* LIGAND DATABASE FILE (OPLS2005)
*
001     101   105    201    330     606
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02048   103.70890   -37.60449
    3     1 S   H    _H1_     3     1.02082    70.47499    67.67828
    4     1 S   H    _H2_     4     1.02101    42.79603  -140.44610
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.83544    97.72935   161.81910
   34    33 S   HC   _H7_    37     1.09277   106.87720   -72.54521
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C17    38     1.51961   106.44218    40.03753
   39    38 S   HC   _H24    39     1.08645   118.32356   -81.26817
   40    38 S   CM   _C16    40     1.34298   121.14051    99.74753
   41    40 S   CM   _C15    41     1.44101   120.43880    -3.66003
   42    41 S   HC   _H23    42     1.08493   117.72665  -157.73238
   43    40 S   OH   _O38   100     1.37420   123.96741  -179.43352
   44    43 S   HO   _H37   101     0.96438   110.16770    -4.01635
   45    41 S   CM   _C14    43     1.34836   121.01969    17.71948
   46    45 S   CT   _C13    44     1.49851   121.05201  -170.92801
   47    46 S   HC   _H21    45     1.09555   110.64175  -123.08919
   48    46 S   HC   _H22    46     1.09616   111.42939    -4.72617
   49    46 S   CT   _C12    47     1.52546   107.74779   114.93662
   50    49 S   HC   _H19    48     1.09707   108.61623  -176.60615
   51    49 S   HC   _H20    49     1.09915   109.02100   -62.31867
   52    49 S   CT   _C11    50     1.54934   113.63790    58.54859
   53    52 S   HC   _H6_    51     1.09650   107.37193  -130.28771
   54    52 S   CT   _C10    52     1.56023   109.09299   114.04018
   55    54 S   HC   _H5_    53     1.09854   108.49061   -45.28764
   56    52 S   CT   _C20    66     1.55778   113.23030   -10.51234
   57    56 S   HC   _H8_    67     1.10352   101.60849    72.30316
   58    54 S   CT   _C9_    54     1.57002   110.89569    72.71292
   59    58 S   HC   _H17    55     1.09405   111.43452  -135.82332
   60    58 S   HC   _H18    56     1.09480   113.70030   -15.36284
   61    33 S   CT   _C19    68     1.58285   115.55956   165.56907
   62    58 S   CT   _C8_    57     1.50437   101.42406   104.52994
   63    62 S   HC   _H4_    58     1.10001   107.77534   -76.26043
   64    61 S   CT   _C28    69     1.56311   107.15236   165.60392
   65    64 S   HC   _H34    70     1.07780   108.03786   -64.52397
   66    64 S   HC   _H35    71     1.07751   108.03153   175.50434
   67    64 S   HC   _H36    72     1.07723   108.03686    55.48121
   68    62 S   CT   _C24    59     1.50893   103.25978    43.33166
   69    54 S   CT   _C23    60     1.58655   113.88898  -167.27958
   70    68 S   OS   _O34    79     1.42128   100.82791  -178.47043
   71    68 S   CO4  _C25    93     1.51760   114.89040    70.65149
   72    71 S   O    _O35    94     1.23017   121.30108   -30.02328
   73    69 S   CT   _C22    61     1.53957   111.24104   -13.24200
   74    73 S   HC   _H25    62     1.09653   111.07941   -66.30514
   75    73 S   HC   _H26    63     1.09925   110.16388   178.88215
   76    69 S   CT   _C27    75     1.54450   110.91819   107.73581
   77    76 S   HC   _H30    76     1.08358   108.98688    57.47306
   78    76 S   HC   _H31    77     1.08352   108.99255   -62.53017
   79    76 S   HC   _H32    78     1.08312   108.99968   177.48184
   80    70 S   CO   _C7_    80     1.46244   102.97594   -32.66060
   81    80 S   HC   _H3_    81     1.09593   107.49627   123.79596
   82    71 S   CT   _C26    95     1.51405   116.31285   149.97747
   83    82 S   HC   _H27    96     1.09365   109.74980    30.03662
   84    82 S   HC   _H28    97     1.09260   109.04369   -90.22472
   85    73 S   CT   _C21    64     1.53382   113.91278    56.29174
   86    85 S   HC   _H9_    65     1.09774   108.35413    79.12466
   87    62 S   OS   _O33    82     1.40878   125.37594   158.70993
   88    80 S   CT   _C6_    83     1.51581   111.01777  -115.55036
   89    88 S   HC   _H15    84     1.09737   109.37513   -37.45310
   90    88 S   HC   _H16    85     1.09810   109.33771    79.44613
