* LIGAND DATABASE FILE (OPLS2005)
*
001     105   110    200    331     598
    1     0 S   NP   _N1_     1    30.15685    99.61482   -24.19239
    2     1 S   H    _HN1     2     1.02850    71.10511   -66.28784
    3     1 S   H    _H1_     3     1.02751    51.11616   160.90308
    4     1 S   H    _H2_     4     1.03479   153.99818  -159.06957
    5     1 S   CT   _CA1     5     1.50130    91.82791    45.11971
    6     5 S   HC   _HA1     6     1.09542   104.85740   107.55366
    7     5 S   CO3  _C1_     7     1.53693   113.45016   -12.97850
    8     7 S   O2Z  _O11     8     1.26403   115.10281   -28.53749
    9     7 S   O2Z  _O12     9     1.26245   115.05768   150.92764
   10     5 S   CT   _CB1    10     1.53005   107.39489  -133.93437
   11    10 S   HC   HB11    11     1.09515   109.47930   -38.44149
   12    10 S   HC   HB12    12     1.09841   110.44990    77.15332
   13    10 S   CT   _CG1    13     1.53215   113.05869  -160.90802
   14    13 S   HC   HG11    14     1.09542   110.95128   -92.28209
   15    13 S   HC   HG12    15     1.09612   111.51625    27.05447
   16    13 S   C    _CD1    16     1.51545   109.27886   147.66742
   17    16 S   O    _OE1    17     1.22800   121.83595    86.47590
   18    16 S   N    _N2_    18     1.38572   112.52182   -90.20163
   19    18 S   H    _HN2    19     1.01622   119.13716    -5.02289
   20    18 S   CT1  _CA2    20     1.46248   123.59730   173.26184
   21    20 S   HC   _HA2    21     1.09708   109.24623    -8.97938
   22    20 S   C    _C2_    22     1.53852   108.98637  -124.87084
   23    22 S   O    _O2_    23     1.23084   122.01986  -157.82765
   24    20 S   CT   _CB2    32     1.53527   111.64405   113.42634
   25    24 S   HC   HB21    33     1.09477   108.79792    56.43536
   26    24 S   HC   HB22    34     1.09417   110.16505   175.40236
   27    22 S   N    _N3_    24     1.38304   114.11772    28.68397
   28    27 S   H    _HN3    25     1.01419   119.09098    -1.90403
   29    24 S   S    _SG2    35     1.82509   111.68566   -63.99821
   30    27 S   CT   _CA3    26     1.45325   123.48650   178.44531
   31    30 S   HC   HA31    27     1.09552   107.20511   -70.36309
   32    30 S   HC   HA32    28     1.09556   108.23016    45.99959
   33    29 S   CT   _C27    36     1.88626   102.08769  -177.41336
   34    30 S   CO3  _C3_    29     1.53071   114.37807   168.10238
   35    34 S   O2Z  _O31    30     1.26438   116.36390    -5.98733
   36    34 S   O2Z  _O32    31     1.26416   114.42308   174.10405
   37    33 S   CO4  _C26    37     1.52713   104.05713    82.20781
   38    37 S   O    _O40    38     1.22945   122.57672   -92.64598
   39    33 S   CT   _C28    94     1.55639   114.93403   -38.25912
   40    39 S   HC   _H7_    95     1.09562   109.94143    57.36657
   41    37 S   CA   _C24    39     1.47966   117.69388    82.79191
   42    39 S   CT   _C35    96     1.53946   114.55714   174.75820
   43    42 S   HC   _H26    97     1.09283   112.61637    62.14516
   44    42 S   HC   _H27    98     1.09311   112.18883   -60.19162
   45    42 S   HC   _H28    99     1.09634   109.73778  -180.00000
   46    41 S   CA   _C23    40     1.40366   118.22893    21.10531
   47    46 S   CA   _C22    41     1.41188   116.87260  -177.19279
   48    47 S   HA   _H20    42     1.08878   120.84895   179.39380
   49    46 S   CMA  _C32    85     1.51633   123.23975     4.72866
   50    49 S   OM   _O42    86     1.26919   119.38030   162.61846
   51    47 S   CA   _C21    43     1.39820   122.10421    -0.68386
   52    51 S   HA   _H19    44     1.08819   118.67774  -179.81869
   53    33 S   CM   _C31    87     1.51836   106.80506  -159.50309
   54    51 S   CA   _C20    45     1.39752   120.89169    -0.10835
   55    53 S   CT   _C30    88     1.53303   113.56185    90.55328
   56    55 S   HC   _H22    89     1.09715   108.27413   103.54879
   57    55 S   HC   _H23    90     1.09726   110.25512  -139.10519
   58    54 S   CA   _C16    46     1.47345   119.86497  -179.45320
   59    41 S   CA   _C25    82     1.41336   120.69100  -157.18150
   60    55 S   CT   _C29    91     1.53536   113.18951   -17.74254
