* LIGAND DATABASE FILE (OPLS2005)
*
001     102   106    201    332     609
    1     0 S   NP   _N1_     1    28.65599    95.04607   -21.09546
    2     1 S   H    _HN1     2     1.02953    86.66246    11.70323
    3     1 S   H    _H1_     3     1.02832    35.01550   138.33974
    4     1 S   H    _H2_     4     1.02787    88.50417   -96.76224
    5     1 S   CT   _CA1     5     1.50107   145.70425   134.04254
    6     5 S   HC   _HA1     6     1.09575   105.22962    61.91765
    7     5 S   CO3  _C1_     7     1.53812   112.33468   -58.35855
    8     7 S   O2Z  _O11     8     1.26373   115.01585   -45.54950
    9     7 S   O2Z  _O12     9     1.26235   114.92809   133.54250
   10     5 S   CT   _CB1    10     1.53075   107.42001   179.86878
   11    10 S   HC   HB11    11     1.09830   109.44840   -49.93844
   12    10 S   HC   HB12    12     1.09816   110.42859    66.67757
   13    10 S   CT   _CG1    13     1.52977   112.55955  -170.92665
   14    13 S   HC   HG11    14     1.09599   110.55288   -63.36510
   15    13 S   HC   HG12    15     1.09662   109.89149    55.86681
   16    13 S   C    _CD1    16     1.51789   112.25572   176.33825
   17    16 S   O    _OE1    17     1.22732   123.29246     2.53590
   18    16 S   N    _N2_    18     1.38603   111.59825  -177.61854
   19    18 S   H    _HN2    19     1.01590   119.07324     2.01324
   20    18 S   CT1  _CA2    20     1.46325   123.49298   179.80617
   21    20 S   HC   _HA2    21     1.09755   109.29950    -0.07133
   22    20 S   C    _C2_    22     1.53562   108.85637  -115.47816
   23    22 S   O    _O2_    23     1.23048   122.35241  -151.00829
   24    20 S   CT   _CB2    32     1.53859   111.32127   121.76883
   25    24 S   HC   HB21    33     1.09329   108.17909    55.33463
   26    24 S   HC   HB22    34     1.09186   109.08115   174.97414
   27    22 S   N    _N3_    24     1.38374   113.71322    36.72197
   28    27 S   H    _HN3    25     1.01589   119.51388    -3.79607
   29    24 S   S    _SG2    35     1.82518   110.05982   -64.70298
   30    27 S   CT   _CA3    26     1.45271   123.15017   176.92457
   31    30 S   HC   HA31    27     1.09552   107.55555   -63.27531
   32    30 S   HC   HA32    28     1.09558   107.91949    53.13268
   33    29 S   CT   _C10    36     1.98862   107.74963  -178.77013
   34    30 S   CO3  _C3_    29     1.52935   114.13918   175.10767
   35    34 S   O2Z  _O31    30     1.26370   116.09567    -0.24945
   36    34 S   O2Z  _O32    31     1.26438   114.40566   179.78786
   37    33 S   CT   _C11    37     1.57941   113.04626   -32.14682
   38    37 S   OM   _O36    38     1.32038   112.16387    63.20652
   39    37 S   HC   _H4_    39     1.09867   106.37947  -168.85742
   40    33 S   CT   _C9_    62     1.67538   109.20081    98.29679
   41    37 S   CO4  _C12    40     1.53961   113.71870   -57.74363
   42    41 S   O    _O33    41     1.23042   124.58671   145.35630
   43    40 S   CO4  _C18    63     1.55871   116.00026  -153.63234
   44    43 S   O    _O37    64     1.23060   124.09290    43.45504
   45    40 S   CT   _C29    95     1.54382   109.75643   -37.06216
   46    45 S   HC   _H32    96     1.09286   112.79576    73.92412
   47    45 S   HC   _H33    97     1.09256   111.68009   -48.69124
   48    45 S   HC   _H34    98     1.08531   112.38836  -164.71805
   49    41 S   OS   _O34    42     1.35676   115.66209   -43.58301
   50    43 S   CT   _C19    65     1.52007   118.22031  -138.83396
   51    50 S   HC   _H18    66     1.09660   107.30830    80.81194
   52    50 S   HC   _H19    67     1.09411   108.91229  -167.54255
   53    49 S   CT   _C13    43     1.44664   123.07118    37.33629
   54    53 S   HC   _H5_    44     1.09595   104.73691    77.98023
   55    50 S   CT   _C20    68     1.55053   114.51951   -42.08579
   56    55 S   HC   _H6_    69     1.09804    99.59325   169.32195
   57    53 S   C5BC _C14    45     1.51163   109.09860  -170.97259
   58    33 S   CT   _C5_    53     1.61407   102.50874  -145.34712
