* LIGAND DATABASE FILE (OPLS2005)
*
001     101   106    202    338     611
    1     0 S   NP   _N1_     1    28.80572    97.59910   -22.33960
    2     1 S   H    _HN1     2     1.02948    66.67815    33.07830
    3     1 S   H    _H1_     3     1.02834    48.54340   177.04660
    4     1 S   H    _H2_     4     1.02793    95.94970   -74.35338
    5     1 S   CT   _CA1     5     1.50102   150.40282   123.77697
    6     5 S   HC   _HA1     6     1.09584   105.16583    99.27629
    7     5 S   CO3  _C1_     7     1.53647   112.38617   -20.85163
    8     7 S   O2Z  _O11     8     1.26353   115.04143   -46.57724
    9     7 S   O2Z  _O12     9     1.26230   114.88424   132.52984
   10     5 S   CT   _CB1    10     1.53058   107.42127  -142.95525
   11    10 S   HC   HB11    11     1.09841   109.04938   -51.39251
   12    10 S   HC   HB12    12     1.09809   110.60336    65.08335
   13    10 S   CT   _CG1    13     1.53063   112.74125  -172.44114
   14    13 S   HC   HG11    14     1.09592   110.71607   -70.24146
   15    13 S   HC   HG12    15     1.09675   109.74014    49.02587
   16    13 S   C    _CD1    16     1.51850   111.90796   169.28487
   17    16 S   O    _OE1    17     1.22749   123.16401    12.08785
   18    16 S   N    _N2_    18     1.38627   111.85826  -167.89965
   19    18 S   H    _HN2    19     1.01576   118.96795     0.00000
   20    18 S   CT1  _CA2    20     1.46241   123.22350   174.04754
   21    20 S   HC   _HA2    21     1.09753   109.43111    -2.35659
   22    20 S   C    _C2_    22     1.53587   107.87671  -117.37157
   23    22 S   O    _O2_    23     1.23014   122.45917  -146.11078
   24    20 S   CT   _CB2    32     1.53567   112.04035   120.08930
   25    24 S   HC   HB21    33     1.09002   109.42917    56.09715
   26    24 S   HC   HB22    34     1.09162   108.78460   174.21206
   27    22 S   N    _N3_    24     1.38380   113.45923    41.19255
   28    27 S   H    _HN3    25     1.01599   119.53752    -3.12650
   29    24 S   S    _SG2    35     1.83082   110.75337   -66.92269
   30    27 S   CT   _CA3    26     1.45276   123.27483   177.29521
   31    30 S   HC   HA31    27     1.09545   107.51554   -64.91512
   32    30 S   HC   HA32    28     1.09554   107.99830    51.54989
   33    29 S   CT   _C10    36     1.94196   105.79697   166.31962
   34    30 S   CO3  _C3_    29     1.52970   114.00988   173.55743
   35    34 S   O2Z  _O31    30     1.26386   116.04893    -0.07662
   36    34 S   O2Z  _O32    31     1.26420   114.43064   179.97202
   37    33 S   CT   _C11    37     1.56580   107.81824    32.07040
   38    37 S   HC   _H4_    38     1.09314   110.68685   -63.49436
   39    33 S   CT   _C9_    81     1.68408   109.36217   -90.70421
   40    37 S   CO4  _C12    39     1.51481   112.30403    58.73676
   41    40 S   O    _O33    40     1.22654   122.76279  -140.53870
   42    39 S   CT   _C29    82     1.56087   111.92281   154.77673
   43    42 S   HC   _H31    83     1.08863   114.14372    65.55388
   44    42 S   HC   _H32    84     1.09352   112.29190   -57.58854
   45    42 S   HC   _H33    85     1.09076   111.93987  -173.31866
   46    37 S   OH   _O36   100     1.42485   113.70352   176.12455
   47    46 S   HO   _H19   101     0.97365   107.66032   169.62168
   48    40 S   OS   _O34    41     1.35490   115.02953    39.72316
   49    48 S   CT   _C13    42     1.44201   117.64939    21.85987
   50    49 S   HC   _H5_    43     1.09819   106.33741    55.12624
   51    49 S   C5BC _C14    44     1.50843   109.30433   166.69179
   52    33 S   CT   _C5_    52     1.65431   105.76979   147.64628
   53    51 S   C5BC _C15    45     1.42646   127.89394    32.97405
   54    53 S   HA   _H16    46     1.08099   127.35441     1.17002
   55    52 S   CT   _C6_    53     1.54440   110.41267   141.66416
   56    55 S   HC   _H12    54     1.09742   110.80876   179.32276
   57    55 S   HC   _H13    55     1.09408   109.79816    64.97232
   58    52 S   CT   _C4_    96     1.56584   114.73147    22.17395
   59    58 S   HC   _H9_    97     1.09544   112.02166   -73.55265
