* LIGAND DATABASE FILE (OPLS2005)
*
001     101   106    197    331     598
    1     0 S   NP   _N1_     1    29.02200    93.00321   -19.03626
    2     1 S   H    _HN1     2     1.02843    30.87627   126.26241
    3     1 S   H    _H1_     3     1.02788    78.50482   -72.10823
    4     1 S   H    _H2_     4     1.02959   108.38692    33.51330
    5     1 S   CT   _CA1     5     1.50091   133.06372   178.17115
    6     5 S   HC   _HA1     6     1.09572   105.30137    33.76141
    7     5 S   CO3  _C1_     7     1.53842   112.20013   -86.55162
    8     7 S   O2Z  _O11     8     1.26364   115.09473   -48.72188
    9     7 S   O2Z  _O12     9     1.26237   114.87038   130.54830
   10     5 S   CT   _CB1    10     1.53078   107.42675   151.64864
   11    10 S   HC   HB11    11     1.09817   109.51817   -50.36745
   12    10 S   HC   HB12    12     1.09837   110.33011    66.17620
   13    10 S   CT   _CG1    13     1.53028   112.65863  -171.52432
   14    13 S   HC   HG11    14     1.09483   110.26051   -57.42367
   15    13 S   HC   HG12    15     1.09597   110.33963    61.72427
   16    13 S   C    _CD1    16     1.51753   111.80440  -178.09741
   17    16 S   O    _OE1    17     1.22752   123.01093   -19.05623
   18    16 S   N    _N2_    18     1.38578   111.89757   161.58915
   19    18 S   H    _HN2    19     1.01534   119.11764     2.74445
   20    18 S   CT1  _CA2    20     1.46270   123.29011  -175.64927
   21    20 S   HC   _HA2    21     1.09724   109.40439   -15.75822
   22    20 S   C    _C2_    22     1.53358   108.24327  -131.72117
   23    22 S   O    _O2_    23     1.23006   122.25302  -145.14872
   24    20 S   CT   _CB2    32     1.53802   111.29584   106.29772
   25    24 S   HC   HB21    33     1.09240   108.61455    57.00289
   26    24 S   HC   HB22    34     1.09384   109.93501   175.59745
   27    22 S   N    _N3_    24     1.38509   113.32665    42.07293
   28    27 S   H    _HN3    25     1.01534   118.91671    -0.30196
   29    24 S   S    _SG2    35     1.82904   111.18827   -64.33727
   30    27 S   CT   _CA3    26     1.45443   123.37583   175.22964
   31    30 S   HC   HA31    27     1.09528   109.14120    26.03990
   32    30 S   HC   HA32    28     1.09493   107.13943   143.03388
   33    29 S   CT   _C17    36     1.88834   103.43702   169.94648
   34    30 S   CO3  _C3_    29     1.52936   113.19838   -97.36818
   35    34 S   O2Z  _O31    30     1.26394   115.44040   -43.30930
   36    34 S   O2Z  _O32    31     1.26360   114.94966   137.61990
   37    33 S   CT   _C18    37     1.57086   112.47314   -51.68447
   38    37 S   HC   _H8_    38     1.09593   107.01048    66.29454
   39    33 S   CT   _C16    58     1.57866   108.83682  -176.88819
   40    39 S   HC   _H7_    59     1.09762   108.47492  -164.63671
   41    33 S   CT   _C19    97     1.56094   104.70830    67.45165
   42    41 S   HC   _H16    98     1.09605   111.73393    55.31678
   43    41 S   HC   _H17    99     1.09462   111.35780   -65.72132
   44    37 S   CT   _C9_    39     1.56266   115.95011   -53.72827
   45    44 S   HC   _H5_    40     1.09345   107.63683    34.64157
   46    39 S   OH   _O36    60     1.43903   107.94649   -51.72888
   47    46 S   HO   _H19    61     0.97290   108.39037  -179.37349
   48    37 S   OH   _O34    95     1.42880   111.28411   179.42529
   49    48 S   HO   _H15    96     0.97355   108.05146   -49.14561
   50    41 S   OH   _O35   100     1.42605   111.41450   175.43975
   51    50 S   HO   _H18   101     0.97310   106.95048  -176.34312
   52    44 S   CT   _C8_    41     1.54924   110.13738   149.99751
   53    52 S   HC   _H4_    42     1.09423   110.72149   -57.69926
   54    52 S   CT   _C7_    43     1.55004   112.96690   173.09689
   55    52 S   OS   _O39    81     1.42901   106.39687    61.16550
   56    54 S   CT   _C6_    44     1.53474   111.67684    18.63603
   57    56 S   HC   _H12    45     1.09744   110.25738   178.16346
   58    56 S   HC   _H13    46     1.09690   109.67350    61.90272
   59    54 S   OS   _O40    82     1.44499   104.04511   -93.95824
   60    54 S   CM   _C28    87     1.52641   112.31986   146.74330
   61    56 S   CT   _C5_    47     1.56014   112.37160   -58.73780
   62    61 S   HC   _H3_    48     1.09354   104.78185   147.89932