   59    90 S   CT   _C21    70     1.60529   116.36724  -155.62098
   60    55 S   CT   _C26    84     1.59670   114.59357   -83.12403
   61    57 S   C5BC _C15    46     1.42614   127.99760    35.18387
   62    61 S   HA   _H15    47     1.08089   127.36200     0.92978
   63    58 S   CT   _C6_    54     1.56931   110.71222   -58.73334
   64    63 S   HC   _H11    55     1.09804   109.38331  -152.94513
   65    63 S   HC   _H12    56     1.09752   110.96254    92.05376
   66    59 S   CT   _C22    71     1.53875   111.13857   -47.04310
   67    66 S   HC   _H20    72     1.08948   112.85558   -64.05028
   68    66 S   HC   _H21    73     1.09678   111.27077    53.11573
   69    60 S   CT   _C27    85     1.53954   115.14964    -1.21338
   70    69 S   HC   _H25    86     1.09748   110.72089   178.00649
   71    69 S   HC   _H26    87     1.09379   111.52006    61.17387
   72    69 S   HC   _H27    88     1.09405   112.39496   -62.24418
   73    60 S   CT   _C28    89     1.54350   109.94493  -121.67591
   74    73 S   HC   _H28    90     1.09677   111.05628  -179.67494
   75    73 S   HC   _H29    91     1.09178   111.54261   -62.06531
   76    73 S   HC   _H30    92     1.09515   111.65024    59.73700
   77    60 S   OH   _O41    93     1.42252   112.43669   120.21831
   78    77 S   HO   _H31    94     0.97232   108.92391   175.86611
   79    58 S   CT   _C4_    99     1.56672   111.64766   178.80679
   80    79 S   HC   _H8_   100     1.09562   112.07163   -81.31332
   81    79 S   HC   _H9_   101     1.09573   111.53778   159.44198
   82    79 S   HC   _H10   102     1.08796   114.07721    38.23340
   83    61 S   C5A  _C16    48     1.37430   106.70232  -179.12464
   84    83 S   HA   _H16    49     1.08017   133.82629  -179.77532
   85    63 S   CT   _C7_    57     1.53559   116.13559   -30.35328
   86    85 S   HC   _H13    58     1.09412   111.21684    92.05169
   87    85 S   HC   _H14    59     1.09290   106.72131  -154.28921
   88    66 S   OS   _O38    74     1.43935   114.55142   172.76139
   89    83 S   OA   _O35    50     1.35630   110.47123     0.61421
   90    85 S   CT   _C8_    60     1.52770   110.93879   -31.22579
   91    90 S   HC   _H3_    61     1.09265   101.91510   -46.02228
   92    88 S   CO4  _C23    75     1.35052   121.36802   -48.17667
   93    92 S   O    _O39    76     1.22856   121.43364  -157.95961
   94    57 S   C5A  _C17    51     1.38241   127.07648  -142.52879
   95    94 S   HA   _H17    52     1.08076   133.42752    -0.81901
   96    92 S   CT   _C24    77     1.50149   116.99595    28.37470
   97    96 S   HC   _H22    78     1.09523   108.09786    98.33112
   98    96 S   HC   _H23    79     1.09751   107.85011  -147.61672
   99    59 S   CT   _C25    80     1.58130   107.87472    63.49563
  100    99 S   HC   _H7_    81     1.09435   109.97345   -54.85704
  101    99 S   OH   _O40    82     1.42681   111.44074    62.82317
  102   101 S   HO   _H24    83     0.97261   107.77907  -177.31649
  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
  29   2   1   1  13   6   5  23   6   2  16   6   9   3   2   1
   8  12   5   4  17   6  24   8  10  13  22  13   6   4  11   6
   5  12   5   4   9   4   3   2   5   3   2   1   1   1   4   2
   1   1   4   2   5   3   2   7   2   5   1   7   4   1   1   6
   4   3   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    58    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    53    58    63    90    40    43    45    79  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    49    53    54    57    58    63    64    65    85    90    91    40    43    44    50    59    45    46    47    48    79    80    81    82  
   35    36  
   36  
    0  
   38    39    41    42    49    53    58    63    90    40    43    45    79  
   39    41    42    49    58    40  
   41    42    49    58    40  
   43    44    50    51    52    55    59    66    99    45    46    47    48    79    41    53    58    63    85    86    87    90    91  