   61    60 S   HC   _H8_    92     1.09449   109.46608   -65.80041
   62    58 S   CA   _C15    47     1.40259   119.58258   105.86973
   63    62 S   HA   _H17    48     1.08849   120.25292     0.00000
   64    59 S   OH   _O39    83     1.37492   122.04706    -1.25258
   65    64 S   HO   _H21    84     0.97317   109.15301    -4.11395
   66    60 S   OS   _O41    93     1.43049   112.47166    54.74058
   67    60 S   CT   _C33   100     1.53045   110.83222   174.79519
   68    67 S   HC   _H24   101     1.09709   109.82231    47.64001
   69    67 S   HC   _H25   102     1.09780   109.43854   -70.51035
   70    62 S   CA   _C14    49     1.39477   120.94681  -179.65793
   71    70 S   HA   _H16    50     1.08742   118.49356   179.37693
   72    67 S   CO3  _C34   103     1.53465   115.58243   167.97110
   73    72 S   O2Z  _O44   104     1.26163   116.88366   -15.03998
   74    72 S   O2Z  _O43   105     1.26581   113.99163   165.70358
   75    70 S   CA   _C13    51     1.39940   120.29820    -0.19281
   76    75 S   CA   _C18    52     1.39794   120.05451    -0.33043
   77    58 S   CA   _C17    53     1.40917   122.16141   -74.02353
   78    76 S   CO4  _C19    56     1.48515   119.41470  -178.40333
   79    78 S   O    _O37    57     1.22728   119.52983  -165.08619
   80    77 S   OH   _O38    54     1.37413   116.82386    -0.88889
   81    80 S   HO   _H18    55     0.97332   109.32213   176.53785
   82    78 S   CT   _C6_    58     1.52522   117.36316    18.46704
   83    82 S   HC   _H4_    59     1.09929   105.00450    73.56974
   84    82 S   CT   _C7_    60     1.52600   110.71176   -44.84473
   85    84 S   HC   _H5_    61     1.09866   107.66532   166.05350
   86    75 S   CO4  _C12    62     1.48151   118.37249   178.06568
   87    86 S   O    _O36    63     1.22872   120.24336     2.30927
   88    84 S   CT   _C8_    64     1.52994   111.56529   -74.77743
   89    88 S   HC   _H12    65     1.09812   109.52573    68.27107
   90    88 S   HC   _H13    66     1.09699   110.14123  -174.83491
   91    88 S   CT   _C9_    67     1.53008   110.51444   -52.78953
   92    91 S   HC   _H6_    68     1.09553   109.60096   -64.42597
   93    91 S   OS   _O33    69     1.43087   109.73619    56.09677
   94    91 S   CT   _C10    76     1.52860   110.50122   174.75447
   95    94 S   HC   _H14    77     1.09714   109.79241    48.59522
   96    94 S   HC   _H15    78     1.09779   109.59827   -69.66040
   97    82 S   CT   _C5_    70     1.54212   111.13430  -169.03075
   98    97 S   HC   _H3_    71     1.09654   109.38924   -42.15571
   99    94 S   CO3  _C11    79     1.53351   115.47136   168.77305
  100    99 S   O2Z  _O35    80     1.26132   116.77296   -14.95124
  101    99 S   O2Z  _O34    81     1.26556   114.01942   165.91130
  102    97 S   CT   _C4_    72     1.52974   112.95386  -159.82498
  103   102 S   HC   _H9_    73     1.09357   112.53690   -57.86260
  104   102 S   HC   _H10    74     1.09533   110.23467  -176.93963
  105   102 S   HC   _H11    75     1.09462   110.73235    62.90823
  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  11   5   4   3
  19   2   1   1  14   5  13   7  12   6   3   2   1  11   9   4
   8   2   7   3   7  10   9   5   4  12   4   8   5   8   4   1
   1   4   5   4   3   8   3   2   1   1  11  11   6  12   4   1
   1  16   8  13   7   6   1  10   5   4  11   6  10   6   4   3
   5   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    53    55    66    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    46    59    49    50    53    55    56    57    60    66    39    40    42    43    44    45  
   35    36  
   36  
    0  
   38    41    46    47    54    59    64    49    53    55    66    39    40    42  
   41    46    59    53    39  
   40    42    43    44    45    67    41    49    53    55    60    61    66  
   42    43    44    45    53    60    66  
   46    47    48    51    54    58    59    64    65    49    50    53  
   43    44    45    53    60    66  
   44    45    66  
   45    66  
   66  
   47    48    51    52    54    59    64    49    50    53    55  