   63    60 S   CM   _C29    88     1.34465   123.38154   107.87166
   64    63 S   HC   _H29    89     1.08540   121.35293   179.90513
   65    63 S   HC   _H30    90     1.08450   122.20316    -0.19077
   66    60 S   CT   _C30    91     1.50783   117.12688   -72.07663
   67    66 S   HC   _H31    92     1.09417   110.67128   -66.15193
   68    66 S   HC   _H32    93     1.09370   110.93854    54.48601
   69    66 S   HC   _H33    94     1.09556   112.06968   174.17661
   70    44 S   CT   _C10    49     1.56933   117.48968   -88.12091
   71    61 S   CT   _C4_    83     1.53796   109.34633   -99.21175
   72    71 S   HC   _H9_    84     1.09277   112.87010    74.65250
   73    71 S   HC   _H10    85     1.09617   110.63127   -45.74624
   74    71 S   HC   _H11    86     1.09078   111.80878  -163.05627
   75    70 S   CT   _C11    50     1.55821   111.18249    36.05394
   76    75 S   HC   _H6_    51     1.10012   106.60357   -77.63125
   77    70 S   OS   _O38    68     1.46049   109.55145   -77.99339
   78    75 S   CM   _C12    52     1.50594   117.77863   170.28006
   79    78 S   HC   _H14    53     1.08296   121.94177    42.19975
   80    77 S   CO   _C21    69     1.43889   115.66131   -42.09284
   81    78 S   CM   _C13    54     1.33490   115.16642  -144.79048
   82    80 S   CA   _C22    70     1.51297   107.51543   177.27423
   83    81 S   CO4  _C14    55     1.47349   105.60545     2.08657
   84    83 S   O    _O33    56     1.22297   122.79926  -173.68118
   85    81 S   CT   _C20    64     1.47758   130.23953  -175.52298
   86    85 S   HC   _H21    65     1.09443   110.59853   119.53563
   87    85 S   HC   _H22    66     1.09476   111.40780    -0.49456
   88    85 S   HC   _H23    67     1.09442   110.44887  -120.42961
   89    82 S   CA   _C23    71     1.40508   120.27748   -80.40510
   90    89 S   HA   _H24    72     1.08778   120.28403    -1.05127
   91    75 S   CT   _C15    57     1.54800   118.27200    44.02256
   92    89 S   CA   _C24    73     1.39626   120.87457   178.70125
   93    92 S   HA   _H25    74     1.08623   119.92519   179.72589
   94    91 S   OH   _O37    62     1.41803   114.05608    36.41777
   95    94 S   HO   _H20    63     0.97212   109.26581    60.86104
   96    92 S   CA   _C25    75     1.39241   120.05217    -0.51624
   97    96 S   HA   _H26    76     1.08603   120.07316  -179.91844
   98    96 S   CA   _C26    77     1.39268   119.85357    -0.28531
   99    98 S   HA   _H27    78     1.08633   119.97376  -179.47288
  100    82 S   CA   _C27    79     1.40383   121.38972    96.91795
  101   100 S   HA   _H28    80     1.08737   120.62361     1.09682
  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
  21   2   1   1  21   8  19   7   8   3   2  20   9   5   1   3
   1   1   1  16   7  20   9  16   7   6  10   9  12   7   6   2
   1   3   2   1   1  15   5   2   1   1  12   7   6  10   4   7
   8   9   8   3   4   2   1   1   8   4   2   6   3   1   1   5
   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    91    39    40    46    48    41    42    43    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    52    70    75    83    91    39    40    46    47    94    48    49    41    42    43    50    51  
   35    36  
   36  
    0  
   38    44    45    52    53    54    61    70    75    91    39    40    46    77    55    48    49    41    42    43    50  
   44    45    52    70    39    48    49    41  
   40    46    47    94    95    48    41    42    43    50    44    70    75    76    78    81    83    84    91  
   46    47    94    41    75    83    91  
   42    43    50    51    44    46    48    91  
   43    50    51  
   50    51  
   45    52    53    54    56    61    62    70    75    76    78    91    77    80    55    59    71    60    48    49  
   52    53    54    61    70    75    77    55    48  
   47    94    75    83    91  
   91  
   49    52    70  
    0  
   51  
    0  
   53    54    56    57    58    61    70    75    77    80    82    55    59    60    63    66  
   54    56    70    80    55    59    60  
   56    57    58    61    62    70    77    80    82    55    59    71    60    63    64    65    66    67    68    69  
   59    60    56    70    77    80    82    89   100  
   57    58    61    62    70    75    77    80    59    71    72    73    74    60    63    66  
