* LIGAND DATABASE FILE (OPLS2005)
*
001     102   106    201    333     608
    1     0 S   NP   _N1_     1    28.97470    96.15814   -18.53420
    2     1 S   H    _HN1     2     1.02826    46.71894   145.08640
    3     1 S   H    _H1_     3     1.02765    69.31588   -70.92792
    4     1 S   H    _H2_     4     1.02966    95.31561    36.74040
    5     1 S   CT   _CA1     5     1.50202   151.27398  -169.92089
    6     5 S   HC   _HA1     6     1.09565   105.18838    25.83369
    7     5 S   CO3  _C1_     7     1.54015   112.40423   -94.20577
    8     7 S   O2Z  _O11     8     1.26381   115.04443   -36.18383
    9     7 S   O2Z  _O12     9     1.26265   115.03686   142.68569
   10     5 S   CT   _CB1    10     1.53107   107.32168   143.86011
   11    10 S   HC   HB11    11     1.09819   109.71230   -47.40399
   12    10 S   HC   HB12    12     1.09787   110.09729    69.10766
   13    10 S   CT   _CG1    13     1.52977   112.71868  -168.39967
   14    13 S   HC   HG11    14     1.09517   110.32478   -56.95562
   15    13 S   HC   HG12    15     1.09616   110.16764    62.10209
   16    13 S   C    _CD1    16     1.51856   112.28327  -177.45293
   17    16 S   O    _OE1    17     1.22709   123.25098   -13.37273
   18    16 S   N    _N2_    18     1.38630   111.53684   167.08453
   19    18 S   H    _HN2    19     1.01574   118.84346     3.46871
   20    18 S   CT1  _CA2    20     1.45905   123.65181  -174.51006
   21    20 S   HC   _HA2    21     1.09757   109.09269   -19.28097
   22    20 S   C    _C2_    22     1.53471   107.71535  -134.70151
   23    22 S   O    _O2_    23     1.23004   122.43814  -142.96570
   24    20 S   CT   _CB2    32     1.54304   112.56598   103.02729
   25    24 S   HC   HB21    33     1.09034   111.06795    59.70580
   26    24 S   HC   HB22    34     1.09366   106.58261   177.05483
   27    22 S   N    _N3_    24     1.38568   113.21154    44.08744
   28    27 S   H    _HN3    25     1.01541   118.90997    -0.30774
   29    24 S   S    _SG2    35     1.82468   112.17898   -66.74281
   30    27 S   CT   _CA3    26     1.45422   123.27613   175.28777
   31    30 S   HC   HA31    27     1.09535   109.05538    28.19002
   32    30 S   HC   HA32    28     1.09492   107.18592   145.15227
   33    29 S   CT   _C10    36     1.92414   108.39968   147.18953
   34    30 S   CO3  _C3_    29     1.52923   113.15909   -95.15663
   35    34 S   O2Z  _O31    30     1.26397   115.40930   -45.39820
   36    34 S   O2Z  _O32    31     1.26356   114.98098   135.51476
   37    33 S   CT   _C9_    37     1.68429   109.50444   -77.60252
   38    33 S   CT   _C5_    75     1.70006   117.20389    50.19181
   39    33 S   CT   _C11    96     1.62427   101.00100   167.86227
   40    39 S   HC   _H4_    97     1.09298   107.36510   169.99429
   41    37 S   CO4  _C13    38     1.57340   113.32809   -64.62128
   42    41 S   O    _O36    39     1.23806   120.85040    54.71491
   43    38 S   CT   _C4_    76     1.56659   113.26838   133.86414
   44    43 S   HC   _H8_    77     1.09141   111.91191   -80.47819
   45    43 S   HC   _H9_    78     1.09714   111.20964   161.50160
   46    43 S   HC   _H10    79     1.08924   114.54014    42.99144
   47    38 S   CT   _C25    80     1.58511   114.83368    12.09255
   48    47 S   HC   _H7_    81     1.08783   107.99338   -63.87261
   49    37 S   CT   _C24    92     1.55484   114.97736    48.81122
   50    49 S   HC   _H28    93     1.08604   115.59699    61.50803
   51    49 S   HC   _H29    94     1.08722   111.43496   -61.90612
   52    49 S   HC   _H30    95     1.09235   111.86024  -176.92922
   53    39 S   CO3  _C12    98     1.55791   124.25800   -66.78643
   54    53 S   O2Z  _O34    99     1.26214   116.34400    60.55875
   55    53 S   O2Z  _O33   100     1.26640   114.66186  -123.20865
   56    39 S   OH   _O35   101     1.43666   112.25085    57.96423
   57    56 S   HO   _H15   102     0.97466   106.42101   -60.20311