   91    82 S   OH   _O36    98     1.41176   110.68207   150.56132
   92    91 S   HO   _H29    99     0.97377   107.30222  -179.96044
   93    85 S   OH   _O37    73     1.41981   105.96167  -167.52810
   94    93 S   HO   _H33    74     0.97111   106.89748   -60.00106
   95    88 S   CT   _C5_    86     1.52884   111.63282  -159.01485
   96    95 S   HC   _H13    87     1.09690   109.79011   -59.99820
   97    95 S   HC   _H14    88     1.09624   109.79218    57.60860
   98    95 S   CT   _C4_    89     1.52087   111.63218   178.81568
   99    98 S   HC   _H10    90     1.09439   110.95601   -58.41305
  100    98 S   HC   _H11    91     1.09450   110.22899  -178.21996
  101    98 S   HC   _H12    92     1.09483   111.00166    62.07793
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  10   4   7  11   4   2   1  15  11   6   5
  12   5   4  18   8  22   9  15   6  12   6   5   8  13   6   4
   2   1   1  20  16  12  10   4  10   5   4   4   2   1   1   9
   5   4   3   2   3   2   4   9   5   4   1   1   1   1   6   5
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    56    61    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    46    52    85    56    57    61    64    65    66    67    43  
   38    39    40    45    56    61    64  
   36    37  
   37  
    0  
   39    40    41    42    45    56    61    64    43    44  
   40    41    61    43  
   41    42    45    46    61    43    44  
   42    45    46    47    48    49    56    61    64    43    44  
   45    46    61    43  
   44    45  
    0  
   46    47    48    49    50    51    52    85    56    57    61    64    65    66    67  
   47    48    49    50    51    52    53    54    56    61    64  
   48    49    50    51    52    61  
   49    50    51    52    61  
   50    51    52    53    54    55    58    69    85    56    57    61  
   51    52    53    54    56  
   52    53    54    56  
   53    54    55    58    59    60    62    68    69    73    85    86    56    57    61    64    93    76  
   54    55    58    69    85    56    57    61  
   55    58    59    60    62    63    68    69    73    74    75    85    56    57    61    76    77    78    79    70    87    71  
   58    59    60    62    68    69    73    56    76  
   57    61    64    65    66    67    93    94    58    69    73    74    75    85    86  
   61    64    93    73    85    86  
   59    60    62    63    68    69    73    76    70    80    87    71  
   60    62    63    68    69    87  
   62    63    68    69    87  
   64    65    66    67    93    73    85    86  
   63    68    69    73    76    70    80    81    87    88    71    72    82  
   68    69    70    80    87    71  
   65    66    67    85  
   66    67  
   67  
    0  
   69    73    74    75    85    76    77    78    79    70    80    81    87    88    71    72    82    83    84    91  
   73    74    75    85    86    93    76    77    78    79    70    80    87    71    72    82  
   80    81    87    88    89    90    95    71    72    82    73    76  
   72    82    83    84    91    92    73    76    80    87  
   82    83    84    91  
   74    75    85    86    93    94    76    77    78    79  
   75    85    86    93    76  
   85    86    93    76  
   77    78    79    85  
   78    79  
   79  
    0  
   81    87    88    89    90    95    96    97    98  
   87    88    89    90    95  
   83    84    91    92  
   84    91    92  
   91    92  
   86    93    94  
   93    94  
   88    89    90    95  
   89    90    95    96    97    98    99   100   101  
   90    95    96    97    98  
   95    96    97    98  
   92  
    0  
   94  
    0  
   96    97    98    99   100   101  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101  
  100   101  
  101  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    61   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   380.000  1.444
   40    43   510.000  1.338
   41    42   340.000  1.080
   41    45   549.000  1.340
   45    46   317.000  1.510
