* LIGAND DATABASE FILE (OPLS2005)
*
001     113   117    224    360     669
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02079   105.13648     2.42866
    3     1 S   H    _H1_     3     1.02089    46.36956   104.04305
    4     1 S   H    _H2_     4     1.02084    66.32931  -101.70714
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.67486    58.67070
   26    24 S   HC   HB22    34     1.08491   110.07674   179.26272
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.90519    95.50858  -158.10831
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CT   _C15    37     1.58551   108.62241  -160.02776
   38    37 S   HC   _H50    38     1.09476   107.99999  -179.21292
   39    33 S   CT   _C18    71     1.57857   104.14101   -42.47426
   40    39 S   HC   _H53    72     1.09819   110.14568    50.01990
   41    37 S   CT   _C12    39     1.54122   112.89789   -63.08817
   42    41 S   HC   _H44    40     1.09625   109.70856  -173.16488
   43    41 S   HC   _H45    41     1.09634   110.70211    70.18605
   44    37 S   CT   _C16    59     1.53780   110.95352    63.48606
   45    44 S   HC   _H51    60     1.09727   106.46766   -59.27943
   46    39 S   OH   _O38    73     1.42484   111.42049   167.11832
   47    46 S   HO   _H79    74     0.96966   106.58180  -173.48723
   48    41 S   CT   _C11    42     1.52766   112.28058   -52.82469
   49    48 S   HC   _H42    43     1.09663   109.47845   -70.73145
   50    48 S   HC   _H43    44     1.09676   108.56741   174.07712
   51    44 S   CT   _C13    61     1.53061   119.95370  -177.39030
   52    51 S   HC   _H46    62     1.09535   110.38523   -45.56325
   53    51 S   HC   _H47    63     1.09506   111.81929    75.10578
   54    48 S   CM   _C7_    45     1.51028   112.22990    50.65265
   55    51 S   CT   _C17    64     1.54657   103.63618  -163.79083
   56    55 S   HC   _H52    65     1.09478   109.95177   135.27802
   57    54 S   CM   _C5_    46     1.34223   120.34490   125.22399
   58    57 S   HC   _H40    47     1.08451   121.75975     0.84418
   59    55 S   CT   _C20    66     1.53291   106.66453    10.77236
   60    57 S   CO4  _C8_    48     1.47845   121.51280  -178.67973
   61    60 S   O    _O33    49     1.22682   121.02707  -179.33973
   62    44 S   CT   _C21    67     1.54710   113.38299    60.07730
   63    59 S   OS   _O37    79     1.42543   105.26581  -100.27411
   64    59 S   CO4  _C9_    90     1.50065   114.25852   143.54935
   65    64 S   O    _O34    91     1.22934   121.32831   -30.00650
   66    60 S   CM   _C4_    50     1.47556   117.99551     0.82496
   67    66 S   HC   _H39    51     1.08299   118.13047   179.40653
   68    62 S   CT   _C14    68     1.54361   108.17335   -59.83877
   69    68 S   HC   _H48    69     1.09658   109.62099   -68.82557
   70    68 S   HC   _H49    70     1.09798   109.18702   175.49250
   71    62 S   CT   _C25    75     1.55358   113.36216    62.62487
   72    71 S   HC   _H57    76     1.08003   108.52110    58.67607
   73    71 S   HC   _H58    77     1.08033   108.50750   -61.30201
   74    71 S   HC   _H59    78     1.07979   108.52230   178.66616
   75    63 S   CO   _C23    80     1.43104   106.85105   -19.13710
   76    64 S   CT   _C31    92     1.51402   116.25841   149.99248
   77    76 S   HC   _H75    93     1.09328   109.78064    60.03922
   78    76 S   HC   _H76    94     1.09334   109.04219   -60.20253
   79    66 S   CM   _C6_    52     1.33771   120.50866    -0.69154
   80    79 S   HC   _H41    53     1.08739   117.44846  -179.29169
   81    55 S   OS   _O36    81     1.42478   110.84298  -104.67570
   82    75 S   CT   _C26    82     1.52646   109.13446   133.25196
   83    82 S   HC   _H60    83     1.08889   109.84163   -60.17079
   84    82 S   HC   _H61    84     1.08858   109.85403   179.80416
   85    82 S   HC   _H62    85     1.08889   109.84663    59.81325
   86    75 S   CT   _C27    86     1.52397   109.02534  -106.06042