   58    41 S   CT   _C14    40     1.52149   121.34592  -134.17975
   59    58 S   HC   _H16    41     1.09638   107.57920   144.91491
   60    58 S   HC   _H17    42     1.09319   107.93748   -99.41112
   61    47 S   C5BC _C26    82     1.51103   116.86508   178.98799
   62    47 S   OH   _O41    90     1.42235   110.15188    53.36473
   63    62 S   HO   _H34    91     0.97196   107.99651  -169.48597
   64    58 S   CT   _C15    43     1.50668   111.82892    24.74248
   65    64 S   HC   _H5_    44     1.10326   104.67845    61.04149
   66    61 S   C5BC _C27    83     1.42633   128.08922   -88.46292
   67    66 S   HA   _H31    84     1.08109   127.29999     1.54320
   68    64 S   CT   _C16    45     1.53690   113.19447   -55.20062
   69    64 S   CT   _C21    58     1.52688   120.48563   178.46558
   70    66 S   C5A  _C28    85     1.37429   106.70081  -178.59403
   71    70 S   HA   _H32    86     1.08021   133.81457  -179.65226
   72    68 S   CT   _C17    46     1.54908   117.00160   -55.10262
   73    72 S   HC   _H18    47     1.09126   111.84300    30.29202
   74    72 S   HC   _H19    48     1.09283   112.07693   149.12272
   75    69 S   CT   _C22    59     1.52866   115.49669    35.61774
   76    75 S   HC   _H22    60     1.09621   110.55277   171.09750
   77    75 S   HC   _H23    61     1.09070   112.66060    52.67676
   78    75 S   HC   _H24    62     1.09517   111.46412   -68.47978
   79    69 S   CT   _C23    63     1.53411   111.44669   -88.66262
   80    79 S   HC   _H25    64     1.09621   110.79083  -175.79248
   81    79 S   HC   _H26    65     1.09474   111.59197    63.15128
   82    79 S   HC   _H27    66     1.09620   111.14953   -58.23149
   83    37 S   CT   _C8_    67     1.57200   106.21024   170.32541
   84    83 S   HC   _H3_    68     1.09170   105.29378    43.00945
   85    70 S   OA   _O40    87     1.35646   110.47272     0.81877
   86    72 S   OS   _O37    49     1.44323   115.66593   -90.39053
   87    83 S   CT   _C7_    69     1.53426   111.99588   -68.90936
   88    87 S   HC   _H13    70     1.09363   112.34968   -88.32353
   89    87 S   HC   _H14    71     1.09761   108.34746   155.43899
   90    61 S   C5A  _C29    88     1.38269   126.96504    94.77559
   91    90 S   HA   _H33    89     1.08074   133.37511    -1.48885
   92    86 S   CO4  _C18    50     1.35453   119.73399   -50.53043
   93    92 S   O    _O38    51     1.22643   122.29231  -159.09460
   94    87 S   CT   _C6_    72     1.53274   114.06195    34.77520
   95    94 S   HC   _H11    73     1.09742   105.94509   153.84610
   96    94 S   HC   _H12    74     1.09337   110.79586   -94.40894
   97    92 S   CT   _C19    52     1.50226   115.11363    21.16897
   98    97 S   HC   _H20    53     1.09625   107.11779   151.14434
   99    97 S   HC   _H21    54     1.09263   109.07609   -91.25526
  100    68 S   CT   _C20    55     1.53367    98.35450  -171.08108
  101   100 S   HC   _H6_    56     1.09678   111.67619   -80.76039
  102   100 S   OS   _O39    57     1.45287   106.59832    35.56110
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  31   2   1   1  26  24  12   5  15   6  11   4   3   2  14   6
   8   3   2   1   4   2   1   1   1  12   5   4  10   4   1  22
   8   6   4  20  14   4   2  12   5   4   9   4   3   2   5   3
   2   1  12   5   2   6   6   4   3   1   1   7   4   2   1   1
   5   4   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    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    83    94    38    43    47    49    39    40    53    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    58    68    83    84    87    94    95    96    38    43    44    45    46    47    48    61    62    49    50    51    52    39    40    53    54    55    56    57  
   35    36  
   36  
    0  
   41    42    58    59    60    64    68    72   100    83    84    87    88    89    94    38    43    47    49    50    51    52    39    40    53    56  
