* LIGAND DATABASE FILE (OPLS2005)
*
001     101   106    202    338     611
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02108   103.34708   -39.01758
    3     1 S   H    _H1_     3     1.02060    71.34301    66.52811
    4     1 S   H    _H2_     4     1.02072    42.13246  -142.19815
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.83741    97.60956  -158.12684
   34    33 S   HC   _H3_    37     1.10035   106.45591   -30.77663
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CO4  _C10    38     1.52069   103.57543    79.95754
   39    38 S   O    _O29    39     1.22807   122.19088   -85.09986
   40    38 S   OS   _O34    40     1.35528   115.63736    86.73645
   41    40 S   CT   _C15    41     1.44743   120.71836    45.32093
   42    41 S   HC   _H48    42     1.10581   104.35590    71.58108
   43    41 S   C5BC _C7_    43     1.52505   107.83585  -178.11737
   44    41 S   CT   _C22    51     1.58118   113.10870   -48.05795
   45    43 S   C5BC _C4_    44     1.41521   126.98597    39.54498
   46    45 S   HA   _H37    45     1.08054   127.78086     0.00000
   47    44 S   CT   _C13    52     1.57031   107.47145   166.90083
   48    47 S   HC   _H44    53     1.09829   109.18310    87.18078
   49    47 S   HC   _H45    54     1.09797   110.63338   -27.10509
   50    33 S   CT   _C24    81     1.55946   120.98279  -153.61944
   51    44 S   CT   _C26    98     1.54971   108.82234   -73.71440
   52    51 S   HC   _H54    99     1.08064   108.62723    62.34102
   53    51 S   HC   _H55   100     1.08101   108.61790   -57.64877
   54    51 S   HC   _H56   101     1.08074   108.62700  -177.66209
   55    45 S   C5A  _C5_    46     1.37577   106.12050  -180.00000
   56    55 S   HA   _H38    47     1.07960   133.75683  -179.98022
   57    47 S   CT   _C12    55     1.53466   116.86733  -149.56507
   58    57 S   HC   _H42    56     1.09472   110.48903    99.18803
   59    57 S   HC   _H43    57     1.09267   106.68572  -146.48005
   60    50 S   OH   _O37    82     1.47236   103.72935   179.49915
   61    60 S   HO   _H67    83     0.95774   103.87115   180.00000
   62    55 S   OA   _O30    48     1.35835   110.52063     0.02798
   63    57 S   CT   _C19    58     1.52039   111.62996   -25.10817
   64    63 S   HC   _H52    59     1.09462   103.08491   -47.54526
   65    43 S   C5A  _C6_    49     1.37523   126.86822  -140.40580
   66    65 S   HA   _H39    50     1.08074   133.90501    -0.09691
   67    63 S   CT   _C21    60     1.57485   116.61924  -158.53190
   68    67 S   CT   _C14    61     1.54717   112.43682   -65.72364
   69    68 S   HC   _H46    62     1.09149   110.98133   -91.61917
   70    68 S   HC   _H47    63     1.09327   111.39150    27.98995
   71    67 S   CT   _C16    74     1.54034   104.32124   166.14685
   72    71 S   HC   _H49    75     1.10527   107.22170   -49.63100
   73    68 S   OS   _O33    64     1.44570   116.55238   148.74827
   74    71 S   CO4  _C8_    76     1.50950   111.24361    60.81947
   75    74 S   O    _O27    77     1.22684   123.30678   121.09185
   76    73 S   CO4  _C9_    65     1.35260   120.40257   -48.91416
   77    76 S   O    _O28    66     1.22674   122.38185  -159.70558
   78    74 S   CT   _C17    78     1.54226   113.52230   -62.07267
   79    78 S   HC   _H50    79     1.09472   106.06668   -66.21554
   80    76 S   CT   _C11    67     1.50117   115.00801    20.92079
   81    80 S   HC   _H40    68     1.09634   106.97360   149.71483
   82    80 S   HC   _H41    69     1.09063   108.74916   -93.22696
   83    63 S   CT   _C23    80     1.60734   111.29601    65.61355
   84    78 S   OH   _O36    88     1.41969   106.82088   177.63943
   85    84 S   HO   _H66    89     0.97093   106.84515    59.99197
   86    67 S   CT   _C20    70     1.53713   117.20226    60.21478
   87    86 S   HC   _H53    71     1.09620   111.57203    30.37220
   88    83 S   CT   _C27    84     1.56678   112.74544    75.77071
   89    88 S   HC   _H57    85     1.07652   107.78536   -63.80019
   90    88 S   HC   _H58    86     1.07506   107.84341   176.13700
   91    88 S   HC   _H59    87     1.07675   107.78792    56.10280
   92    86 S   OS   _O35    72     1.46064   106.28953   146.69057
   93    92 S   CT   _C25    73     1.44955   110.01238   -21.50546
   94    93 S   CT   _C28    90     1.52756   109.30298   120.51716