   87    86 S   HC   _H63    87     1.08967   109.98631    60.07797
   88    86 S   HC   _H64    88     1.09074   109.95316   -59.86554
   89    86 S   HC   _H65    89     1.08973   110.00009  -179.83807
   90    76 S   OS   _O39    95     1.41208   110.69727  -179.42393
   91    33 S   CT   _C19    54     1.60442   107.38642    80.99232
   92    90 S   CO4  _C10    96     1.37177   116.26238   180.00000
   93    92 S   O    _O35    97     1.22451   125.31702    -0.00000
   94    91 S   CT   _C24    55     1.55173   114.26151  -176.43059
   95    94 S   HC   _H54    56     1.08024   108.55683   -57.68728
   96    94 S   HC   _H55    57     1.08036   108.52399  -177.60952
   97    94 S   HC   _H56    58     1.07953   108.60396    62.37348
   98    92 S   CT   _C32    98     1.51162   110.81804   179.49798
   99    98 S   HC   _H77    99     1.09815   108.37666    30.47420
  100    98 S   HC   _H78   100     1.09843   106.90504   143.48991
  101    98 S   CT   _C33   101     1.54461   114.56532   -93.57816
  102   101 S   CT   _C28   102     1.54127   108.13534  -177.15938
  103   102 S   HC   _H66   103     1.09561   111.28638    59.28522
  104   102 S   HC   _H67   104     1.09602   111.12263   -60.65879
  105   102 S   HC   _H68   105     1.09552   111.15556   179.29779
  106   101 S   CT   _C29   106     1.53827   111.16617    63.84610
  107   106 S   HC   _H69   107     1.09496   111.61697   -61.20623
  108   106 S   HC   _H70   108     1.09617   111.15609    59.32435
  109   106 S   HC   _H71   109     1.09620   111.07503   179.19400
  110   101 S   CT   _C30   110     1.53747   111.14745   -58.17370
  111   110 S   HC   _H72   111     1.09541   111.07138    61.23170
  112   110 S   HC   _H73   112     1.09528   111.67281   -58.32761
  113   110 S   HC   _H74   113     1.09578   111.12671  -178.94001
  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  13   5   4   3
  27   2   1   1  24  10  15   7  12   6   5  20   8   6   1   9
   4   3  12   6   5  12  13   6   8   4  19   6   3  13  15  10
   4   5   3   7   2   1   3   2   1   1   9   6   3   2   6   2
   8   7   3   2   1   3   2   1   1   6   4   8   4   3   2   1
   1  15   5   4  12  11   4   3   2   7   3   2   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    91    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    54    79    91    94    44    68    39    40    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    48    54    57    66    79    80    91    94    95    96    97    44    45    51    62    68    69    70    39    40    46    47  
   35    36  
   36  
    0  
   38    41    42    43    48    49    50    54    79    91    94    44    45    51    52    53    55    59    62    68    39    40    46    71  
   41    42    43    48    91    44    45    51    62    39  
   40    46    47    71    41    44    54    59    62    68    69    70    79    91    94  
   46    47    62    68    69    70    91  
   42    43    48    49    50    54    57    91    44    45    51    62  
   43    48    49    50    54    44  
   48    49    50    54    44  
   45    51    52    53    55    56    59    62    68    69    70    71    72    73    74    63    81    64    48    91  
   51    52    53    55    59    62    68    71  
   47    62    68    69    70    91  
   68  
   49    50    54    57    58    60    79    91    94  
   50    54    57    91  
   54    57    91  
   52    53    55    56    59    62    68    71    63    75    81    64  
   53    55    56    59    62    81  
   55    56    59    62    81  
   57    58    60    61    66    79    80    91    94    95    96    97  
   56    59    62    68    71    63    75    81    82    86    64    65    76  
   59    62    63    75    81    64  
   58    60    61    66    67    79    91    94  
   60    61    66    91  
   62    68    69    70    71    72    73    74    63    75    81    82    86    64    65    76    77    78    90  
