* LIGAND DATABASE FILE (OPLS2005)
*
001      99   106    192    344     589
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02078   104.54446   -34.04319
    3     1 S   H    _H1_     3     1.02078    68.24399    70.59368
    4     1 S   H    _H2_     4     1.02091    44.72835  -136.07390
    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     1.08519   110.61667    58.74867
   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     1.86323    96.84317  -178.14607
   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   CM   _C23    37     1.69921   111.49265  -180.00000
   38    33 S   CT   _C20    88     1.73620   111.98906   -50.63208
   39    38 S   HC   _H7_    89     1.09388   111.23526    63.23958
   40    33 S   OH   _O37    98     1.43952   105.02164    65.22914
   41    40 S   HO   _H16    99     0.96614   105.72790   -61.74277
   42    37 S   CM   _C24    38     1.35064   122.54366   -61.52054
   43    42 S   CA   _C8_    39     1.47935   120.68647  -167.40291
   44    42 S   OH   _O36    96     1.37930   123.13484     5.54535
   45    44 S   HO   _H15    97     0.96267   109.84417     6.76576
   46    43 S   CA   _C9_    40     1.40908   120.67128    19.71079
   47    46 S   CA   _C10    41     1.39816   121.52762   175.21054
   48    46 S   CO4  _C11    54     1.47943   119.01728    -5.88543
   49    48 S   O    _O34    55     1.22329   122.40176   153.39777
   50    47 S   CA   _C5_    42     1.39184   119.46810     0.75718
   51    47 S   OH   _O33    52     1.36360   121.62090   179.22217
   52    51 S   HO   _H13    53     0.97015   110.19507    -0.06256
   53    37 S   CT   _C12    56     1.60978   119.27781   129.54474
   54    50 S   CA   _C6_    43     1.39348   120.00873    -0.07913
   55    54 S   HA   _H12    44     1.08837   119.94582   179.51141
   56    50 S   CT   _C4_    48     1.49368   120.92490   179.43421
   57    56 S   HC   _H9_    49     1.09579   110.25786   -89.56681
   58    56 S   HC   _H10    50     1.09675   111.17370    30.90378
   59    56 S   HC   _H11    51     1.09672   111.18349   149.96147
   60    53 S   CT   _C16    57     1.77730   132.38589   -78.15535
   61    60 S   HC   _H6_    58     1.09445   113.04560  -118.47921
   62    53 S   CT   _C13    84     1.42680    95.13616     9.63509
   63    62 S   HC   _H3_    85     1.10013   103.86766   162.13301
   64    43 S   CA   _C7_    45     1.40214   121.30451  -164.48224
   65    60 S   CO4  _C17    59     1.76034   118.63463   106.52164
   66    65 S   O    _O42    60     1.26243   109.04949   125.10206
   67    62 S   CT   _C21    86     1.49593   140.24178    41.38963
   68    67 S   HC   _H8_    87     1.09722   112.21254   153.13346
   69    60 S   CT   _C15    92     1.47121    99.32998     4.33278
   70    69 S   HC   _H5_    93     1.09680   110.52183   -63.41221
   71    64 S   OH   _O44    46     1.36540   122.42445     5.60927
   72    71 S   HO   _H24    47     0.96875   110.02978   178.60450
   73    65 S   CM   _C18    61     1.41328   117.60069   -55.08753
   74    67 S   OH   _O35    90     1.40033   113.58606    30.77983
   75    74 S   HO   _H14    91     0.97672   107.89145    60.00695
   76    69 S   OH   _O43    94     1.40463   117.70112   171.13816
   77    76 S   HO   _H23    95     0.97605   107.69511   179.96574
   78    73 S   CMA  _C33    62     1.48999   121.73734  -179.71884
   79    78 S   OM   _O41    63     1.22487   120.93938   -26.92307
   80    78 S   CA   _C27    64     1.48794   116.73935   153.31747
   81    80 S   CA   _C26    65     1.40295   122.61980    -1.29347
   82    81 S   CA   _C31    66     1.39985   120.39078  -176.80194
   83    81 S   CO4  _C25    79     1.47869   120.89200     4.01327
   84    83 S   O    _O38    80     1.22424   122.10736  -158.60853