   42    49    53    54    57    58  
   49    53  
   44    50    51    52    55    56    59    60    45    46    47    48    58    85    90    91  
   50    51    52    55    45    90  
   46    47    48    50    58    59    85    90    91  
   47    48    90  
   48    90  
   90  
   53    54    57    61    94    58    63    79  
   51    52    55    56    59    66    99    60    69    73    77    90  
   52    55    56    59    60  
   55    56    59    60  
   54    57    61    62    83    89    94    95    58    63    64    65    85    79    80    81    82  
   57    61    94    58    63    79  
   56    59    66    67    68    88    96    99   100   101    60    69    70    71    72    73    74    75    76    77    78    85    90    91  
   59    66    99    60    69    73    77    90  
   61    62    83    84    89    94    95    58    63    79  
   63    64    65    85    86    87    90    79    80    81    82    61    94  
   66    67    68    88    92    96    97    98    99   100   101   102    60    69    73    77    63    85    86    87    90    91  
   69    70    71    72    73    74    75    76    77    78    66    90    99  
   62    83    84    89    94    95  
   83    84    89    94  
   64    65    85    86    87    90    91    79    80    81    82  
   65    85    86    87    90    79  
   85    86    87    90    79  
   67    68    88    92    93    96    99   100   101    85    90    91  
   68    88    92    99    90  
   88    92    99    90  
   70    71    72    73    74    75    76    77    78  
   71    72    73    77  
   72    73    77  
   73    77  
   74    75    76    77    78  
   75    76    77  
   76    77  
   77  
   78  
    0  
   80    81    82    85  
   81    82  
   82  
    0  
   84    89    94    95  
   89    94  
   86    87    90    91    99  
   87    90    91  
   90    91  
   92    93    96    97    98    99    90  
   94    95  
   91    96    99   100   101  
   99  
   93    96    97    98    99   100   101  
   96    97    98    99  
   95  
    0  
   97    98    99   100   101   102  
   98    99   100   101  
   99   100   101  
  100   101   102  
  101   102  
  102  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   89   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.418000   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   268.000  1.529
   33    58   268.000  1.529
   33    40   268.000  1.529
   37    38   570.000  1.307
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    57   285.000  1.502
   53    58   268.000  1.529
   57    61   469.000  1.424
   57    94   546.000  1.367
   61    62   367.000  1.080
   61    83   546.000  1.367
   83    84   367.000  1.080
   83    89   340.000  1.360
   89    94   340.000  1.360
   94    95   367.000  1.080
   58    63   268.000  1.529
   58    79   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    90   268.000  1.529
   90    91   340.000  1.090
   90    40   268.000  1.529
   90    59   268.000  1.529
   40    43   317.000  1.522
   40    45   268.000  1.529
   43    44   570.000  1.229
   43    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    60   268.000  1.529
   59    66   268.000  1.529
   59    99   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    88   320.000  1.410
   88    92   214.000  1.327
   92    93   570.000  1.229
   92    96   317.000  1.522
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   320.000  1.410
  101   102   553.000  0.945
   60    69   268.000  1.529
   60    73   268.000  1.529
   60    77   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   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    58    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    50.00000  109.50000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    58    53    58.35000  112.70000
   33    58    63    58.35000  112.70000
   33    58    79    58.35000  112.70000
   33    40    90    58.35000  112.70000