   58    61    62    70    59    71    60  
   61    62    70    59    71    60  
   60    63    66    61    70    77    80    82    89   100  
   63    64    65    66    67    68    69    61    80  
   62    70    75    76    78    91    77    80    71    72    73    74  
   70    75    77    71    72    73    74  
   64    65    66    67    68    69  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   75    76    78    79    81    83    91    94    77    80    82    71    72    73    74  
   72    73    74    75    77  
   73    74  
   74  
    0  
   76    78    79    81    83    84    91    94    95    85    77    80  
   78    79    81    83    91    94    77  
   80    82    89   100    78    91  
   79    81    83    84    91    94    85    86    87    88  
   81    83    91    85  
   82    89    90    92    98   100   101  
   83    84    91    94    85    86    87    88  
   89    90    92    93    96    98    99   100   101  
   84    91    94    95    85    86    87    88  
   91    94    85  
   86    87    88    91  
   87    88  
   88  
    0  
   90    92    93    96    97    98   100   101  
   92    93    96   100  
   94    95  
   93    96    97    98    99   100  
   96    97    98  
   95  
    0  
   97    98    99   100   101  
   98    99   100  
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.715000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   92   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   98   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  100   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  101   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    39   268.000  1.529
   33    41   268.000  1.529
   37    38   340.000  1.090
   37    44   268.000  1.529
   37    48   320.000  1.410
   44    45   340.000  1.090
   44    52   268.000  1.529
   44    70   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    55   320.000  1.410
   54    56   268.000  1.529
   54    59   320.000  1.410
   54    60   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    70   268.000  1.529
   61    71   268.000  1.529
   70    75   268.000  1.529
   70    77   320.000  1.410
   75    76   340.000  1.090
   75    78   317.000  1.510
   75    91   268.000  1.529
   78    79   340.000  1.080
   78    81   549.000  1.340
   81    83   320.000  1.462
   81    85   317.000  1.510
   83    84   570.000  1.229
   83    91   317.000  1.522
   91    39   268.000  1.529
   91    94   320.000  1.410
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   94    95   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   77    80   320.000  1.380
   80    82   270.000  1.504
   80    55   320.000  1.380
   80    59   320.000  1.380
   82    89   469.000  1.400
   82   100   469.000  1.400
   89    90   367.000  1.080
   89    92   469.000  1.400
   92    93   367.000  1.080
   92    96   469.000  1.400
   96    97   367.000  1.080
   96    98   469.000  1.400
   98    99   367.000  1.080
   98   100   469.000  1.400
  100   101   367.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   60    63   549.000  1.340
   60    66   317.000  1.510
   63    64   340.000  1.080
   63    65   340.000  1.080
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   48    49   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    50   320.000  1.410
   50    51   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    39    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    37    48    50.00000  109.50000
   33    39    91    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    50    50.00000  109.50000
   37    44    45    37.50000  110.70000
   37    44    52    58.35000  112.70000
   37    44    70    58.35000  112.70000
   37    48    49    55.00000  108.50000
   44    37    38    37.50000  110.70000
   44    52    53    37.50000  110.70000
   44    52    54    58.35000  112.70000
   44    52    55    50.00000  109.50000
   44    70    61    58.35000  112.70000
   44    70    75    58.35000  112.70000
   44    70    77    50.00000  109.50000
   52    44    45    37.50000  110.70000
   52    54    56    58.35000  112.70000
   52    54    59    50.00000  109.50000
   52    54    60    70.00000  112.02700
   52    55    80    60.00000  109.50000