   43    44    45    46    47    48    61    66    90    62    63    49    39    40    53    56    41    83    87    88    89    94    95    96  
   40    53    54    55    56    57    41    43    47    49    83    94  
   53    54    55    56    57  
   42    58    59    60    64    65    68    69    83    84    87    49    50    51    52  
   58    59    60    64    83    49  
   44    45    46    47    48    61    62    87    94    95    96  
   45    46    47    94  
   46    47    94  
   47    94  
   48    61    66    67    70    85    90    91    62    63    87    94    95    96  
   61    66    90    62    63    94  
   50    51    52    58    68    83    84    87  
   51    52    83  
   52    83  
   83  
   54    55    56    57  
   55    56  
   56  
   57  
    0  
   59    60    64    65    68    72   100   102    69    75    79    83  
   60    64    65    68    69  
   64    65    68    69  
   66    67    70    71    85    90    91    62    63    94  
   63    66    90    94  
    0  
   65    68    72    73    74    86    97   100   101   102    69    75    76    77    78    79    80    81    82    83    84    87  
   68    72   100   102    69    75    79    83  
   67    70    71    85    90    91  
   70    71    85    90  
   72    73    74    86    92    97    98    99   100   101   102    69    75    79    83    84    87    88    89    94  
   75    76    77    78    79    80    81    82    83    72    97   100   101   102  
   71    85    90    91  
   85    90  
   73    74    86    92    93    97   100   101   102    83    84    87  
   74    86    92   100    83  
   86    92   100    83  
   76    77    78    79    80    81    82   100   102  
   77    78    79   102  
   78    79   102  
   79   102  
   80    81    82   100   102  
   81    82   102  
   82   102  
  102  
   84    87    88    89    94    95    96    86    97   100   101   102  
   87    88    89    94   100  
   90    91  
   92    93    97    98    99   100  
   88    89    94    95    96   100  
   89    94    95    96  
   94    95    96  
   91  
    0  
   93    97    98    99   100   101   102  
   97    98    99   100  
   95    96  
   96  
    0  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.5000   0.0660   0.105000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   86   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  102   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
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    38   268.000  1.529
   33    39   268.000  1.529
   37    41   317.000  1.522
   37    83   268.000  1.529
   37    49   268.000  1.529
   41    42   570.000  1.229
   41    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    69   268.000  1.529
   68    72   268.000  1.529
   68   100   268.000  1.529
   68    83   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    86   320.000  1.410
   86    92   214.000  1.327
   92    93   570.000  1.229
   92    97   317.000  1.522
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   320.000  1.410
  102    69   320.000  1.410
   69    75   268.000  1.529
   69    79   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    38   268.000  1.529
   38    43   268.000  1.529
   38    47   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    61   285.000  1.502
   47    62   320.000  1.410
   61    66   469.000  1.424
   61    90   546.000  1.367
   66    67   367.000  1.080
   66    70   546.000  1.367
   70    71   367.000  1.080
   70    85   340.000  1.360
   85    90   340.000  1.360
   90    91   367.000  1.080
   62    63   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   39    40   340.000  1.090
   39    53   317.000  1.522
   39    56   320.000  1.410
   53    54   656.000  1.250
   53    55   656.000  1.250
   56    57   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    38    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    41    63.00000  111.10000
   33    37    83    58.35000  112.70000