   95    94 S   HC   _H60    91     1.08857   109.78625    63.19566
   96    94 S   HC   _H61    92     1.08823   109.77592   -56.81482
   97    94 S   HC   _H62    93     1.08869   109.78563  -176.77220
   98    93 S   CT   _C29    94     1.53484   106.92233  -122.38661
   99    98 S   HC   _H63    95     1.08656   109.43388   -67.57746
  100    98 S   HC   _H64    96     1.08702   109.44726   172.50525
  101    98 S   HC   _H65    97     1.08589   109.48804    52.48081
  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
  15   7   2   1   1   9   3   9  20   7  11  19   6   4  15   7
   6  19   6   2   1   1   4   2  11   5   4   5   1   2  22   7
   1   1  21  14   5   4  21   8   6  12   5   7   4   9   4   6
   4   3   7   2   1   5   2   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    83    50    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    63    78    83    50    60    61    88    51  
   38    39    40    44    83    50    60  
   36    37  
   37  
    0  
   39    40    41    42    43    44    83    50    60  
   40    41    50  
   41    42    43    45    65    44    47    50    51  
   42    43    45    46    55    62    65    66    44    47    48    49    57    83    50    60    51    52    53    54  
   43    45    65    44    47    50    51  
   45    46    55    56    62    65    66    44    47    50    51  
   47    48    49    57    58    59    63    78    83    50    60    61    88    51    52    53    54    45    65  
   46    55    56    62    65    66  
   55    56    62    65  
   48    49    57    58    59    63    64    67    83    50    60    51    52    53    54  
   49    57    58    59    63    50    51  
   57    58    59    63    50    51  
   60    61    88    89    90    91    84    51    52    53    54    57    63    64    67    74    78    79    83  
   52    53    54    57    60    83  
   53    54  
   54  
    0  
   56    62    65    66  
   62    65  
   58    59    63    64    67    68    86    71    78    83    88  
   59    63    64    67    83  
   63    64    67    83  
   61    88    63    78    83  
   83  
   65    66  
   64    67    68    69    70    73    80    86    87    92    93    71    72    74    78    79    83    88    89    90    91    84  
   67    68    86    71    78    83    88  
   66  
    0  
   68    69    70    73    76    80    81    82    86    87    92    93    71    72    74    75    78    83    88    94    98  
   69    70    73    76    77    80    86    87    92    93    71    72    74    83  
   70    73    76    86    71  
   73    76    86    71  
   72    74    75    78    79    83    84    94    95    96    97    98    99   100   101    73    80    86    87    92    93  
   74    75    78    94    98    86    92    93  
   76    77    80    81    82    86  
   75    78    79    83    88    84    85    94    98    86    92    93  
   78    79    83    84    93  
   77    80    81    82    86    87    92  
   80    81    82    86  
   79    83    88    89    90    91    84    85    93  
   83    88    84    85  
   81    82    86    87    92    93  
   82    86    87    92  
   86    87    92  
   88    89    90    91    84    85    86  
   85    88  
    0  
   87    92    93    94    98  
   92    93  
   89    90    91  
   90    91  
   91  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   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    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  1.522
   33    50   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   41    42   340.000  1.090
   41    43   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    65   546.000  1.367
   45    46   367.000  1.080
   45    55   546.000  1.367
   55    56   367.000  1.080
   55    62   340.000  1.360
   62    65   340.000  1.360
   65    66   367.000  1.080
   44    47   268.000  1.529
   44    50   268.000  1.529
   44    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    83   268.000  1.529
   67    68   268.000  1.529
   67    86   268.000  1.529
   67    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   320.000  1.410
   73    76   214.000  1.327
   76    77   570.000  1.229
   76    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    86   268.000  1.529
   86    87   340.000  1.090
   86    92   320.000  1.410
   92    93   320.000  1.410
   93    71   268.000  1.529