   60    58 S   HC   _H10    98     1.09698   111.37926   167.33656
   61    58 S   HC   _H11    99     1.09255   113.23454    48.90108
   62    53 S   C5A  _C16    47     1.37434   106.67923  -179.00535
   63    62 S   HA   _H17    48     1.08024   133.82479  -179.71196
   64    55 S   CT   _C7_    56     1.52335   114.45565   -59.42061
   65    64 S   HC   _H14    57     1.09292   107.09093   160.65494
   66    64 S   HC   _H15    58     1.09800   108.37550   -86.37531
   67    62 S   OA   _O35    49     1.35644   110.46853     0.63242
   68    64 S   CT   _C8_    59     1.53929   115.29914    34.69467
   69    68 S   HC   _H3_    60     1.09807   105.02777   -85.31322
   70    51 S   C5A  _C17    50     1.38221   127.15174  -144.62036
   71    70 S   HA   _H18    51     1.08072   133.43693    -1.01336
   72    68 S   CT   _C21    61     1.58197   112.62626   162.37389
   73    72 S   CT   _C22    62     1.55427   113.04062   -62.28289
   74    73 S   HC   _H20    63     1.09311   110.96516   -95.97601
   75    73 S   HC   _H21    64     1.09193   112.71649    22.45781
   76    72 S   CT   _C20    75     1.53269   105.91190   171.01183
   77    76 S   HC   _H7_    76     1.10370   107.66132   -46.56451
   78    73 S   OS   _O38    65     1.44441   116.35891   144.09683
   79    76 S   CO4  _C19    77     1.50677   109.16614    64.71950
   80    79 S   O    _O37    78     1.22563   124.08973   117.27671
   81    78 S   CO4  _C23    66     1.35272   120.83953   -46.31712
   82    81 S   O    _O39    67     1.22679   122.13442  -158.78537
   83    79 S   CT   _C18    79     1.53396   112.75609   -66.33436
   84    83 S   HC   _H6_    80     1.08963   102.52490   -68.43593
   85    81 S   CT   _C24    68     1.50069   115.48012    21.60093
   86    85 S   HC   _H22    69     1.09648   106.95274   148.37179
   87    85 S   HC   _H23    70     1.09176   109.03327   -94.36759
   88    83 S   OH   _O41    86     1.41846   109.30229   178.00188
   89    88 S   HO   _H30    87     0.97320   107.67525    51.86429
   90    72 S   CT   _C25    71     1.53249   115.90706    63.92536
   91    90 S   HC   _H8_    72     1.09692   111.51701    32.26411
   92    90 S   OS   _O40    73     1.45507   106.33208   148.43839
   93    92 S   CT   _C26    74     1.44918   109.85795   -22.23761
   94    93 S   CT   _C27    88     1.53328   107.07860  -120.63679
   95    94 S   HC   _H24    89     1.09612   110.93302   -62.81644
   96    94 S   HC   _H25    90     1.09437   111.20625   176.18007
   97    94 S   HC   _H26    91     1.09617   111.25797    54.90846
   98    93 S   CT   _C28    92     1.52820   108.91363   122.45431
   99    98 S   HC   _H27    93     1.09654   110.39651    50.58957
  100    98 S   HC   _H28    94     1.09022   112.94156   -67.76044
  101    98 S   HC   _H29    95     1.09464   111.69425   170.58687
  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
  31   2   1   1  14   7  25   8   3  12   4   3   2   3   1   8
  17   6  10  14   6   4  12   6   5   4   2   1   1   4   2   9
   4   3   2  17   5   1   1  19  13   5   4  20   8   6  10   4
   7   4   4   2   6   4   3   1   1   5   2   9   8   7   3   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    49    52    55    68    83    39    42    58    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    48    49    50    51    52    55    56    57    64    68    69    72    79    83    84    39    42    43    44    45    88    58    59    60    61    46    47  
   35    36  
   36  
    0  
   38    40    41    48    49    52    55    68    83    39    42    58    46    47  
   40    41    48    52    39    46    47  
   42    43    44    45    88    89    58    46    40    49    52    55    64    65    66    68    69    72    73    76    79    80    83    84    90  
   41    48    49    50    51    52    46    47  
   48    49    46  
   43    44    45    88    52    64    68    69    72    79    83    84  
   44    45    68    83  
   45    68    83  
   68    83  
   47    48    52  
    0  
   49    50    51    53    70    52    55    58  