   33    37    49    58.35000  112.70000
   33    38    94    58.35000  112.70000
   33    38    43    58.35000  112.70000
   33    38    47    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    53    70.00000  109.69300
   33    39    56    50.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    58    70.00000  116.00000
   37    83    68    58.35000  112.70000
   37    83    84    37.50000  110.70000
   37    83    87    58.35000  112.70000
   37    49    50    37.50000  110.70000
   37    49    51    37.50000  110.70000
   37    49    52    37.50000  110.70000
   41    58    59    35.00000  109.50000
   41    58    60    35.00000  109.50000
   41    58    64    63.00000  111.10000
   58    41    42    80.00000  120.40000
   58    64    65    37.50000  110.70000
   58    64    68    58.35000  112.70000
   58    64    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68   100    58.35000  112.70000
   64    68    83    58.35000  112.70000
   64    69   102    50.00000  109.50000
   64    69    75    58.35000  112.70000
   64    69    79    58.35000  112.70000
   68    64    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    86    50.00000  109.50000
   68   100    97    58.35000  112.70000
   68   100   101    37.50000  110.70000
   68   100   102    50.00000  109.50000
   68    83    84    37.50000  110.70000
   68    83    87    58.35000  112.70000
   72    86    92    83.00000  116.90000
   74    72    73    33.00000  107.80000
   86    72    73    35.00000  109.50000
   86    72    74    35.00000  109.50000
   86    92    93    83.00000  123.40000
   86    92    97    81.00000  111.40000
   92    97    98    35.00000  109.50000
   92    97    99    35.00000  109.50000
   92    97   100    63.00000  111.10000
   97    92    93    80.00000  120.40000
   97   100   101    37.50000  110.70000
   97   100   102    50.00000  109.50000
   99    97    98    33.00000  107.80000
  100    68    72    58.35000  112.70000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   102    69    60.00000  109.50000
  102   100   101    35.00000  109.50000
  102    69    75    50.00000  109.50000
  102    69    79    50.00000  109.50000
   69    64    65    37.50000  110.70000
   69    64    68    58.35000  112.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   69    79    80    37.50000  110.70000
   69    79    81    37.50000  110.70000
   69    79    82    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    69    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    37    41    63.00000  111.10000
   83    68    72    58.35000  112.70000
   83    68   100    58.35000  112.70000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    94    58.35000  112.70000
   87    83    84    37.50000  110.70000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94    38    58.35000  112.70000
   89    87    88    33.00000  107.80000
   94    87    88    37.50000  110.70000
   94    87    89    37.50000  110.70000
   94    38    43    58.35000  112.70000
   94    38    47    58.35000  112.70000
   96    94    95    33.00000  107.80000
   38    33    37    58.35000  112.70000
   38    94    95    37.50000  110.70000
   38    94    96    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    46    37.50000  110.70000
   38    47    48    37.50000  110.70000
   38    47    61    70.00000  112.17500
   38    47    62    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    38    43    58.35000  112.70000
   47    61    66    60.00000  130.00000
   47    61    90    60.00000  130.00000
   47    62    63    55.00000  108.50000
   61    47    48    35.00000  109.50000
   61    66    67    35.00000  127.50000
   61    66    70    70.00000  107.30000
   61    90    85    70.00000  110.60000
   61    90    91    35.00000  132.10000
   66    70    71    35.00000  132.10000
   66    70    85    70.00000  110.60000
   70    66    67    35.00000  125.70000
   70    85    90    70.00000  106.50000