   93    94   268.000  1.529
   93    98   268.000  1.529
   71    72   340.000  1.090
   71    74   317.000  1.522
   74    75   570.000  1.229
   74    78   317.000  1.522
   78    79   340.000  1.090
   78    83   268.000  1.529
   78    84   320.000  1.410
   83    50   268.000  1.529
   83    88   268.000  1.529
   50    60   320.000  1.410
   60    61   553.000  0.945
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   84    85   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
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    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  110.18000
   29    33    50    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    50    44    58.35000  112.70000
   33    50    83    58.35000  112.70000
   33    50    60    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    85.00000  111.85700
   40    41    44    50.00000  109.50000
   41    43    45    60.00000  130.00000
   41    43    65    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    50    58.35000  112.70000
   41    44    51    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    55    70.00000  107.30000
   43    65    62    70.00000  110.60000
   43    65    66    35.00000  132.10000
   45    55    56    35.00000  132.10000
   45    55    62    70.00000  110.60000
   55    45    46    35.00000  125.70000
   55    62    65    70.00000  106.50000
   62    55    56    35.00000  113.40000
   62    65    66    35.00000  113.40000
   65    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    57    58.35000  112.70000
   44    50    83    58.35000  112.70000
   44    50    60    50.00000  109.50000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    54    37.50000  110.70000
   47    57    58    37.50000  110.70000
   47    57    59    37.50000  110.70000
   47    57    63    58.35000  112.70000
   49    47    48    33.00000  107.80000
   57    47    48    37.50000  110.70000
   57    47    49    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    67    58.35000  112.70000
   57    63    83    58.35000  112.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    67    68    58.35000  112.70000
   63    67    86    58.35000  112.70000
   63    67    71    58.35000  112.70000
   63    83    78    58.35000  112.70000
   63    83    50    58.35000  112.70000
   63    83    88    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    73    50.00000  109.50000
   67    86    80    58.35000  112.70000
   67    86    87    37.50000  110.70000
   67    86    92    50.00000  109.50000
   67    71    93    58.35000  112.70000
   67    71    72    37.50000  110.70000
   67    71    74    63.00000  111.10000
   68    73    76    83.00000  116.90000
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   73    76    77    83.00000  123.40000
   73    76    80    81.00000  111.40000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    86    63.00000  111.10000
   80    76    77    80.00000  120.40000
   80    86    87    37.50000  110.70000
   80    86    92    50.00000  109.50000
   82    80    81    33.00000  107.80000
   86    67    68    58.35000  112.70000
   86    80    81    37.50000  110.70000
   86    80    82    37.50000  110.70000
   86    92    93    60.00000  109.50000
   92    86    87    35.00000  109.50000
   92    93    71    50.00000  109.50000
   92    93    94    50.00000  109.50000
   92    93    98    50.00000  109.50000
   93    71    72    37.50000  110.70000
   93    71    74    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
   71    67    68    58.35000  112.70000
   71    67    86    58.35000  112.70000
   71    74    75    80.00000  120.40000
   71    74    78    70.00000  116.00000
   74    71    72    35.00000  109.50000
   74    78    79    35.00000  109.50000
   74    78    83    63.00000  111.10000
   74    78    84    90.00000  109.61100
   78    74    75    80.00000  120.40000
   78    83    50    58.35000  112.70000
   78    83    88    58.35000  112.70000
   78    84    85    55.00000  108.50000
   83    63    64    37.50000  110.70000
   83    63    67    58.35000  112.70000
   83    78    79    37.50000  110.70000
   83    50    60    50.00000  109.50000
   83    88    89    37.50000  110.70000
   83    88    90    37.50000  110.70000
   83    88    91    37.50000  110.70000
   50    33    34    37.50000  110.70000