   50    51    53    54    62    67    70    71    52    55    56    57    64    58    59    60    61  
   51    53    70    52    55    58  
   53    54    62    63    67    70    71    52    55    58  
   55    56    57    64    65    66    68    83    58    59    60    61    53    70  
   54    62    63    67    70    71  
   62    63    67    70  
   56    57    64    65    66    68    69    72    58    59    60    61  
   57    64    65    66    68    58  
   64    65    66    68    58  
   59    60    61    64  
   60    61  
   61  
    0  
   63    67    70    71  
   67    70  
   65    66    68    69    72    73    90    76    83  
   66    68    69    72  
   68    69    72  
   70    71  
   69    72    73    74    75    78    85    90    91    92    93    76    77    79    83    84    88  
   72    73    90    76    83  
   71  
    0  
   73    74    75    78    81    85    86    87    90    91    92    93    76    77    79    80    83    94    98  
   74    75    78    81    82    85    90    91    92    93    76    77    79  
   75    78    81    90    76  
   78    81    90    76  
   77    79    80    83    84    88    94    95    96    97    98    99   100   101    78    85    90    91    92    93  
   79    80    83    94    98    90    92    93  
   81    82    85    86    87    90  
   80    83    84    88    89    94    98    90    92    93  
   83    84    88    93  
   82    85    86    87    90    91    92  
   85    86    87    90  
   84    88    89    93  
   88    89  
   86    87    90    91    92    93  
   87    90    91    92  
   90    91    92  
   89  
    0  
   91    92    93    94    98  
   92    93  
   93    94    95    96    97    98    99   100   101  
   94    95    96    97    98    99   100   101  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   93   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   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    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    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    40   317.000  1.522
   37    46   320.000  1.410
   40    41   570.000  1.229
   40    48   214.000  1.327
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   285.000  1.502
   49    52   268.000  1.529
   51    53   469.000  1.424
   51    70   546.000  1.367
   53    54   367.000  1.080
   53    62   546.000  1.367
   62    63   367.000  1.080
   62    67   340.000  1.360
   67    70   340.000  1.360
   70    71   367.000  1.080
   52    55   268.000  1.529
   52    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    39   268.000  1.529
   72    73   268.000  1.529
   72    90   268.000  1.529
   72    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   320.000  1.410
   78    81   214.000  1.327
   81    82   570.000  1.229
   81    85   317.000  1.522
   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    92   320.000  1.410
   92    93   320.000  1.410
   93    76   268.000  1.529
   93    94   268.000  1.529
   93    98   268.000  1.529
   76    77   340.000  1.090
   76    79   317.000  1.522
   79    80   570.000  1.229
   79    83   317.000  1.522
   83    84   340.000  1.090
   83    39   268.000  1.529
   83    88   320.000  1.410
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   88    89   553.000  0.945
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   46    47   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  111.63000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    40    63.00000  111.10000
   33    37    46    50.00000  109.50000
   33    52    49    58.35000  112.70000
   33    52    55    58.35000  112.70000
   33    52    58    58.35000  112.70000
   33    39    68    58.35000  112.70000
   33    39    83    58.35000  112.70000
   33    39    42    58.35000  112.70000
   37    40    41    80.00000  120.40000
   37    40    48    81.00000  111.40000
   37    46    47    55.00000  108.50000
   40    37    38    35.00000  109.50000
   40    48    49    83.00000  116.90000
   48    40    41    83.00000  123.40000