   85    70    71    35.00000  113.40000
   85    90    91    35.00000  113.40000
   90    61    66    70.00000  107.30000
   62    47    48    35.00000  109.50000
   62    47    61    90.00000  112.51600
   49    37    41    63.00000  111.10000
   49    37    83    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    38    58.35000  112.70000
   39    53    54    70.00000  117.00000
   39    53    55    70.00000  117.00000
   39    56    57    55.00000  108.50000
   53    39    40    35.00000  109.50000
   55    53    54    80.00000  126.00000
   56    39    40    35.00000  109.50000
   56    39    53    95.00000  109.52300
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
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   43    38    47    62   0.86500  1.0 1.0
   43    38    47    62  -0.17500 -1.0 2.0
   43    38    47    62   0.20800  1.0 3.0
   47    38    43    44   0.15000  1.0 3.0
   47    38    43    45   0.15000  1.0 3.0
   47    38    43    46   0.15000  1.0 3.0
   47    61    66    67   3.62500 -1.0 2.0
   47    61    66    70   3.62500 -1.0 2.0
   47    61    90    85   3.62500 -1.0 2.0
   47    61    90    91   3.62500 -1.0 2.0
   48    47    61    66   0.00000  1.0 1.0
   48    47    61    90   0.00000  1.0 1.0
   48    47    62    63   0.19450  1.0 3.0
   61    47    62    63   0.31900  1.0 1.0
   61    47    62    63  -0.11800 -1.0 2.0
   61    47    62    63   0.38750  1.0 3.0
   61    66    70    71   3.62500 -1.0 2.0
   61    66   -70    85   3.62500 -1.0 2.0
   66    61   -90    85   3.62500 -1.0 2.0
   66    61    90    91   3.62500 -1.0 2.0
   66    70   -85    90   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    85   3.62500 -1.0 2.0
   70    85   -90    61   3.62500 -1.0 2.0
   70    85    90    91   3.62500 -1.0 2.0
   71    70    85    90   3.62500 -1.0 2.0
   90    61    66    67   3.62500 -1.0 2.0
   90    61   -66    70   3.62500 -1.0 2.0
   62    47    61    66   0.14300 -1.0 2.0
   62    47    61    66   0.00300  1.0 3.0
   62    47    61    90   0.14300 -1.0 2.0
   62    47    61    90   0.00300  1.0 3.0
   49    37    41    42   0.30150 -1.0 2.0
   49    37    41    58   0.60050  1.0 1.0
   49    37    41    58   0.05600 -1.0 2.0
   49    37    41    58   0.26150  1.0 3.0
   49    37    83    68   0.56750  1.0 1.0
   49    37    83    68  -0.07550 -1.0 2.0
   49    37    83    68   0.20000  1.0 3.0
   49    37    83    84   0.15000  1.0 3.0
   49    37    83    87   0.56750  1.0 1.0
   49    37    83    87  -0.07550 -1.0 2.0
   49    37    83    87   0.20000  1.0 3.0
   39    33    37    41  -0.95700  1.0 1.0
   39    33    37    41  -0.18200 -1.0 2.0
   39    33    37    41   0.29450  1.0 3.0
   39    33    37    83   0.56750  1.0 1.0
   39    33    37    83  -0.07550 -1.0 2.0
   39    33    37    83   0.20000  1.0 3.0
   39    33    37    49   0.56750  1.0 1.0
   39    33    37    49  -0.07550 -1.0 2.0
   39    33    37    49   0.20000  1.0 3.0
   39    33    38    94   0.56750  1.0 1.0
   39    33    38    94  -0.07550 -1.0 2.0
   39    33    38    94   0.20000  1.0 3.0
   39    33    38    43   0.56750  1.0 1.0
   39    33    38    43  -0.07550 -1.0 2.0
   39    33    38    43   0.20000  1.0 3.0
   39    33    38    47   0.56750  1.0 1.0
   39    33    38    47  -0.07550 -1.0 2.0
   39    33    38    47   0.20000  1.0 3.0
   40    39    53    54   0.00000  1.0 1.0
   40    39    53    55   0.00000  1.0 1.0
   40    39    56    57   0.19450  1.0 3.0
   53    39    56    57   0.91850  1.0 1.0
   53    39    56    57   0.57950  1.0 3.0
   56    39    53    54   0.30150 -1.0 2.0
   56    39    53    55   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    58    41    42  10.50000 -1.0 2.0
   86    97    92    93  10.50000 -1.0 2.0
   66    90    61    47   4.00000 -1.0 2.0
   70    67    66    61   1.10000 -1.0 2.0
   85    71    70    66   1.10000 -1.0 2.0
   85    91    90    61   1.10000 -1.0 2.0
   54    39    53    55  10.50000 -1.0 2.0
END