   85    82 S   CA   _C30    67     1.39391   119.89806    -0.58751
   86    82 S   OH   _O39    77     1.36431   121.85722  -179.13634
   87    86 S   HO   _H18    78     0.96853   110.11985     0.07913
   88    73 S   CT   _C19    81     1.59308   124.10909    -1.06514
   89    85 S   CA   _C29    68     1.39317   120.05700     0.11191
   90    89 S   HA   _H17    69     1.08807   119.98403  -179.89532
   91    85 S   CT   _C32    73     1.49393   120.94454  -179.64834
   92    91 S   HC   _H19    74     1.09576   110.28910   -90.28868
   93    91 S   HC   _H20    75     1.09657   111.12580    30.26592
   94    91 S   HC   _H21    76     1.09706   111.15994   149.18508
   95    88 S   CT   _C14    82     1.43012    93.07021    -7.17061
   96    95 S   HC   _H4_    83     1.07922   106.51881  -163.22167
   97    80 S   CA   _C28    70     1.40139   118.20913  -178.74977
   98    97 S   OH   _O40    71     1.36484   122.95999    -2.49905
   99    98 S   HO   _H22    72     0.96989   110.07048    -0.16313
  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
  19   2   1   1  22  21   9   5   1  12  14   4   1  13  13  13
   3  10   3   1  16   8   3   4   2   1   1  15   8  14   7   2
  11   4   9   4   8   5   1   1  10   3   1   4   1  10   4  12
  12  13   7   2  10   3   1   2   8   3   4   2   1   1   1   1
   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    53    88    67    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    48    53    60    73    83    88    95    62    67    68    38    39    74    44    40    41  
   35    36  
   36  
    0  
   42    43    46    64    48    49    53    60    61    65    88    95    62    63    67    38    39    69    44    45    40    41  
   39    74    75    69    40    41    42    53    62    63    65    67    68    73    78    81    83    84    88    95    96  
   74    40    62    67    68    73    83    88    95  
   41    42    53    67    88  
    0  
   43    46    47    54    64    71    48    53    60    62    44    45  
   46    47    50    54    55    64    71    72    51    48    49    53    44    45  
   45    46    53    64  
    0  
   47    50    54    64    71    56    51    52    48    49    53    60    62  
   50    54    55    64    56    57    58    59    51    52    48    49    53  
   49    53    60    61    65    95    62    63    67    69    50    51    64  
   53    60    62  
   54    55    64    71    56    57    58    59    51    52  
   52    54    56  
    0  
   60    61    65    66    73    88    95    96    62    63    67    68    74    69    70    76  
   55    64    71    72    56    57    58    59  
   64    71    56  
   57    58    59    64  
   58    59  
   59  
    0  
   61    65    66    73    78    88    95    96    62    63    67    69    70    76    77  
   65    66    73    95    62    69    70    76  
   63    67    68    74    75    69    70    76    65    73    83    88    95    96  
   67    68    74    69    88    95    96  
   71    72  
   66    73    78    79    80    83    88    95    69    70    76  
   73    78    88    69  
   68    74    75    69    73    83    88    95    96  
   74    75    88    95  
   70    76    77    73    83    88    95    96  
   76    77    88    95    96  
   72  
    0  
   78    79    80    81    97    83    84    88    95    96  
   75    88    95  
    0  
   77    88    95    96  
   95  
   79    80    81    82    89    97    98    83    88    95  
   80    81    97    88  
   81    82    85    89    90    97    98    99    86    83    84    88  
   82    85    89    97    98    91    86    87    83    84    88    95  
   85    89    90    97    91    92    93    94    86    87    83    84    88  
   84    88    95    96    85    86    97  