   48    49    50    35.00000  109.50000
   48    49    51    85.00000  111.85700
   48    49    52    50.00000  109.50000
   49    51    53    60.00000  130.00000
   49    51    70    60.00000  130.00000
   49    52    55    58.35000  112.70000
   49    52    58    58.35000  112.70000
   51    49    50    35.00000  109.50000
   51    53    54    35.00000  127.50000
   51    53    62    70.00000  107.30000
   51    70    67    70.00000  110.60000
   51    70    71    35.00000  132.10000
   53    62    63    35.00000  132.10000
   53    62    67    70.00000  110.60000
   62    53    54    35.00000  125.70000
   62    67    70    70.00000  106.50000
   67    62    63    35.00000  113.40000
   67    70    71    35.00000  113.40000
   70    51    53    70.00000  107.30000
   52    33    37    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    49    51    70.00000  112.17500
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    64    58.35000  112.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    68    58.35000  112.70000
   57    55    56    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68    39    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    72    73    58.35000  112.70000
   68    72    90    58.35000  112.70000
   68    72    76    58.35000  112.70000
   68    39    83    58.35000  112.70000
   68    39    42    58.35000  112.70000
   72    68    69    37.50000  110.70000
   72    73    74    37.50000  110.70000
   72    73    75    37.50000  110.70000
   72    73    78    50.00000  109.50000
   72    90    85    58.35000  112.70000
   72    90    91    37.50000  110.70000
   72    90    92    50.00000  109.50000
   72    76    93    58.35000  112.70000
   72    76    77    37.50000  110.70000
   72    76    79    63.00000  111.10000
   73    78    81    83.00000  116.90000
   75    73    74    33.00000  107.80000
   78    73    74    35.00000  109.50000
   78    73    75    35.00000  109.50000
   78    81    82    83.00000  123.40000
   78    81    85    81.00000  111.40000
   81    85    86    35.00000  109.50000
   81    85    87    35.00000  109.50000
   81    85    90    63.00000  111.10000
   85    81    82    80.00000  120.40000
   85    90    91    37.50000  110.70000
   85    90    92    50.00000  109.50000
   87    85    86    33.00000  107.80000
   90    72    73    58.35000  112.70000
   90    85    86    37.50000  110.70000
   90    85    87    37.50000  110.70000
   90    92    93    60.00000  109.50000
   92    90    91    35.00000  109.50000
   92    93    76    50.00000  109.50000
   92    93    94    50.00000  109.50000
   92    93    98    50.00000  109.50000
   93    76    77    37.50000  110.70000
   93    76    79    63.00000  111.10000
   93    94    95    37.50000  110.70000
   93    94    96    37.50000  110.70000
   93    94    97    37.50000  110.70000
   93    98    99    37.50000  110.70000
   93    98   100    37.50000  110.70000
   93    98   101    37.50000  110.70000
   76    72    73    58.35000  112.70000
   76    72    90    58.35000  112.70000
   76    79    80    80.00000  120.40000
   76    79    83    70.00000  116.00000
   79    76    77    35.00000  109.50000
   79    83    84    35.00000  109.50000
   79    83    39    63.00000  111.10000
   79    83    88    90.00000  109.61100
   83    79    80    80.00000  120.40000
   83    39    42    58.35000  112.70000
   83    88    89    55.00000  108.50000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   39    68    69    37.50000  110.70000
   39    68    72    58.35000  112.70000
   39    83    84    37.50000  110.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   88    83    84    35.00000  109.50000
   88    83    39    50.00000  109.50000
   94    93    76    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    93    76    58.35000  112.70000
   98    93    94    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   58    52    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   46    37    38    35.00000  109.50000
   46    37    40    90.00000  109.61100
