* LIGAND DATABASE FILE (OPLS2005)
*
001     111   116    215    343     630
    1     0 S   NP   _N1_     1    28.85734    94.88718   -18.98223
    2     1 S   H    _HN1     2     1.02841    37.89464   142.11721
    3     1 S   H    _H1_     3     1.02780    75.68373   -70.34617
    4     1 S   H    _H2_     4     1.02960    99.37270    36.29414
    5     1 S   CT   _CA1     5     1.50052   143.64671  -178.47402
    6     5 S   HC   _HA1     6     1.09575   105.32999    34.51202
    7     5 S   CO3  _C1_     7     1.53752   112.28294   -85.82909
    8     7 S   O2Z  _O11     8     1.26327   115.00048   -48.36643
    9     7 S   O2Z  _O12     9     1.26212   114.79887   131.02700
   10     5 S   CT   _CB1    10     1.53073   107.49372   152.40568
   11    10 S   HC   HB11    11     1.09819   109.39165   -52.22639
   12    10 S   HC   HB12    12     1.09831   110.39011    64.28852
   13    10 S   CT   _CG1    13     1.53021   112.62626  -173.43335
   14    13 S   HC   HG11    14     1.09612   110.31111   -60.20857
   15    13 S   HC   HG12    15     1.09621   110.20862    59.02049
   16    13 S   C    _CD1    16     1.51758   112.10596   179.32189
   17    16 S   O    _OE1    17     1.22729   123.17565   -12.11954
   18    16 S   N    _N2_    18     1.38585   111.67302   168.34668
   19    18 S   H    _HN2    19     1.01585   119.07758     1.98554
   20    18 S   CT1  _CA2    20     1.46240   123.37619  -176.75237
   21    20 S   HC   _HA2    21     1.09725   109.41555   -13.31066
   22    20 S   C    _C2_    22     1.53381   108.38937  -129.15926
   23    22 S   O    _O2_    23     1.23008   122.28273  -145.99718
   24    20 S   CT   _CB2    32     1.53397   111.09227   108.68966
   25    24 S   HC   HB21    33     1.09522   109.60858    56.12073
   26    24 S   HC   HB22    34     1.09515   110.70367   174.54892
   27    22 S   N    _N3_    24     1.38524   113.34755    41.39393
   28    27 S   H    _HN3    25     1.01529   118.90195    -0.55391
   29    24 S   S    _SG2    35     1.82963   111.67778   -66.05429
   30    27 S   CT   _CA3    26     1.45451   123.43848   175.13877
   31    30 S   HC   HA31    27     1.09525   109.22263    24.61017
   32    30 S   HC   HA32    28     1.09497   107.12150   141.61199
   33    29 S   CT   _C27    36     1.84770    99.65685   154.78843
   34    33 S   HC   _H5_    37     1.09417   105.60341    35.91782
   35    30 S   CO3  _C3_    29     1.52930   113.14450   -98.85856
   36    35 S   O2Z  _O31    30     1.26401   115.42108   -44.01306
   37    35 S   O2Z  _O32    31     1.26359   114.97581   136.93674
   38    33 S   CM   _C28    38     1.52971   107.85714   152.44541
   39    33 S   CT   _C26    46     1.54927   109.28967   -81.28279
   40    39 S   HC   _H21    47     1.09777   110.01980    45.13328
   41    39 S   HC   _H22    48     1.09646   108.31879   -69.42634
   42    38 S   CMA  _C29    39     1.35650   120.45750  -105.56291
   43    42 S   OM   _O37    40     1.26012   133.07745  -179.27909
   44    42 S   HC   _H23    41     1.09196   112.56688     0.59215
   45    38 S   CT   _C30    42     1.51228   117.69238    75.38523
   46    45 S   HC   _H24    43     1.09412   111.07524   -52.10478
   47    45 S   HC   _H25    44     1.09472   112.74589  -171.84125
   48    45 S   HC   _H26    45     1.09391   110.45558    68.36475
   49    39 S   CT   _C22    49     1.54102   115.70308   167.24983
   50    49 S   CO4  _C21    50     1.55647   111.73875   -76.30184
   51    50 S   O    _O35    51     1.22748   123.99135    47.79220
   52    49 S   OS   _O36   103     1.43161   112.47474    41.41694
   53    50 S   CT   _C17    52     1.52795   114.09410  -133.07272
   54    53 S   HC   _H4_    53     1.09210   112.04569  -178.22601
   55    53 S   CM   _C18    54     1.50044   103.61383    60.48985
   56    55 S   HC   _H14    55     1.08304   121.35482   124.17729
   57    53 S   CT   _C16    99     1.53994   108.80055   -52.51260
   58    57 S   HC   _H12   100     1.09971   109.15309   162.91533
   59    57 S   HC   _H13   101     1.09129   110.89304   -82.18669
   60    55 S   CM   _C19    56     1.34235   114.09437   -60.54950
   61    60 S   CO4  _C20    57     1.46181   120.83608  -174.93469
   62    61 S   O    _O34    58     1.22403   122.34158    -6.87486