   33    40    43    63.00000  111.10000
   33    40    45    58.35000  112.70000
   37    41    42    80.00000  120.40000
   37    41    49    81.00000  111.40000
   39    37    38    45.00000  125.66300
   41    37    38    90.00000  108.74100
   41    37    39    35.00000  109.50000
   41    49    53    83.00000  116.90000
   49    41    42    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    57    85.00000  111.85700
   49    53    58    50.00000  109.50000
   53    57    61    60.00000  130.00000
   53    57    94    60.00000  130.00000
   53    58    63    58.35000  112.70000
   53    58    79    58.35000  112.70000
   57    53    54    35.00000  109.50000
   57    61    62    35.00000  127.50000
   57    61    83    70.00000  107.30000
   57    94    89    70.00000  110.60000
   57    94    95    35.00000  132.10000
   61    83    84    35.00000  132.10000
   61    83    89    70.00000  110.60000
   83    61    62    35.00000  125.70000
   83    89    94    70.00000  106.50000
   89    83    84    35.00000  113.40000
   89    94    95    35.00000  113.40000
   94    57    61    70.00000  107.30000
   58    33    37    58.35000  112.70000
   58    53    54    37.50000  110.70000
   58    53    57    70.00000  112.17500
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    85    58.35000  112.70000
   58    79    80    37.50000  110.70000
   58    79    81    37.50000  110.70000
   58    79    82    37.50000  110.70000
   63    85    86    37.50000  110.70000
   63    85    87    37.50000  110.70000
   63    85    90    58.35000  112.70000
   65    63    64    33.00000  107.80000
   85    63    64    37.50000  110.70000
   85    63    65    37.50000  110.70000
   85    90    91    37.50000  110.70000
   85    90    40    58.35000  112.70000
   85    90    59    58.35000  112.70000
   87    85    86    33.00000  107.80000
   90    85    86    37.50000  110.70000
   90    85    87    37.50000  110.70000
   90    40    43    63.00000  111.10000
   90    40    45    58.35000  112.70000
   90    59    55    58.35000  112.70000
   90    59    66    58.35000  112.70000
   90    59    99    58.35000  112.70000
   40    33    37    58.35000  112.70000
   40    33    58    58.35000  112.70000
   40    90    91    37.50000  110.70000
   40    43    44    80.00000  120.40000
   40    43    50    70.00000  116.00000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   43    50    51    35.00000  109.50000
   43    50    52    35.00000  109.50000
   43    50    55    63.00000  111.10000
   50    43    44    80.00000  120.40000
   50    55    56    37.50000  110.70000
   50    55    59    58.35000  112.70000
   50    55    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    59    66    58.35000  112.70000
   55    59    99    58.35000  112.70000
   55    60    69    58.35000  112.70000
   55    60    73    58.35000  112.70000
   55    60    77    50.00000  109.50000
   59    90    91    37.50000  110.70000
   59    90    40    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    88    50.00000  109.50000
   59    99    96    58.35000  112.70000
   59    99   100    37.50000  110.70000
   59    99   101    50.00000  109.50000
   66    88    92    83.00000  116.90000
   68    66    67    33.00000  107.80000
   88    66    67    35.00000  109.50000
   88    66    68    35.00000  109.50000
   88    92    93    83.00000  123.40000
   88    92    96    81.00000  111.40000
   92    96    97    35.00000  109.50000
   92    96    98    35.00000  109.50000
   92    96    99    63.00000  111.10000
   96    92    93    80.00000  120.40000
   96    99   100    37.50000  110.70000
   96    99   101    50.00000  109.50000
   98    96    97    33.00000  107.80000
   99    59    66    58.35000  112.70000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   101   102    55.00000  108.50000
  101    99   100    35.00000  109.50000
   60    55    56    37.50000  110.70000
   60    55    59    58.35000  112.70000