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
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   79    83    39    33   0.29450  1.0 3.0
   79    83   -39    68  -0.95700  1.0 1.0
   79    83   -39    68  -0.18200 -1.0 2.0
   79    83   -39    68   0.29450  1.0 3.0
   79    83    39    42  -0.95700  1.0 1.0
   79    83    39    42  -0.18200 -1.0 2.0
   79    83    39    42   0.29450  1.0 3.0
   79    83    88    89   0.91850  1.0 1.0
   79    83    88    89   0.57950  1.0 3.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    39   0.30150 -1.0 2.0
   80    79    83    88   0.30150 -1.0 2.0
   83    39    42    43   0.15000  1.0 3.0
   83    39    42    44   0.15000  1.0 3.0
   83    39    42    45   0.15000  1.0 3.0
   84    83    39    33   0.15000  1.0 3.0
   84    83    39    68   0.15000  1.0 3.0
   84    83    39    42   0.15000  1.0 3.0
   84    83    88    89   0.19450  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    40  -0.95700  1.0 1.0
   39    33    37    40  -0.18200 -1.0 2.0
   39    33    37    40   0.29450  1.0 3.0
   39    33    37    46   0.86500  1.0 1.0
   39    33    37    46  -0.17500 -1.0 2.0
   39    33    37    46   0.20800  1.0 3.0
   39    33    52    49   0.56750  1.0 1.0
   39    33    52    49  -0.07550 -1.0 2.0
   39    33    52    49   0.20000  1.0 3.0
   39    33   -52    55   0.56750  1.0 1.0
   39    33   -52    55  -0.07550 -1.0 2.0
   39    33   -52    55   0.20000  1.0 3.0
   39    33    52    58   0.56750  1.0 1.0
   39    33    52    58  -0.07550 -1.0 2.0
   39    33    52    58   0.20000  1.0 3.0
   39    68    72    73   0.56750  1.0 1.0
   39    68    72    73  -0.07550 -1.0 2.0
   39    68    72    73   0.20000  1.0 3.0
   39    68    72    90   0.56750  1.0 1.0
   39    68    72    90  -0.07550 -1.0 2.0
   39    68    72    90   0.20000  1.0 3.0
   39    68   -72    76   0.56750  1.0 1.0
   39    68   -72    76  -0.07550 -1.0 2.0
   39    68   -72    76   0.20000  1.0 3.0
   39    83    88    89  -0.11600  1.0 1.0
   39    83    88    89  -0.09450 -1.0 2.0
   39    83    88    89   0.21250  1.0 3.0
   88    83    39    33   0.86500  1.0 1.0
   88    83    39    33  -0.17500 -1.0 2.0
   88    83    39    33   0.20800  1.0 3.0
   88    83    39    68   0.86500  1.0 1.0
   88    83    39    68  -0.17500 -1.0 2.0
   88    83    39    68   0.20800  1.0 3.0
   88    83    39    42   0.86500  1.0 1.0
   88    83    39    42  -0.17500 -1.0 2.0
   88    83    39    42   0.20800  1.0 3.0
   94    93    76    72   0.56750  1.0 1.0
   94    93    76    72  -0.07550 -1.0 2.0
   94    93    76    72   0.20000  1.0 3.0
   94    93    76    77   0.15000  1.0 3.0
   94    93    76    79  -0.95700  1.0 1.0
   94    93    76    79  -0.18200 -1.0 2.0
   94    93    76    79   0.29450  1.0 3.0
   94    93    98    99   0.15000  1.0 3.0
   94    93    98   100   0.15000  1.0 3.0
   94    93    98   101   0.15000  1.0 3.0
   98    93    76    72   0.56750  1.0 1.0
   98    93    76    72  -0.07550 -1.0 2.0
   98    93    76    72   0.20000  1.0 3.0
   98    93    76    77   0.15000  1.0 3.0
   98    93    76    79  -0.95700  1.0 1.0
   98    93    76    79  -0.18200 -1.0 2.0
   98    93    76    79   0.29450  1.0 3.0
   98    93    94    95   0.15000  1.0 3.0
   98    93    94    96   0.15000  1.0 3.0
   98    93    94    97   0.15000  1.0 3.0
   58    52    55    56   0.15000  1.0 3.0
   58    52    55    57   0.15000  1.0 3.0
   58    52    55    64   0.56750  1.0 1.0
   58    52    55    64  -0.07550 -1.0 2.0
   58    52    55    64   0.20000  1.0 3.0
   46    37    40    41   0.30150 -1.0 2.0
   46    37    40    48   0.30750  1.0 1.0
   46    37    40    48   1.13850 -1.0 2.0
   46    37    40    48   0.38850  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    48    40    41  10.50000 -1.0 2.0
   53    70    51    49   4.00000 -1.0 2.0
   62    54    53    51   1.10000 -1.0 2.0
   67    63    62    53   1.10000 -1.0 2.0
   67    71    70    51   1.10000 -1.0 2.0
   78    85    81    82  10.50000 -1.0 2.0
   76    83    79    80  10.50000 -1.0 2.0
END