   45    61   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    69   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    87   320.000  1.410
   68    69   268.000  1.529
   68    70   320.000  1.410
   68    71   317.000  1.522
   69    73   268.000  1.529
   69    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    85   268.000  1.529
   85    86   340.000  1.090
   85    56   268.000  1.529
   85    93   320.000  1.410
   56    57   340.000  1.090
   56    61   268.000  1.529
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   93    94   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   70    80   320.000  1.380
   80    81   340.000  1.090
   80    87   320.000  1.380
   80    88   250.000  1.527
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   71    72   570.000  1.229
   71    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    91   320.000  1.410
   91    92   553.000  0.945
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    61    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    61    45    70.00000  112.02700
   33    61    56    58.35000  112.70000
   33    61    64    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    70.00000  123.01800
   38    40    43    80.00000  121.38400
   40    38    39    35.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    70.00000  123.01800
   40    43    44    70.00000  107.45700
   41    45    46    70.00000  124.00000
   41    45    61    70.00000  124.00000
   45    41    42    35.00000  120.00000
   45    46    47    35.00000  109.50000
   45    46    48    35.00000  109.50000
   45    46    49    70.00000  112.02700
   45    61    56    70.00000  112.02700
   45    61    64    70.00000  112.02700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   49    52    56    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    69    58.35000  112.70000
   52    56    85    58.35000  112.70000
   52    56    57    37.50000  110.70000
   52    56    61    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    69    68    58.35000  112.70000
   54    69    73    58.35000  112.70000
   54    69    76    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    68    58.35000  112.70000
   58    62    87    50.00000  109.50000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    68    69    58.35000  112.70000
   62    68    70    50.00000  109.50000
   62    68    71    63.00000  111.10000
   62    87    80    60.00000  109.50000
   68    62    63    37.50000  110.70000
   68    69    73    58.35000  112.70000
   68    69    76    58.35000  112.70000
   68    70    80    60.00000  109.50000
   68    71    72    80.00000  120.40000
   68    71    82    70.00000  116.00000
   69    54    55    37.50000  110.70000
   69    54    58    58.35000  112.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    85    58.35000  112.70000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    79    37.50000  110.70000
   73    85    86    37.50000  110.70000
   73    85    56    58.35000  112.70000
   73    85    93    50.00000  109.50000
   75    73    74    33.00000  107.80000
   85    73    74    37.50000  110.70000
   85    73    75    37.50000  110.70000
   85    56    57    37.50000  110.70000
   85    56    61    58.35000  112.70000
   85    93    94    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    52    54    58.35000  112.70000
   56    85    86    37.50000  110.70000
   56    61    64    58.35000  112.70000
   61    33    34    37.50000  110.70000
   61    33    38    70.00000  112.02700
   61    45    46    65.00000  117.92700
   61    56    57    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   93    85    86    35.00000  109.50000
   93    85    56    50.00000  109.50000
   76    69    73    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   70    68    69    50.00000  109.50000
   70    80    81    35.00000  109.50000
   70    80    87    92.60000  111.55000
   70    80    88    90.00000  108.56700
   80    88    89    45.00000  108.72000
   80    88    90    45.00000  108.72000
   80    88    95    75.00000  109.43000