   63    61 S   CA   _C12    59     1.47225   115.54587   172.48435
   64    63 S   CA   _C13    60     1.39758   119.48974     9.51608
   65    64 S   CA   _C8_    61     1.41469   119.52863   177.21554
   66    64 S   OS   _O33    95     1.36764   124.36854    -1.59569
   67    65 S   CA   _C9_    62     1.41323   119.63580     2.50655
   68    65 S   CT   _C7_    81     1.52040   121.17259  -178.76489
   69    68 S   HC   _H10    82     1.09522   110.09786    27.56253
   70    68 S   HC   _H11    83     1.09409   109.04092   140.41459
   71    49 S   CT   _C14    96     1.56794   114.38826   162.63834
   72    67 S   CA   _C10    63     1.39654   120.86679    -0.88867
   73    68 S   CM   _C6_    84     1.50470   112.13131   -93.80703
   74    73 S   HC   _H9_    85     1.08975   114.10440    59.01988
   75    71 S   CT   _C15    97     1.56553    96.51241  -166.36528
   76    75 S   HC   _H3_    98     1.09607   112.98270   159.81068
   77    63 S   CA   _C11    64     1.40848   120.50588  -170.73670
   78    72 S   CM   _C31    67     1.45897   119.34648   179.42904
   79    78 S   HC   _H28    68     1.08344   120.28379  -177.15270
   80    73 S   CM   _C5_    86     1.34685   128.31320  -121.63508
   81    75 S   CT   _C23   102     1.56133   102.56372    40.81744
   82    77 S   OH   _O38    65     1.37434   121.92201     1.85615
   83    82 S   HO   _H27    66     0.97299   109.37852    -9.56499
   84    78 S   CM   _C32    69     1.33387   118.84540     4.03794
   85    84 S   HC   _H29    70     1.08699   118.94467   178.60310
   86    80 S   CT   _C4_    87     1.50624   120.25983  -179.53354
   87    86 S   HC   _H6_    88     1.09497   110.23142   120.38009
   88    86 S   HC   _H7_    89     1.09499   110.23523  -119.80736
   89    86 S   HC   _H8_    90     1.09514   112.45751     0.29409
   90    80 S   CT   _C36    91     1.50235   125.57319     0.42613
   91    90 S   HC   _H36    92     1.09507   110.00186   123.21953
   92    90 S   HC   _H37    93     1.09509   109.98919  -117.69214
   93    90 S   HC   _H38    94     1.09130   113.85497     2.96557
   94    81 S   CT   _C24   104     1.53318   116.24611  -147.18929
   95    94 S   HC   _H15   105     1.09699   110.84571  -175.47303
   96    94 S   HC   _H16   106     1.09510   111.91216    68.21523
   97    94 S   HC   _H17   107     1.09454   111.56793   -55.06051
   98    81 S   CT   _C25   108     1.53376   112.61578    88.66134
   99    98 S   HC   _H18   109     1.09677   110.91315   178.88988
  100    98 S   HC   _H19   110     1.09453   111.48315    58.25112
  101    98 S   HC   _H20   111     1.08810   112.14424   -64.36921
  102    84 S   CT   _C33    71     1.50519   122.74386    -0.54823
  103    67 S   OS   _O39    72     1.37082   116.46194   177.88141
  104   102 S   CT   _C34    73     1.53340   109.12940  -126.31941
  105   104 S   HC   _H30    74     1.09606   110.87452  -178.84988
  106   104 S   HC   _H31    75     1.09680   110.86910    63.31218
  107   104 S   HC   _H32    76     1.09564   112.06486   -57.87734
  108   102 S   CT   _C35    77     1.53290   109.67049   113.59979
  109   108 S   HC   _H33    78     1.09644   110.82875   179.60336
  110   108 S   HC   _H34    79     1.09556   111.99372    58.47739
  111   108 S   HC   _H35    80     1.09639   110.95727   -62.60279
  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
  16   7   2   1   1  11  14   5   4   6   2   1   3   2   1   1
  17  14   6  16  12   7  11   4  10   5   4  10  10   4  11  13
  14   7  14   9   4   3   5   9  10   3  10   3   6   8   3   8
   8   1   1  11   4   7   3   2   1   3   2   1   1   7   3   2
   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    45    39    40    41    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    45    46    47    48    39    40    41    49    50    71    52  
   38    42    45    39    40    41    49  
   36    37  
   37  
    0  
   42    43    44    45    46    47    48    39    40    41    49  
   40    41    49    50    51    53    60    66    71    75    81    52    42    45  
   41    49    50    71    52  
   49    50    71    52  
   43    44    45    46    47    48  
   44    45  
   45  
   46    47    48  
   47    48  
   48  
    0  
   50    51    53    54    55    60    61    64    66    71    75    76    57    81    52    94    98  