   88    95  
   89    90    97    98    91    92    93    94    86    87  
   87    89    91  
    0  
   95    96  
   90    97    98    99    91    92    93    94  
   97    98    91  
   92    93    94    97  
   93    94  
   94  
    0  
   96  
    0  
   98    99  
   99  
    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   0.432500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   79   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   80   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   98   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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  1.510
   33    38   268.000  1.529
   33    40   320.000  1.410
   37    42   549.000  1.340
   37    53   317.000  1.510
   42    43   320.000  1.460
   42    44   510.000  1.338
   43    46   469.000  1.400
   43    64   469.000  1.400
   46    47   469.000  1.400
   46    48   310.000  1.470
   47    50   469.000  1.400
   47    51   450.000  1.364
   50    54   469.000  1.400
   50    56   317.000  1.510
   54    55   367.000  1.080
   54    64   469.000  1.400
   64    71   450.000  1.364
   71    72   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   51    52   553.000  0.945
   48    49   570.000  1.229
   48    53   317.000  1.522
   53    60   268.000  1.529
   53    62   268.000  1.529
   60    61   340.000  1.090
   60    65   317.000  1.522
   60    69   268.000  1.529
   65    66   570.000  1.229
   65    73   320.000  1.462
   73    78   465.000  1.376
   73    88   317.000  1.510
   78    79   745.000  1.250
   78    80   320.000  1.460
   80    81   469.000  1.400
   80    97   469.000  1.400
   81    82   469.000  1.400
   81    83   310.000  1.470
   82    85   469.000  1.400
   82    86   450.000  1.364
   85    89   469.000  1.400
   85    91   317.000  1.510
   89    90   367.000  1.080
   89    97   469.000  1.400
   97    98   450.000  1.364
   98    99   553.000  0.945
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   86    87   553.000  0.945
   83    84   570.000  1.229
   83    88   317.000  1.522
   88    95   268.000  1.529
   88    38   268.000  1.529
   95    96   340.000  1.090
   95    62   268.000  1.529
   95    69   268.000  1.529
   62    63   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    38   268.000  1.529
   67    74   320.000  1.410
   38    39   340.000  1.090
   74    75   553.000  0.945
   69    70   340.000  1.090
   69    76   320.000  1.410
   76    77   553.000  0.945
   44    45   553.000  0.945
   40    41   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    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  112.20000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    53    65.00000  117.92700
   33    38    88    58.35000  112.70000
   33    38    67    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    40    41    55.00000  108.50000
   37    42    43    60.00000  123.20500
   37    42    44    80.00000  121.38400
   37    53    48    70.00000  109.06800
   37    53    60    70.00000  112.02700
   37    53    62    70.00000  112.02700
   42    43    46    60.00000  120.93500
   42    43    64    60.00000  120.93500
   42    44    45    70.00000  107.45700
   43    46    47    63.00000  120.00000
   43    46    48    60.00000  119.52600
   43    64    54    63.00000  120.00000
   43    64    71    70.00000  120.00000
   46    47    50    63.00000  120.00000
   46    47    51    70.00000  120.00000
   46    48    49    75.00000  123.78400
   46    48    53    65.00000  115.47100
   47    50    54    63.00000  120.00000
   47    50    56    70.00000  120.00000
   47    51    52    35.00000  113.00000
   50    54    55    35.00000  120.00000
   50    54    64    63.00000  120.00000