   61    66    67    79    80    91  
   66    67    79  
   68    69    70    71    72    73    74    63    75    81    64    65    76  
   75    81    82    83    84    85    86    87    88    89    64    65    76    68    71  
   65    76    77    78    90    92    68    71    75    81  
   76    77    78    90  
   67    79    80    91    94  
   79    80    91  
   69    70    71    72    73    74    91  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    0  
   81    82    83    84    85    86    87    88    89  
   77    78    90    92    93    98  
   78    90    92  
   90    92  
   80    91    94    95    96    97  
   91    94  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    0  
   92    93    98    99   100   101  
   94    95    96    97  
   93    98    99   100   101   102   106   110  
   98    99   100   101  
   95    96    97  
   96    97  
   97  
    0  
   99   100   101   102   103   104   105   106   107   108   109   110   111   112   113  
  100   101   102   106   110  
  101   102   106   110  
  102   103   104   105   106   107   108   109   110   111   112   113  
  103   104   105   106   107   108   109   110   111   112   113  
  104   105   106   110  
  105   106   110  
  106   110  
  107   108   109   110   111   112   113  
  108   109   110  
  109   110  
  110  
  111   112   113  
  112   113  
  113  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.7500   0.1050   0.374000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.115000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.030000   1.3810   1.2100   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  102   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   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   268.000  1.529
   33    91   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    57   549.000  1.340
   54    91   317.000  1.510
   57    58   340.000  1.080
   57    60   320.000  1.462
   60    61   570.000  1.229
   60    66   320.000  1.462
   66    67   340.000  1.080
   66    79   549.000  1.340
   79    80   340.000  1.080
   79    91   317.000  1.510
   91    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    62   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    81   320.000  1.410
   59    62   268.000  1.529
   59    63   320.000  1.410
   59    64   317.000  1.522
   62    68   268.000  1.529
   62    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    39   268.000  1.529
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   63    75   320.000  1.380
   75    81   320.000  1.380
   75    82   250.000  1.527
   75    86   250.000  1.527
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   64    65   570.000  1.229
   64    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    90   320.000  1.410
   90    92   214.000  1.327
   92    93   570.000  1.229
   92    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   268.000  1.529
  101   106   268.000  1.529
  101   110   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   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  111.63000
   29    33    91    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    91    54    70.00000  112.02700
   33    91    79    70.00000  112.02700
   33    91    94    58.35000  112.70000
   33    39    68    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    44    45    37.50000  110.70000
   37    44    51    58.35000  112.70000
   37    44    62    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    54    70.00000  112.02700
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    54    57    70.00000  124.00000
   48    54    91    65.00000  117.92700
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    57    58    35.00000  120.00000
   54    57    60    65.00000  118.96000
   54    91    79    70.00000  110.12100
   54    91    94    70.00000  112.02700