   50    33    38    63.00000  111.10000
   50    44    47    58.35000  112.70000
   50    60    61    55.00000  108.50000
   88    83    50    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   84    78    79    35.00000  109.50000
   84    78    83    50.00000  109.50000
   94    93    71    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    71    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
   51    44    47    58.35000  112.70000
   51    44    50    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    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
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   78    83    88    90   0.15000  1.0 3.0
   78    83    88    91   0.15000  1.0 3.0
   79    78    83    63   0.15000  1.0 3.0
   79    78    83    50   0.15000  1.0 3.0
   79    78    83    88   0.15000  1.0 3.0
   79    78    84    85   0.19450  1.0 3.0
   83    63    67    68   0.56750  1.0 1.0
   83    63    67    68  -0.07550 -1.0 2.0
   83    63    67    68   0.20000  1.0 3.0
   83    63    67    86   0.56750  1.0 1.0
   83    63    67    86  -0.07550 -1.0 2.0
   83    63    67    86   0.20000  1.0 3.0
   83    63   -67    71   0.56750  1.0 1.0
   83    63   -67    71  -0.07550 -1.0 2.0
   83    63   -67    71   0.20000  1.0 3.0
   83    78    84    85  -0.11600  1.0 1.0
   83    78    84    85  -0.09450 -1.0 2.0
   83    78    84    85   0.21250  1.0 3.0
   83    50    60    61  -0.11600  1.0 1.0
   83    50    60    61  -0.09450 -1.0 2.0
   83    50    60    61   0.21250  1.0 3.0
   50    33    38    39   0.30150 -1.0 2.0
   50    33   -38    40   0.36750  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44   -47    57   0.56750  1.0 1.0
   50    44   -47    57  -0.07550 -1.0 2.0
   50    44   -47    57   0.20000  1.0 3.0
   50    44    51    52   0.15000  1.0 3.0
   50    44    51    53   0.15000  1.0 3.0
   50    44    51    54   0.15000  1.0 3.0
   50    83    88    89   0.15000  1.0 3.0
   50    83    88    90   0.15000  1.0 3.0
   50    83    88    91   0.15000  1.0 3.0
   88    83    50    33   0.56750  1.0 1.0
   88    83    50    33  -0.07550 -1.0 2.0
   88    83    50    33   0.20000  1.0 3.0
   88    83    50    44   0.56750  1.0 1.0
   88    83    50    44  -0.07550 -1.0 2.0
   88    83    50    44   0.20000  1.0 3.0
   88    83    50    60   0.86500  1.0 1.0
   88    83    50    60  -0.17500 -1.0 2.0
   88    83    50    60   0.20800  1.0 3.0
   84    78    83    63   0.86500  1.0 1.0
   84    78    83    63  -0.17500 -1.0 2.0
   84    78    83    63   0.20800  1.0 3.0
   84    78    83    50   0.86500  1.0 1.0
   84    78    83    50  -0.17500 -1.0 2.0
   84    78    83    50   0.20800  1.0 3.0
   84    78    83    88   0.86500  1.0 1.0
   84    78    83    88  -0.17500 -1.0 2.0
   84    78    83    88   0.20800  1.0 3.0
   94    93    71    67   0.56750  1.0 1.0
   94    93    71    67  -0.07550 -1.0 2.0
   94    93    71    67   0.20000  1.0 3.0
   94    93    71    72   0.15000  1.0 3.0
   94    93    71    74  -0.95700  1.0 1.0
   94    93    71    74  -0.18200 -1.0 2.0
   94    93    71    74   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    71    67   0.56750  1.0 1.0
   98    93    71    67  -0.07550 -1.0 2.0
   98    93    71    67   0.20000  1.0 3.0
   98    93    71    72   0.15000  1.0 3.0
   98    93    71    74  -0.95700  1.0 1.0
   98    93    71    74  -0.18200 -1.0 2.0
   98    93    71    74   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
   51    44    47    48   0.15000  1.0 3.0
   51    44    47    49   0.15000  1.0 3.0
   51    44    47    57   0.56750  1.0 1.0
   51    44    47    57  -0.07550 -1.0 2.0
   51    44    47    57   0.20000  1.0 3.0
   51    44    50    33   0.56750  1.0 1.0
   51    44    50    33  -0.07550 -1.0 2.0
   51    44    50    33   0.20000  1.0 3.0
   51    44    50    83   0.56750  1.0 1.0
   51    44    50    83  -0.07550 -1.0 2.0
   51    44    50    83   0.20000  1.0 3.0
   51    44    50    60   0.86500  1.0 1.0
   51    44    50    60  -0.17500 -1.0 2.0
   51    44    50    60   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   45    65    43    41   4.00000 -1.0 2.0
   55    46    45    43   1.10000 -1.0 2.0
   62    56    55    45   1.10000 -1.0 2.0
   62    66    65    43   1.10000 -1.0 2.0
   73    80    76    77  10.50000 -1.0 2.0
   71    78    74    75  10.50000 -1.0 2.0
END