   87    62    63    35.00000  109.50000
   87    62    68    50.00000  109.50000
   87    80    81    35.00000  109.50000
   88    80    81    45.00000  112.01100
   88    80    87    90.00000  108.56700
   88    95    96    37.50000  110.70000
   88    95    97    37.50000  110.70000
   88    95    98    58.35000  112.70000
   90    88    89    33.00000  107.80000
   95    88    89    37.50000  110.70000
   95    88    90    37.50000  110.70000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    37.50000  110.70000
   97    95    96    33.00000  107.80000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   71    68    69    63.00000  111.10000
   71    68    70    90.00000  108.74100
   71    82    83    35.00000  109.50000
   71    82    84    35.00000  109.50000
   71    82    91    90.00000  109.61100
   82    71    72    80.00000  120.40000
   82    91    92    55.00000  108.50000
   84    82    83    33.00000  107.80000
   91    82    83    35.00000  109.50000
   91    82    84    35.00000  109.50000
   43    40    41    80.00000  121.38400
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
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   70    80    88    95   0.27300  1.0 3.0
   80    88    95    96   0.15000  1.0 3.0
   80    88    95    97   0.15000  1.0 3.0
   80    88    95    98   3.97050  1.0 1.0
   81    80    87    62   0.37050  1.0 3.0
   81    80    88    89   0.15000  1.0 3.0
   81    80    88    90   0.15000  1.0 3.0
   81    80    88    95   0.15000  1.0 3.0
   87    62    68    69   0.62750  1.0 1.0
   87    62    68    69  -0.30950 -1.0 2.0
   87    62    68    69   0.27300  1.0 3.0
   87    62   -68    70   1.11900  1.0 1.0
   87    62   -68    70  -1.16350 -1.0 2.0
   87    62   -68    70  -0.34150  1.0 3.0
   87    62    68    71  -0.09450  1.0 1.0
   87    62    68    71  -1.12950 -1.0 2.0
   87    62    68    71   0.54000  1.0 3.0
   87    80    88    89   0.23400  1.0 3.0
   87    80    88    90   0.23400  1.0 3.0
   87    80    88    95   0.62750  1.0 1.0
   87    80    88    95  -0.30950 -1.0 2.0
   87    80    88    95   0.27300  1.0 3.0
   88    80    87    62   0.06250  1.0 1.0
   88    80    87    62  -0.01100 -1.0 2.0
   88    80    87    62   0.28050  1.0 3.0
   88    95    98    99   0.15000  1.0 3.0
   88    95    98   100   0.15000  1.0 3.0
   88    95    98   101   0.15000  1.0 3.0
   89    88    95    96   0.15000  1.0 3.0
   89    88    95    97   0.15000  1.0 3.0
   89    88    95    98   0.15000  1.0 3.0
   90    88    95    96   0.15000  1.0 3.0
   90    88    95    97   0.15000  1.0 3.0
   90    88    95    98   0.15000  1.0 3.0
   96    95    98    99   0.15000  1.0 3.0
   96    95    98   100   0.15000  1.0 3.0
   96    95    98   101   0.15000  1.0 3.0
   97    95    98    99   0.15000  1.0 3.0
   97    95    98   100   0.15000  1.0 3.0
   97    95    98   101   0.15000  1.0 3.0
   71    68    69    54  -0.95700  1.0 1.0
   71    68    69    54  -0.18200 -1.0 2.0
   71    68    69    54   0.29450  1.0 3.0
   71    68    69    73  -0.95700  1.0 1.0
   71    68    69    73  -0.18200 -1.0 2.0
   71    68    69    73   0.29450  1.0 3.0
   71    68    69    76  -0.95700  1.0 1.0
   71    68    69    76  -0.18200 -1.0 2.0
   71    68    69    76   0.29450  1.0 3.0
   71    68    70    80  -1.11000  1.0 1.0
   71    68    70    80   0.50250 -1.0 2.0
   71    68    70    80   0.47450  1.0 3.0
   71    82    91    92   0.91850  1.0 1.0
   71    82    91    92   0.57950  1.0 3.0
   72    71    82    83   0.00000  1.0 1.0
   72    71    82    84   0.00000  1.0 1.0
   72    71    82    91   0.30150 -1.0 2.0
   83    82    91    92   0.19450  1.0 3.0
   84    82    91    92   0.19450  1.0 3.0
   43    40    41    42   0.00000  1.0 1.0
   43    40    41    45   0.50950  1.0 1.0
   43    40    41    45   0.56650 -1.0 2.0
   43    40    41    45   0.34050  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    43    40    38   1.10000 -1.0 2.0
   40    42    41    45   1.10000 -1.0 2.0
   46    61    45    41   1.10000 -1.0 2.0
   68    82    71    72  10.50000 -1.0 2.0
END