   57    60    61    80.00000  123.72100
   57    60    66    65.00000  118.65900
   60    57    58    40.00000  117.72500
   60    66    67    40.00000  117.72500
   60    66    79    65.00000  118.96000
   66    60    61    80.00000  123.72100
   66    79    80    35.00000  120.00000
   66    79    91    70.00000  124.00000
   79    66    67    35.00000  120.00000
   79    91    94    70.00000  112.02700
   91    33    37    58.35000  112.70000
   91    54    57    70.00000  124.00000
   91    79    80    35.00000  117.00000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    97    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    55    58.35000  112.70000
   44    62    59    58.35000  112.70000
   44    62    68    58.35000  112.70000
   44    62    71    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    59    58.35000  112.70000
   51    55    81    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    59    62    58.35000  112.70000
   55    59    63    50.00000  109.50000
   55    59    64    63.00000  111.10000
   55    81    75    60.00000  109.50000
   59    55    56    37.50000  110.70000
   59    62    68    58.35000  112.70000
   59    62    71    58.35000  112.70000
   59    63    75    60.00000  109.50000
   59    64    65    80.00000  120.40000
   59    64    76    70.00000  116.00000
   62    44    45    37.50000  110.70000
   62    44    51    58.35000  112.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    39    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    73    37.50000  110.70000
   62    71    74    37.50000  110.70000
   68    39    40    37.50000  110.70000
   68    39    46    50.00000  109.50000
   70    68    69    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    91    58.35000  112.70000
   39    68    69    37.50000  110.70000
   39    68    70    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   71    62    68    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   63    59    62    50.00000  109.50000
   63    75    81    92.60000  111.55000
   63    75    82    90.00000  108.56700
   63    75    86    90.00000  108.56700
   75    82    83    45.00000  108.72000
   75    82    84    45.00000  108.72000
   75    82    85    45.00000  108.72000
   75    86    87    45.00000  108.72000
   75    86    88    45.00000  108.72000
   75    86    89    45.00000  108.72000
   81    55    56    35.00000  109.50000
   81    55    59    50.00000  109.50000
   82    75    81    90.00000  108.56700
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    75    81    90.00000  108.56700
   86    75    82    65.00000  112.71400
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   64    59    62    63.00000  111.10000
   64    59    63    90.00000  108.74100
   64    76    77    35.00000  109.50000
   64    76    78    35.00000  109.50000
   64    76    90    90.00000  108.74100
   76    64    65    80.00000  120.40000
   76    90    92    83.00000  116.90000
   78    76    77    33.00000  107.80000
   90    76    77    35.00000  109.50000
   90    76    78    35.00000  109.50000
   90    92    93    83.00000  123.40000
   90    92    98    81.00000  111.40000
   92    98    99    35.00000  109.50000
   92    98   100    35.00000  109.50000
   92    98   101    63.00000  111.10000
   98    92    93    80.00000  120.40000
   98   101   102    58.35000  112.70000
   98   101   106    58.35000  112.70000
   98   101   110    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   102   103    37.50000  110.70000
  101   102   104    37.50000  110.70000
  101   102   105    37.50000  110.70000
  101   106   107    37.50000  110.70000
  101   106   108    37.50000  110.70000
  101   106   109    37.50000  110.70000
  101   110   111    37.50000  110.70000
  101   110   112    37.50000  110.70000