   60    69    70    37.50000  110.70000
   60    69    71    37.50000  110.70000
   60    69    72    37.50000  110.70000
   60    73    74    37.50000  110.70000
   60    73    75    37.50000  110.70000
   60    73    76    37.50000  110.70000
   60    77    78    55.00000  108.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    60    69    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    60    69    50.00000  109.50000
   77    60    73    50.00000  109.50000
   45    40    43    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   79    58    63    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   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
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   66    88   -92    96   1.63150  1.0 1.0
   66    88   -92    96   2.92000 -1.0 2.0
   67    66    88    92   0.08050  1.0 3.0
   68    66    88    92   0.08050  1.0 3.0
   88    92    96    97   0.00000  1.0 1.0
   88    92    96    98   0.00000  1.0 1.0
   88    92    96    99   0.36750  1.0 3.0
   92    96   -99    59  -0.95700  1.0 1.0
   92    96   -99    59  -0.18200 -1.0 2.0
   92    96   -99    59   0.29450  1.0 3.0
   92    96    99   100  -0.11250  1.0 3.0
   92    96    99   101  -0.09450  1.0 1.0
   92    96    99   101  -1.12950 -1.0 2.0
   92    96    99   101   0.54000  1.0 3.0
   93    92    96    97   0.00000  1.0 1.0
   93    92    96    98   0.00000  1.0 1.0
   93    92    96    99   0.30150 -1.0 2.0
   96    99   101   102  -0.11600  1.0 1.0
   96    99   101   102  -0.09450 -1.0 2.0
   96    99   101   102   0.21250  1.0 3.0
   97    96    99    59   0.15000  1.0 3.0
   97    96    99   100   0.15000  1.0 3.0
   97    96    99   101   0.23400  1.0 3.0
   98    96    99    59   0.15000  1.0 3.0
   98    96    99   100   0.15000  1.0 3.0
   98    96    99   101   0.23400  1.0 3.0
   99    59    66    67   0.15000  1.0 3.0
   99    59    66    68   0.15000  1.0 3.0
   99    59   -66    88   0.62750  1.0 1.0
   99    59   -66    88  -0.30950 -1.0 2.0
   99    59   -66    88   0.27300  1.0 3.0
  100    99   101   102   0.19450  1.0 3.0
   60    55    59    90   0.56750  1.0 1.0
   60    55    59    90  -0.07550 -1.0 2.0
   60    55    59    90   0.20000  1.0 3.0
   60    55    59    66   0.56750  1.0 1.0
   60    55    59    66  -0.07550 -1.0 2.0
   60    55    59    66   0.20000  1.0 3.0
   60    55    59    99   0.56750  1.0 1.0
   60    55    59    99  -0.07550 -1.0 2.0
   60    55    59    99   0.20000  1.0 3.0
   69    60    73    74   0.15000  1.0 3.0
   69    60    73    75   0.15000  1.0 3.0
   69    60    73    76   0.15000  1.0 3.0
   69    60    77    78  -0.11600  1.0 1.0
   69    60    77    78  -0.09450 -1.0 2.0
   69    60    77    78   0.21250  1.0 3.0
   73    60    69    70   0.15000  1.0 3.0
   73    60    69    71   0.15000  1.0 3.0
   73    60    69    72   0.15000  1.0 3.0
   73    60    77    78  -0.11600  1.0 1.0
   73    60    77    78  -0.09450 -1.0 2.0
   73    60    77    78   0.21250  1.0 3.0
   77    60    69    70   0.23400  1.0 3.0
   77    60    69    71   0.23400  1.0 3.0
   77    60    69    72   0.23400  1.0 3.0
   77    60    73    74   0.23400  1.0 3.0
   77    60    73    75   0.23400  1.0 3.0
   77    60    73    76   0.23400  1.0 3.0
   45    40    43    44   0.30150 -1.0 2.0
   45    40    43    50   0.60050  1.0 1.0
   45    40    43    50   0.05600 -1.0 2.0
   45    40    43    50   0.26150  1.0 3.0
   79    58    63    64   0.15000  1.0 3.0
   79    58    63    65   0.15000  1.0 3.0
   79    58    63    85   0.56750  1.0 1.0
   79    58    63    85  -0.07550 -1.0 2.0
   79    58    63    85   0.20000  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
   37    49    41    42  10.50000 -1.0 2.0
   61    94    57    53   4.00000 -1.0 2.0
   83    62    61    57   1.10000 -1.0 2.0
   89    84    83    61   1.10000 -1.0 2.0
   89    95    94    57   1.10000 -1.0 2.0
   40    50    43    44  10.50000 -1.0 2.0
   88    96    92    93  10.50000 -1.0 2.0
END