   48    51    52    54    58    59    49    50    53  
   51    52    54    49  
   50    53    55    56    57    60    51    59  
   53    55  
   52    54    58    62    77    59    64  
   54    58    59  
   55    56    57    60    61    66    67  
   58    62    63    70    76    77    80    59    64    65  
   56    57    60    61    66    67    68    69    72  
   57    60    61    66    67  
   60    61    66    67  
   62    63    70    71    75    76    77    80    81    78    59    64  
   64    65    62    77  
   61    66    67    68    69    72    73    74  
   66    67    68    69    72  
   63    70    71    75    76    77    80    86  
   70    71    75    77  
   65  
    0  
   67    68    69    72  
   68    69    72    73    74  
   69    72    73    74  
   72    73    74  
   71    75    76    77    78    84    86    87  
   75    76    86  
   73    74  
   74  
    0  
   76    77    80    78    79    82    84    85    86    87    88  
   77    80    81    78    79    82    83    84    86    87    97  
   80    81    78    79    82    86  
   79    82    83    84    85    86    88    93    97    98   102    80  
   82    83    84    97  
   81  
    0  
   83    84    85    86    87    88    89    90    91    93    97    98   102   103   104   105  
   84    85    86    88    93    97    98   102  
   85    86    87    88    89    90    91    92    93    97    98   102    94  
   86    87    88    89    90    91    97  
   87    88    89    90    91    97  
   88  
   89    90    91    92    93    97    94    95    96    99  
   90    91    92    93    94  
   91    92    93    94  
   92    93    97    98   102    94    95    96    99   100   101  
   93    97    94    95    96    99  
   97    98   102   103   104   105    94    95    96    99  
   95    96    99   100   101    97  
   96    99   100   101  
   99   100   101  
   98   102   103   104   105  
  102   103   104   105  
  100   101  
  101  
    0  
  103   104   105  
  104   105  
  105  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   50   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   99   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    53   317.000  1.510
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    46   469.000  1.400
   41    59   469.000  1.400
   46    47   469.000  1.400
   46    49   320.000  1.460
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    58   375.000  1.464
   54    59   469.000  1.400
   58    62   469.000  1.400
   58    77   469.000  1.400
   62    63   367.000  1.080
   62    70   469.000  1.400
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    76   469.000  1.400
   75    86   310.000  1.470
   76    77   469.000  1.400
   76    78   310.000  1.470
   77    80   450.000  1.364
   80    81   553.000  0.945
   78    79   570.000  1.229
   78    82   317.000  1.522
   82    83   340.000  1.090
   82    84   268.000  1.529
   82    97   268.000  1.529
   84    85   340.000  1.090
   84    86   317.000  1.522
   84    88   268.000  1.529
   86    87   570.000  1.229
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   268.000  1.529
   91    92   340.000  1.090
   91    93   320.000  1.410
   91    94   268.000  1.529
   93    97   320.000  1.410
   97    98   340.000  1.090
   97   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    99   317.000  1.522
   99   100   656.000  1.250
   99   101   656.000  1.250
   59    64   450.000  1.364
   64    65   553.000  0.945
   49    50   745.000  1.250
   49    53   465.000  1.376
   53    55   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    66   320.000  1.410
   60    67   268.000  1.529
   66    39   320.000  1.410
   39    40   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.522
   72    73   656.000  1.250
   72    74   656.000  1.250
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  110.18000
   29    33    53    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    53    49    70.00000  124.00000
   33    53    55    65.00000  117.92700