   50    56    57    35.00000  109.50000
   50    56    58    35.00000  109.50000
   50    56    59    35.00000  109.50000
   54    64    71    70.00000  120.00000
   64    43    46    63.00000  120.00000
   64    54    55    35.00000  120.00000
   64    71    72    35.00000  113.00000
   56    50    54    70.00000  120.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   51    47    50    70.00000  120.00000
   48    46    47    60.00000  119.52600
   48    53    60    63.00000  111.10000
   48    53    62    63.00000  111.10000
   53    37    42    70.00000  124.00000
   53    48    49    80.00000  120.40000
   53    60    61    37.50000  110.70000
   53    60    65    63.00000  111.10000
   53    60    69    58.35000  112.70000
   53    62    95    58.35000  112.70000
   53    62    63    37.50000  110.70000
   53    62    67    58.35000  112.70000
   60    65    66    80.00000  120.40000
   60    65    73    65.00000  118.62400
   60    69    95    58.35000  112.70000
   60    69    70    37.50000  110.70000
   60    69    76    50.00000  109.50000
   65    60    61    35.00000  109.50000
   65    73    78    60.00000  125.92000
   65    73    88    65.00000  116.34900
   73    65    66    80.00000  123.72100
   73    78    79    65.00000  137.10300
   73    78    80    60.00000  123.20500
   73    88    83    70.00000  109.06800
   73    88    95    70.00000  112.02700
   73    88    38    70.00000  112.02700
   78    80    81    60.00000  120.93500
   78    80    97    60.00000  120.93500
   80    78    79    85.00000  114.86500
   80    81    82    63.00000  120.00000
   80    81    83    60.00000  119.52600
   80    97    89    63.00000  120.00000
   80    97    98    70.00000  120.00000
   81    82    85    63.00000  120.00000
   81    82    86    70.00000  120.00000
   81    83    84    75.00000  123.78400
   81    83    88    65.00000  115.47100
   82    85    89    63.00000  120.00000
   82    85    91    70.00000  120.00000
   82    86    87    35.00000  113.00000
   85    89    90    35.00000  120.00000
   85    89    97    63.00000  120.00000
   85    91    92    35.00000  109.50000
   85    91    93    35.00000  109.50000
   85    91    94    35.00000  109.50000
   89    97    98    70.00000  120.00000
   97    80    81    63.00000  120.00000
   97    89    90    35.00000  120.00000
   97    98    99    35.00000  113.00000
   91    85    89    70.00000  120.00000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   86    82    85    70.00000  120.00000
   83    81    82    60.00000  119.52600
   83    88    95    63.00000  111.10000
   83    88    38    63.00000  111.10000
   88    73    78    70.00000  124.00000
   88    83    84    80.00000  120.40000
   88    95    96    37.50000  110.70000
   88    95    62    58.35000  112.70000
   88    95    69    58.35000  112.70000
   88    38    67    58.35000  112.70000
   88    38    39    37.50000  110.70000
   95    62    63    37.50000  110.70000
   95    62    67    58.35000  112.70000
   95    69    70    37.50000  110.70000
   95    69    76    50.00000  109.50000
   62    53    60    58.35000  112.70000
   62    95    96    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    38    58.35000  112.70000
   62    67    74    50.00000  109.50000
   67    62    63    37.50000  110.70000
   67    38    39    37.50000  110.70000
   67    74    75    55.00000  108.50000
   38    33    37    70.00000  112.02700
   38    88    95    58.35000  112.70000
   38    67    68    37.50000  110.70000
   74    67    68    35.00000  109.50000
   74    67    38    50.00000  109.50000
   69    60    61    37.50000  110.70000
   69    60    65    63.00000  111.10000
   69    95    96    37.50000  110.70000
   69    95    62    58.35000  112.70000