   54    52    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    61    58.35000  112.70000
   54    59    80    60.00000  109.50000
   54    60    63    70.00000  124.00000
   54    60    66    65.00000  117.92700
   56    61    62    37.50000  110.70000
   56    61    70    58.35000  112.70000
   56    61    71    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    70    75    58.35000  112.70000
   61    70    77    50.00000  109.50000
   61    71    72    37.50000  110.70000
   61    71    73    37.50000  110.70000
   61    71    74    37.50000  110.70000
   70    44    45    37.50000  110.70000
   70    44    52    58.35000  112.70000
   70    61    62    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    78    70.00000  112.02700
   70    75    91    58.35000  112.70000
   70    77    80    60.00000  109.50000
   75    78    79    35.00000  117.00000
   75    78    81    70.00000  124.00000
   75    91    83    63.00000  111.10000
   75    91    39    58.35000  112.70000
   75    91    94    50.00000  109.50000
   78    75    76    35.00000  109.50000
   78    81    83    65.00000  118.96000
   78    81    85    70.00000  124.00000
   81    78    79    35.00000  120.00000
   81    83    84    80.00000  123.72100
   81    83    91    65.00000  118.62400
   81    85    86    35.00000  109.50000
   81    85    87    35.00000  109.50000
   81    85    88    35.00000  109.50000
   83    91    39    63.00000  111.10000
   83    91    94    90.00000  109.61100
   91    75    76    37.50000  110.70000
   91    75    78    70.00000  112.02700
   91    83    84    80.00000  120.40000
   91    39    40    37.50000  110.70000
   91    39    46    50.00000  109.50000
   91    94    95    55.00000  108.50000
   39    33    37    58.35000  112.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   94    91    39    50.00000  109.50000
   85    81    83    65.00000  116.34900
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   77    70    75    50.00000  109.50000
   77    80    82    90.00000  107.97000
   77    80    55    92.60000  111.55000
   77    80    59    92.60000  111.55000
   80    82    89    60.00000  120.68000
   80    82   100    60.00000  120.68000
   82    89    90    35.00000  120.00000
   82    89    92    63.00000  120.00000
   82   100    98    63.00000  120.00000
   82   100   101    35.00000  120.00000
   89    92    93    35.00000  120.00000
   89    92    96    63.00000  120.00000
   92    89    90    35.00000  120.00000
   92    96    97    35.00000  120.00000
   92    96    98    63.00000  120.00000
   96    92    93    35.00000  120.00000
   96    98    99    35.00000  120.00000
   96    98   100    63.00000  120.00000
   98    96    97    35.00000  120.00000
   98   100   101    35.00000  120.00000
  100    82    89    63.00000  120.00000
  100    98    99    35.00000  120.00000
   55    52    53    35.00000  109.50000
   55    52    54    50.00000  109.50000
   55    80    82    90.00000  107.97000
   59    54    56    50.00000  109.50000
   59    80    82    90.00000  107.97000
   59    80    55    92.60000  111.55000
   71    61    62    37.50000  110.70000
   71    61    70    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   60    54    56    70.00000  112.02700
   60    54    59    85.00000  110.90400
   60    63    64    35.00000  120.00000
   60    63    65    35.00000  120.00000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    69    35.00000  109.50000
   65    63    64    35.00000  117.00000
   66    60    63    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   48    37    38    35.00000  109.50000
   48    37    44    50.00000  109.50000
   41    33    37    58.35000  112.70000
   41    33    39    58.35000  112.70000
   41    50    51    55.00000  108.50000
   43    41    42    33.00000  107.80000
   50    41    42    35.00000  109.50000
   50    41    43    35.00000  109.50000
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
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
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   92    96    98   100   3.62500 -1.0 2.0
   93    92    96    97   3.62500 -1.0 2.0
   93    92    96    98   3.62500 -1.0 2.0
   96    98  -100    82   3.62500 -1.0 2.0
   96    98   100   101   3.62500 -1.0 2.0