  101   110   113    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   101   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  110   101   102    58.35000  112.70000
  110   101   106    58.35000  112.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    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
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   62    44   -51    55   0.20000  1.0 3.0
   62    59    63    75   0.06250  1.0 1.0
   62    59    63    75  -0.01100 -1.0 2.0
   62    59    63    75   0.28050  1.0 3.0
   62    59    64    65   0.30150 -1.0 2.0
   62    59    64    76   0.60050  1.0 1.0
   62    59    64    76   0.05600 -1.0 2.0
   62    59    64    76   0.26150  1.0 3.0
   62    68   -39    33   0.56750  1.0 1.0
   62    68   -39    33  -0.07550 -1.0 2.0
   62    68   -39    33   0.20000  1.0 3.0
   62    68    39    40   0.15000  1.0 3.0
   62    68    39    46   0.86500  1.0 1.0
   62    68    39    46  -0.17500 -1.0 2.0
   62    68    39    46   0.20800  1.0 3.0
   68    62    71    72   0.15000  1.0 3.0
   68    62    71    73   0.15000  1.0 3.0
   68    62    71    74   0.15000  1.0 3.0
   68    39    46    47  -0.11600  1.0 1.0
   68    39    46    47  -0.09450 -1.0 2.0
   68    39    46    47   0.21250  1.0 3.0
   69    68    39    33   0.15000  1.0 3.0
   69    68    39    40   0.15000  1.0 3.0
   69    68    39    46   0.23400  1.0 3.0
   70    68    39    33   0.15000  1.0 3.0
   70    68    39    40   0.15000  1.0 3.0
   70    68    39    46   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41   0.56750  1.0 1.0
   39    33    37    41  -0.07550 -1.0 2.0
   39    33    37    41   0.20000  1.0 3.0
   39    33   -37    44   0.56750  1.0 1.0
   39    33   -37    44  -0.07550 -1.0 2.0
   39    33   -37    44   0.20000  1.0 3.0
   39    33    91    54   0.34400  1.0 1.0
   39    33    91    54   0.09450 -1.0 2.0
   39    33    91    54   0.11100  1.0 3.0
   39    33    91    79   0.34400  1.0 1.0
   39    33    91    79   0.09450 -1.0 2.0
   39    33    91    79   0.11100  1.0 3.0
   39    33    91    94   0.56750  1.0 1.0
   39    33    91    94  -0.07550 -1.0 2.0
   39    33    91    94   0.20000  1.0 3.0
   40    39    46    47   0.19450  1.0 3.0
   71    62    68    69   0.15000  1.0 3.0
   71    62    68    70   0.15000  1.0 3.0
   71    62    68    39   0.56750  1.0 1.0
   71    62    68    39  -0.07550 -1.0 2.0
   71    62    68    39   0.20000  1.0 3.0
   63    59    62    44   0.62750  1.0 1.0
   63    59    62    44  -0.30950 -1.0 2.0
   63    59    62    44   0.27300  1.0 3.0
   63    59    62    68   0.62750  1.0 1.0
   63    59    62    68  -0.30950 -1.0 2.0
   63    59    62    68   0.27300  1.0 3.0
   63    59    62    71   0.62750  1.0 1.0
   63    59    62    71  -0.30950 -1.0 2.0
   63    59    62    71   0.27300  1.0 3.0
   63    59    64    65   0.30150 -1.0 2.0
   63    59    64    76   0.55300  1.0 1.0
   63    59    64    76   1.25850 -1.0 2.0
   63    59    64    76  -0.23600  1.0 3.0
   63    75   -81    55  -0.53350  1.0 1.0
   63    75   -81    55  -0.78350 -1.0 2.0
   63    75   -81    55   0.33750  1.0 3.0
   63    75    82    83   0.23400  1.0 3.0
   63    75    82    84   0.23400  1.0 3.0
   63    75    82    85   0.23400  1.0 3.0
   63    75    86    87   0.23400  1.0 3.0
   63    75    86    88   0.23400  1.0 3.0
   63    75    86    89   0.23400  1.0 3.0
   81    55    59    62   0.62750  1.0 1.0
   81    55    59    62  -0.30950 -1.0 2.0
   81    55    59    62   0.27300  1.0 3.0
   81    55   -59    63   1.11900  1.0 1.0
   81    55   -59    63  -1.16350 -1.0 2.0
   81    55   -59    63  -0.34150  1.0 3.0
   81    55    59    64  -0.09450  1.0 1.0
   81    55    59    64  -1.12950 -1.0 2.0
   81    55    59    64   0.54000  1.0 3.0
   81    75    82    83   0.23400  1.0 3.0
   81    75    82    84   0.23400  1.0 3.0
   81    75    82    85   0.23400  1.0 3.0
   81    75    86    87   0.23400  1.0 3.0
   81    75    86    88   0.23400  1.0 3.0