   51    53    54    55    56    60    66    71    75    57    58    59    81    52  
   53    54    55    71    57    52  
   94    95    96    97    98    99   100   101    53    57    60    66    71    75    76    81  
   54    55    56    60    61    71    75    76    57    58    59    81  
   55    56    60    75    57    58    59  
   56    60    61    62    63    66    71    75    57    58    59  
   60    61    71    57  
   58    59    81    94    98    60    66    71    75    76  
   59    81    71    75    76  
   81    71    75    76  
   61    62    63    64    77    66    71    75    76    81  
   62    63    64    65    72    77    82    66    71    75  
   63    64    77    71  
   64    65    67    72    77    82    83    78    68    66    71  
   65    67    72    77    82   103    68    69    70    73    66    71    75  
   67    72    77    78   102   103    68    69    70    73    74    80    66    71  
   71    75    76    81    67    68    77  
   72    77    82    78    79    84   102   103   104   108    68    69    70    73  
   69    70    73    74    80    86    90    72   103  
   70    73    74    80  
   73    74    80  
   75    76    81    94    98  
   77    82    83    78    79    84    85   102   103  
   74    80    86    87    88    89    90    91    92    93  
   80    86    90  
   76    81    94    95    96    97    98    99   100   101  
   81    94    98  
   82    83    78    79    84   103  
   79    84    85   102   103   104   108    82  
   84    85   102  
   86    87    88    89    90    91    92    93  
   94    95    96    97    98    99   100   101  
   83  
    0  
   85   102   103   104   105   106   107   108   109   110   111  
  102   103   104   108  
   87    88    89    90    91    92    93  
   88    89    90  
   89    90  
   90  
   91    92    93  
   92    93  
   93  
    0  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108  
  108  
  109   110   111  
  110   111  
  111  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   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
  102   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   465.000  1.376
   38    45   317.000  1.510
   42    43   745.000  1.250
   42    44   335.000  1.111
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    49   268.000  1.529
   49    50   317.000  1.522
   49    71   268.000  1.529
   49    52   320.000  1.410
   50    51   570.000  1.229
   50    53   317.000  1.522
   53    54   340.000  1.090
   53    55   317.000  1.510
   53    57   268.000  1.529
   55    56   340.000  1.080
   55    60   549.000  1.340
   60    61   320.000  1.462
   60    71   317.000  1.510
   61    62   570.000  1.229
   61    63   310.000  1.470
   63    64   469.000  1.400
   63    77   469.000  1.400
   64    65   469.000  1.400
   64    66   450.000  1.364
   65    67   469.000  1.400
   65    68   317.000  1.510
   67    72   469.000  1.400
   67   103   450.000  1.364
   72    77   469.000  1.400
   72    78   320.000  1.460
   77    82   450.000  1.364
   82    83   553.000  0.945
   78    79   340.000  1.080
   78    84   549.000  1.340
   84    85   340.000  1.080
   84   102   317.000  1.510
  102   103   320.000  1.410
  102   104   268.000  1.529
  102   108   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   317.000  1.510
   73    74   340.000  1.080
   73    80   549.000  1.340
   80    86   317.000  1.510
   80    90   317.000  1.510
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   66    71   320.000  1.410
   71    75   268.000  1.529
   75    76   340.000  1.090
   75    57   268.000  1.529
   75    81   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   81    52   320.000  1.410
   81    94   268.000  1.529
   81    98   268.000  1.529
   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
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    49    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    44    45.00000  105.30000
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   44    42    43    50.00000  124.16400
   45    38    42    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    49    50    63.00000  111.10000
   39    49    71    58.35000  112.70000
   39    49    52    50.00000  109.50000
   41    39    40    33.00000  107.80000