   69    76    77    55.00000  108.50000
   76    69    70    35.00000  109.50000
   44    42    43    85.00000  114.86500
   40    33    37    90.00000  110.39200
   40    33    38    50.00000  109.50000
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
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
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   63    62    67    68   0.15000  1.0 3.0
   63    62    67    38   0.15000  1.0 3.0
   63    62    67    74   0.23400  1.0 3.0
   68    67    38    33   0.15000  1.0 3.0
   68    67    38    88   0.15000  1.0 3.0
   68    67    38    39   0.15000  1.0 3.0
   68    67    74    75   0.19450  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33   -37    53   0.46850  1.0 1.0
   38    33   -37    53   0.08550 -1.0 2.0
   38    33   -37    53   0.09800  1.0 3.0
   38    33    40    41  -0.11600  1.0 1.0
   38    33    40    41  -0.09450 -1.0 2.0
   38    33    40    41   0.21250  1.0 3.0
   38    88    95    96   0.15000  1.0 3.0
   38    88   -95    62   0.56750  1.0 1.0
   38    88   -95    62  -0.07550 -1.0 2.0
   38    88   -95    62   0.20000  1.0 3.0
   38    88    95    69   0.56750  1.0 1.0
   38    88    95    69  -0.07550 -1.0 2.0
   38    88    95    69   0.20000  1.0 3.0
   38    67    74    75  -0.11600  1.0 1.0
   38    67    74    75  -0.09450 -1.0 2.0
   38    67    74    75   0.21250  1.0 3.0
   74    67    38    33   0.86500  1.0 1.0
   74    67    38    33  -0.17500 -1.0 2.0
   74    67    38    33   0.20800  1.0 3.0
   74    67    38    88   0.86500  1.0 1.0
   74    67    38    88  -0.17500 -1.0 2.0
   74    67    38    88   0.20800  1.0 3.0
   74    67    38    39   0.23400  1.0 3.0
   69    60    65    66   0.30150 -1.0 2.0
   69    60   -65    73   0.65300  1.0 1.0
   69    60   -65    73  -0.03850 -1.0 2.0
   69    60   -65    73   0.33900  1.0 3.0
   69    95   -62    53   0.56750  1.0 1.0
   69    95   -62    53  -0.07550 -1.0 2.0
   69    95   -62    53   0.20000  1.0 3.0
   69    95    62    63   0.15000  1.0 3.0
   69    95    62    67   0.56750  1.0 1.0
   69    95    62    67  -0.07550 -1.0 2.0
   69    95    62    67   0.20000  1.0 3.0
   70    69    76    77   0.19450  1.0 3.0
   44    42    43    46  -0.01750  1.0 1.0
   44    42    43    46  -0.32000 -1.0 2.0
   44    42    43    46   0.00600  1.0 3.0
   44    42    43    64  -0.01750  1.0 1.0
   44    42    43    64  -0.32000 -1.0 2.0
   44    42    43    64   0.00600  1.0 3.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    53   0.18000  1.0 1.0
   40    33    37    53   0.16450 -1.0 2.0
   40    33    37    53   0.04450  1.0 3.0
   40    33    38    88   0.86500  1.0 1.0
   40    33    38    88  -0.17500 -1.0 2.0
   40    33    38    88   0.20800  1.0 3.0
   40    33    38    67   0.86500  1.0 1.0
   40    33    38    67  -0.17500 -1.0 2.0
   40    33    38    67   0.20800  1.0 3.0
   40    33    38    39   0.23400  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    53    37    42   1.10000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   46    64    43    42   4.00000 -1.0 2.0
   47    48    46    43   4.00000 -1.0 2.0
   50    51    47    46   4.00000 -1.0 2.0
   54    56    50    47   4.00000 -1.0 2.0
   64    55    54    50   1.10000 -1.0 2.0
   54    71    64    43   4.00000 -1.0 2.0
   46    53    48    49  10.50000 -1.0 2.0
   60    73    65    66  10.50000 -1.0 2.0
   65    88    73    78   1.10000 -1.0 2.0
   80    79    78    73   1.10000 -1.0 2.0
   81    97    80    78   4.00000 -1.0 2.0
   82    83    81    80   4.00000 -1.0 2.0
   85    86    82    81   4.00000 -1.0 2.0
   89    91    85    82   4.00000 -1.0 2.0
   97    90    89    85   1.10000 -1.0 2.0
   89    98    97    80   4.00000 -1.0 2.0
   81    88    83    84  10.50000 -1.0 2.0
END