   97    96    98    99   3.62500 -1.0 2.0
   97    96    98   100   3.62500 -1.0 2.0
   99    98   100    82   3.62500 -1.0 2.0
   99    98   100   101   3.62500 -1.0 2.0
  100    82    89    90   3.62500 -1.0 2.0
  100    82   -89    92   3.62500 -1.0 2.0
   55    52    54    56   0.62750  1.0 1.0
   55    52    54    56  -0.30950 -1.0 2.0
   55    52    54    56   0.27300  1.0 3.0
   55    52   -54    59   1.11900  1.0 1.0
   55    52   -54    59  -1.16350 -1.0 2.0
   55    52   -54    59  -0.34150  1.0 3.0
   55    52    54    60   0.61850  1.0 1.0
   55    52    54    60  -0.22750 -1.0 2.0
   55    52    54    60   0.15300  1.0 3.0
   55    80    82    89   0.64500  1.0 1.0
   55    80    82    89   0.14800 -1.0 2.0
   55    80    82    89   0.20650  1.0 3.0
   55    80    82   100   0.64500  1.0 1.0
   55    80    82   100   0.14800 -1.0 2.0
   55    80    82   100   0.20650  1.0 3.0
   55    80   -59    54  -0.53350  1.0 1.0
   55    80   -59    54  -0.78350 -1.0 2.0
   55    80   -59    54   0.33750  1.0 3.0
   59    54    56    57   0.23400  1.0 3.0
   59    54    56    58   0.23400  1.0 3.0
   59    54    56    61   0.62750  1.0 1.0
   59    54    56    61  -0.30950 -1.0 2.0
   59    54    56    61   0.27300  1.0 3.0
   59    54    60    63   0.39000  1.0 1.0
   59    54    60    63  -0.05800 -1.0 2.0
   59    54    60    63  -0.55150  1.0 3.0
   59    54    60    66   0.09700  1.0 1.0
   59    54    60    66   0.15600 -1.0 2.0
   59    54    60    66  -0.50800  1.0 3.0
   59    80    82    89   0.64500  1.0 1.0
   59    80    82    89   0.14800 -1.0 2.0
   59    80    82    89   0.20650  1.0 3.0
   59    80    82   100   0.64500  1.0 1.0
   59    80    82   100   0.14800 -1.0 2.0
   59    80    82   100   0.20650  1.0 3.0
   59    80   -55    52  -0.53350  1.0 1.0
   59    80   -55    52  -0.78350 -1.0 2.0
   59    80   -55    52   0.33750  1.0 3.0
   71    61    70    44   0.56750  1.0 1.0
   71    61    70    44  -0.07550 -1.0 2.0
   71    61    70    44   0.20000  1.0 3.0
   71    61    70    75   0.56750  1.0 1.0
   71    61    70    75  -0.07550 -1.0 2.0
   71    61    70    75   0.20000  1.0 3.0
   71    61    70    77   0.62750  1.0 1.0
   71    61    70    77  -0.30950 -1.0 2.0
   71    61    70    77   0.27300  1.0 3.0
   60    54    56    57   0.15000  1.0 3.0
   60    54    56    58   0.15000  1.0 3.0
   60    54    56    61   0.34400  1.0 1.0
   60    54    56    61   0.09450 -1.0 2.0
   60    54    56    61   0.11100  1.0 3.0
   60    54    59    80  -0.77900  1.0 1.0
   60    54    59    80  -0.36900 -1.0 2.0
   60    54    59    80   0.40400  1.0 3.0
   63    60    66    67   0.00000  1.0 1.0
   63    60    66    68   0.00000  1.0 1.0
   63    60    66    69   0.00000  1.0 1.0
   66    60    63    64   7.00000 -1.0 2.0
   66    60    63    65   7.00000 -1.0 2.0
   48    37    44    45   0.23400  1.0 3.0
   48    37    44    52   0.86500  1.0 1.0
   48    37    44    52  -0.17500 -1.0 2.0
   48    37    44    52   0.20800  1.0 3.0
   48    37    44    70   0.86500  1.0 1.0
   48    37    44    70  -0.17500 -1.0 2.0
   48    37    44    70   0.20800  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    44   0.56750  1.0 1.0
   41    33    37    44  -0.07550 -1.0 2.0
   41    33    37    44   0.20000  1.0 3.0
   41    33    37    48   0.86500  1.0 1.0
   41    33    37    48  -0.17500 -1.0 2.0
   41    33    37    48   0.20800  1.0 3.0
   41    33    39    91   0.56750  1.0 1.0
   41    33    39    91  -0.07550 -1.0 2.0
   41    33    39    91   0.20000  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    46   0.86500  1.0 1.0
   41    33    39    46  -0.17500 -1.0 2.0
   41    33    39    46   0.20800  1.0 3.0
   42    41    50    51   0.19450  1.0 3.0
   43    41    50    51   0.19450  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
   75    79    78    81   1.10000 -1.0 2.0
   83    85    81    78   1.10000 -1.0 2.0
   81    91    83    84  10.50000 -1.0 2.0
   89   100    82    80   4.00000 -1.0 2.0
   92    90    89    82   1.10000 -1.0 2.0
   96    93    92    89   1.10000 -1.0 2.0
   98    97    96    92   1.10000 -1.0 2.0
  100    99    98    96   1.10000 -1.0 2.0
   98   101   100    82   1.10000 -1.0 2.0
   54    66    60    63  15.00000 -1.0 2.0
   64    65    63    60  15.00000 -1.0 2.0
END
