    64    66    71  -1.82950 -1.0 2.0
   60    55    57    58   0.15000  1.0 3.0
   60    55    57    59   0.15000  1.0 3.0
   60    55    57    64   0.56750  1.0 1.0
   60    55    57    64  -0.07550 -1.0 2.0
   60    55    57    64   0.20000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    50    47  -0.09450  1.0 1.0
   39    33    50    47  -1.12950 -1.0 2.0
   39    33    50    47   0.54000  1.0 3.0
   39    33    50    51   0.23400  1.0 3.0
   39    33    50    52   0.62750  1.0 1.0
   39    33    50    52  -0.30950 -1.0 2.0
   39    33    50    52   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    41    40    46   1.10000 -1.0 2.0
   47    49    46    40   1.10000 -1.0 2.0
   46    50    47    48  10.50000 -1.0 2.0
   69    78    77    83   1.10000 -1.0 2.0
   84    86    83    77   1.10000 -1.0 2.0
   90    94    93    98   1.10000 -1.0 2.0
  107    99    98    93   1.10000 -1.0 2.0
   98   108   107   109   1.10000 -1.0 2.0
  110   112   109   107   1.10000 -1.0 2.0
  109   111   110    49  10.50000 -1.0 2.0
   92   104    96    97  10.50000 -1.0 2.0
  106    96   104   105   1.00000 -1.0 2.0
END