   49    39    40    37.50000  110.70000
   49    39    41    37.50000  110.70000
   49    50    51    80.00000  120.40000
   49    50    53    70.00000  116.00000
   49    71    60    70.00000  112.02700
   49    71    66    50.00000  109.50000
   49    71    75    58.35000  112.70000
   49    52    81    60.00000  109.50000
   50    53    54    35.00000  109.50000
   50    53    55    70.00000  109.06800
   50    53    57    63.00000  111.10000
   53    50    51    80.00000  120.40000
   53    55    56    35.00000  117.00000
   53    55    60    70.00000  124.00000
   53    57    75    58.35000  112.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   55    53    54    35.00000  109.50000
   55    60    61    65.00000  118.96000
   55    60    71    70.00000  124.00000
   60    55    56    35.00000  120.00000
   60    61    62    80.00000  123.72100
   60    61    63    65.00000  117.02400
   60    71    66    85.00000  110.90400
   60    71    75    70.00000  112.02700
   61    63    64    60.00000  119.52600
   61    63    77    60.00000  119.52600
   63    61    62    75.00000  123.78400
   63    64    65    63.00000  120.00000
   63    64    66    70.00000  120.00000
   63    77    72    63.00000  120.00000
   63    77    82    70.00000  120.00000
   64    65    67    63.00000  120.00000
   64    65    68    70.00000  120.00000
   64    66    71    75.00000  111.00000
   65    67    72    63.00000  120.00000
   65    67   103    70.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    73    70.00000  112.99600
   67    72    77    63.00000  120.00000
   67    72    78    60.00000  120.93500
   67   103   102    75.00000  111.00000
   72    77    82    70.00000  120.00000
   72    78    79    40.00000  117.26300
   72    78    84    60.00000  123.20500
   77    63    64    63.00000  120.00000
   77    82    83    35.00000  113.00000
   78    72    77    60.00000  120.93500
   78    84    85    35.00000  120.00000
   78    84   102    70.00000  124.00000
   84    78    79    35.00000  120.00000
   84   102   103    85.00000  110.90400
   84   102   104    70.00000  112.02700
   84   102   108    70.00000  112.02700
  102    84    85    35.00000  117.00000
  102   104   105    37.50000  110.70000
  102   104   106    37.50000  110.70000
  102   104   107    37.50000  110.70000
  102   108   109    37.50000  110.70000
  102   108   110    37.50000  110.70000
  102   108   111    37.50000  110.70000
  103    67    72    70.00000  120.00000
  104   102   103    50.00000  109.50000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108   102   103    50.00000  109.50000
  108   102   104    58.35000  112.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   68    65    67    70.00000  120.00000
   68    73    74    35.00000  117.00000
   68    73    80    70.00000  124.00000
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   73    80    86    70.00000  124.00000
   73    80    90    70.00000  124.00000
   80    73    74    35.00000  120.00000
   80    86    87    35.00000  109.50000
   80    86    88    35.00000  109.50000
   80    86    89    35.00000  109.50000
   80    90    91    35.00000  109.50000
   80    90    92    35.00000  109.50000
   80    90    93    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    80    86    65.00000  117.92700
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   66    64    65    70.00000  120.00000
   66    71    75    50.00000  109.50000
   71    49    50    63.00000  111.10000
   71    60    61    65.00000  116.34900
   71    75    76    37.50000  110.70000
   71    75    57    58.35000  112.70000
   71    75    81    58.35000  112.70000
   75    57    58    37.50000  110.70000
   75    57    59    37.50000  110.70000
   75    81    52    50.00000  109.50000
   75    81    94    58.35000  112.70000
   75    81    98    58.35000  112.70000
   57    53    54    37.50000  110.70000
   57    53    55    70.00000  112.02700
   57    75    76    37.50000  110.70000
   59    57    58    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    57    58.35000  112.70000
   81    94    95    37.50000  110.70000
   81    94    96    37.50000  110.70000
   81    94    97    37.50000  110.70000
   81    98    99    37.50000  110.70000
   81    98   100    37.50000  110.70000