   81    75    86    89   0.23400  1.0 3.0
   82    75    81    55   0.06250  1.0 1.0
   82    75    81    55  -0.01100 -1.0 2.0
   82    75    81    55   0.28050  1.0 3.0
   82    75    86    87   0.15000  1.0 3.0
   82    75    86    88   0.15000  1.0 3.0
   82    75    86    89   0.15000  1.0 3.0
   86    75    81    55   0.06250  1.0 1.0
   86    75    81    55  -0.01100 -1.0 2.0
   86    75    81    55   0.28050  1.0 3.0
   86    75    82    83   0.15000  1.0 3.0
   86    75    82    84   0.15000  1.0 3.0
   86    75    82    85   0.15000  1.0 3.0
   64    59    62    44  -0.95700  1.0 1.0
   64    59    62    44  -0.18200 -1.0 2.0
   64    59    62    44   0.29450  1.0 3.0
   64    59    62    68  -0.95700  1.0 1.0
   64    59    62    68  -0.18200 -1.0 2.0
   64    59    62    68   0.29450  1.0 3.0
   64    59    62    71  -0.95700  1.0 1.0
   64    59    62    71  -0.18200 -1.0 2.0
   64    59    62    71   0.29450  1.0 3.0
   64    59    63    75  -1.11000  1.0 1.0
   64    59    63    75   0.50250 -1.0 2.0
   64    59    63    75   0.47450  1.0 3.0
   64    76    90    92  -1.80650  1.0 1.0
   64    76    90    92   0.63900 -1.0 2.0
   64    76    90    92   0.03650  1.0 3.0
   65    64    76    77   0.00000  1.0 1.0
   65    64    76    78   0.00000  1.0 1.0
   65    64    76    90   0.30150 -1.0 2.0
   76    90    92    93   3.00000 -1.0 2.0
   76    90    92    98   1.63150  1.0 1.0
   76    90    92    98   2.92000 -1.0 2.0
   77    76    90    92   0.08050  1.0 3.0
   78    76    90    92   0.08050  1.0 3.0
   90    92    98    99   0.00000  1.0 1.0
   90    92    98   100   0.00000  1.0 1.0
   90    92    98   101   0.36750  1.0 3.0
   92    98   101   102  -0.95700  1.0 1.0
   92    98   101   102  -0.18200 -1.0 2.0
   92    98   101   102   0.29450  1.0 3.0
   92    98   101   106  -0.95700  1.0 1.0
   92    98   101   106  -0.18200 -1.0 2.0
   92    98   101   106   0.29450  1.0 3.0
   92    98   101   110  -0.95700  1.0 1.0
   92    98   101   110  -0.18200 -1.0 2.0
   92    98   101   110   0.29450  1.0 3.0
   93    92    98    99   0.00000  1.0 1.0
   93    92    98   100   0.00000  1.0 1.0
   93    92    98   101   0.30150 -1.0 2.0
   98   101   102   103   0.15000  1.0 3.0
   98   101   102   104   0.15000  1.0 3.0
   98   101   102   105   0.15000  1.0 3.0
   98   101   106   107   0.15000  1.0 3.0
   98   101   106   108   0.15000  1.0 3.0
   98   101   106   109   0.15000  1.0 3.0
   98   101   110   111   0.15000  1.0 3.0
   98   101   110   112   0.15000  1.0 3.0
   98   101   110   113   0.15000  1.0 3.0
   99    98   101   102   0.15000  1.0 3.0
   99    98   101   106   0.15000  1.0 3.0
   99    98   101   110   0.15000  1.0 3.0
  100    98   101   102   0.15000  1.0 3.0
  100    98   101   106   0.15000  1.0 3.0
  100    98   101   110   0.15000  1.0 3.0
  102   101   106   107   0.15000  1.0 3.0
  102   101   106   108   0.15000  1.0 3.0
  102   101   106   109   0.15000  1.0 3.0
  102   101   110   111   0.15000  1.0 3.0
  102   101   110   112   0.15000  1.0 3.0
  102   101   110   113   0.15000  1.0 3.0
  106   101   102   103   0.15000  1.0 3.0
  106   101   102   104   0.15000  1.0 3.0
  106   101   102   105   0.15000  1.0 3.0
  106   101   110   111   0.15000  1.0 3.0
  106   101   110   112   0.15000  1.0 3.0
  106   101   110   113   0.15000  1.0 3.0
  110   101   102   103   0.15000  1.0 3.0
  110   101   102   104   0.15000  1.0 3.0
  110   101   102   105   0.15000  1.0 3.0
  110   101   106   107   0.15000  1.0 3.0
  110   101   106   108   0.15000  1.0 3.0
  110   101   106   109   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   48    91    54    57   1.10000 -1.0 2.0
   60    58    57    54   1.10000 -1.0 2.0
   57    66    60    61  10.50000 -1.0 2.0
   60    67    66    79   1.10000 -1.0 2.0
   91    80    79    66   1.10000 -1.0 2.0
   59    76    64    65  10.50000 -1.0 2.0
   90    98    92    93  10.50000 -1.0 2.0
END