   81    98   101    37.50000  110.70000
   52    49    50    90.00000  108.74100
   52    49    71    50.00000  109.50000
   94    81    52    50.00000  109.50000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    81    52    50.00000  109.50000
   98    81    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
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
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   71    75    57    59   0.15000  1.0 3.0
   71    75   -81    52   0.62750  1.0 1.0
   71    75   -81    52  -0.30950 -1.0 2.0
   71    75   -81    52   0.27300  1.0 3.0
   71    75    81    94   0.56750  1.0 1.0
   71    75    81    94  -0.07550 -1.0 2.0
   71    75    81    94   0.20000  1.0 3.0
   71    75    81    98   0.56750  1.0 1.0
   71    75    81    98  -0.07550 -1.0 2.0
   71    75    81    98   0.20000  1.0 3.0
   75    81   -52    49   0.06250  1.0 1.0
   75    81   -52    49  -0.01100 -1.0 2.0
   75    81   -52    49   0.28050  1.0 3.0
   75    81    94    95   0.15000  1.0 3.0
   75    81    94    96   0.15000  1.0 3.0
   75    81    94    97   0.15000  1.0 3.0
   75    81    98    99   0.15000  1.0 3.0
   75    81    98   100   0.15000  1.0 3.0
   75    81    98   101   0.15000  1.0 3.0
   76    75    57    53   0.15000  1.0 3.0
   76    75    57    58   0.15000  1.0 3.0
   76    75    57    59   0.15000  1.0 3.0
   76    75    81    52   0.23400  1.0 3.0
   76    75    81    94   0.15000  1.0 3.0
   76    75    81    98   0.15000  1.0 3.0
   57    53    55    56   0.00000  1.0 1.0
   57    53   -55    60   0.09850  1.0 1.0
   57    53   -55    60   0.15250 -1.0 2.0
   57    53   -55    60  -0.50650  1.0 3.0
   57    75    81    52   0.62750  1.0 1.0
   57    75    81    52  -0.30950 -1.0 2.0
   57    75    81    52   0.27300  1.0 3.0
   57    75    81    94   0.56750  1.0 1.0
   57    75    81    94  -0.07550 -1.0 2.0
   57    75    81    94   0.20000  1.0 3.0
   57    75    81    98   0.56750  1.0 1.0
   57    75    81    98  -0.07550 -1.0 2.0
   57    75    81    98   0.20000  1.0 3.0
   81    75    57    53   0.56750  1.0 1.0
   81    75    57    53  -0.07550 -1.0 2.0
   81    75    57    53   0.20000  1.0 3.0
   81    75    57    58   0.15000  1.0 3.0
   81    75    57    59   0.15000  1.0 3.0
   52    49    50    51   0.30150 -1.0 2.0
   52    49    50    53   0.55300  1.0 1.0
   52    49    50    53   1.25850 -1.0 2.0
   52    49    50    53  -0.23600  1.0 3.0
   52    49    71    60   0.61850  1.0 1.0
   52    49    71    60  -0.22750 -1.0 2.0
   52    49    71    60   0.15300  1.0 3.0
   52    49    71    66   1.11900  1.0 1.0
   52    49    71    66  -1.16350 -1.0 2.0
   52    49    71    66  -0.34150  1.0 3.0
   52    49   -71    75   0.62750  1.0 1.0
   52    49   -71    75  -0.30950 -1.0 2.0
   52    49   -71    75   0.27300  1.0 3.0
   52    81    94    95   0.23400  1.0 3.0
   52    81    94    96   0.23400  1.0 3.0
   52    81    94    97   0.23400  1.0 3.0
   52    81    98    99   0.23400  1.0 3.0
   52    81    98   100   0.23400  1.0 3.0
   52    81    98   101   0.23400  1.0 3.0
   94    81    52    49   0.06250  1.0 1.0
   94    81    52    49  -0.01100 -1.0 2.0
   94    81    52    49   0.28050  1.0 3.0
   94    81    98    99   0.15000  1.0 3.0
   94    81    98   100   0.15000  1.0 3.0
   94    81    98   101   0.15000  1.0 3.0
   98    81    52    49   0.06250  1.0 1.0
   98    81    52    49  -0.01100 -1.0 2.0
   98    81    52    49   0.28050  1.0 3.0
   98    81    94    95   0.15000  1.0 3.0
   98    81    94    96   0.15000  1.0 3.0
   98    81    94    97   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    42  15.00000 -1.0 2.0
   43    44    42    38  15.00000 -1.0 2.0
   49    53    50    51  10.50000 -1.0 2.0
   53    56    55    60   1.10000 -1.0 2.0
   61    71    60    55   1.10000 -1.0 2.0
   60    63    61    62  10.50000 -1.0 2.0
   64    77    63    61   4.00000 -1.0 2.0
   65    66    64    63   4.00000 -1.0 2.0
   67    68    65    64   4.00000 -1.0 2.0
   72   103    67    65   4.00000 -1.0 2.0
   77    78    72    67   4.00000 -1.0 2.0
   72    82    77    63   4.00000 -1.0 2.0
   72    79    78    84   1.10000 -1.0 2.0
  102    85    84    78   1.10000 -1.0 2.0
   68    74    73    80  15.00000 -1.0 2.0
   86    90    80    73  15.00000 -1.0 2.0
END