   33    39    66    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   37    41    46    60.00000  119.52600
   37    41    59    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    46    47    63.00000  120.00000
   41    46    49    60.00000  120.93500
   41    59    54    63.00000  120.00000
   41    59    64    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    51    63.00000  120.00000
   46    49    50    85.00000  114.86500
   46    49    53    60.00000  123.20500
   47    51    52    35.00000  120.00000
   47    51    54    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    54    58    60.00000  122.76000
   51    54    59    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    58    62    60.00000  122.76000
   54    58    77    60.00000  122.76000
   54    59    64    70.00000  120.00000
   58    62    63    35.00000  120.00000
   58    62    70    63.00000  120.00000
   58    77    76    63.00000  120.00000
   58    77    80    70.00000  120.00000
   62    70    71    35.00000  120.00000
   62    70    75    63.00000  120.00000
   70    62    63    35.00000  120.00000
   70    75    76    63.00000  120.00000
   70    75    86    60.00000  119.52600
   75    70    71    35.00000  120.00000
   75    76    77    63.00000  120.00000
   75    76    78    60.00000  119.52600
   75    86    84    65.00000  115.47100
   75    86    87    75.00000  123.78400
   76    77    80    70.00000  120.00000
   76    78    79    75.00000  123.78400
   76    78    82    65.00000  115.47100
   77    58    62    63.00000  120.00000
   77    80    81    35.00000  113.00000
   78    76    77    60.00000  119.52600
   78    82    83    35.00000  109.50000
   78    82    84    63.00000  111.10000
   78    82    97    63.00000  111.10000
   82    78    79    80.00000  120.40000
   82    84    85    37.50000  110.70000
   82    84    86    63.00000  111.10000
   82    84    88    58.35000  112.70000
   82    97    93    50.00000  109.50000
   82    97    98    37.50000  110.70000
   82    97   102    58.35000  112.70000
   84    82    83    37.50000  110.70000
   84    86    87    80.00000  120.40000
   84    88    89    37.50000  110.70000
   84    88    90    37.50000  110.70000
   84    88    91    58.35000  112.70000
   86    75    76    60.00000  119.52600
   86    84    85    35.00000  109.50000
   88    84    85    37.50000  110.70000
   88    84    86    63.00000  111.10000
   88    91    92    37.50000  110.70000
   88    91    93    50.00000  109.50000
   88    91    94    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    37.50000  110.70000
   91    88    90    37.50000  110.70000
   91    93    97    60.00000  109.50000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    99    70.00000  109.69300
   93    91    92    35.00000  109.50000
   93    97    98    35.00000  109.50000
   93    97   102    50.00000  109.50000
   97    82    83    37.50000  110.70000
   97    82    84    58.35000  112.70000
   97   102   103    37.50000  110.70000
   97   102   104    37.50000  110.70000
   97   102   105    37.50000  110.70000
  102    97    98    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    50.00000  109.50000
   94    99   100    70.00000  117.00000
   94    99   101    70.00000  117.00000
   96    94    95    33.00000  107.80000
   99    94    95    35.00000  109.50000
   99    94    96    35.00000  109.50000
  101    99   100    80.00000  126.00000
   59    41    46    63.00000  120.00000
   59    54    58    60.00000  122.76000
   59    64    65    35.00000  113.00000
   49    46    47    60.00000  120.93500
   49    53    55    70.00000  124.00000
   53    33    37    70.00000  109.06800
   53    49    50    65.00000  137.10300
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    60    70.00000  112.02700
   55    60    61    37.50000  110.70000
   55    60    66    50.00000  109.50000
   55    60    67    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    66    39    60.00000  109.50000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    72    70.00000  109.69300
   66    60    61    35.00000  109.50000
   66    39    40    35.00000  109.50000
   66    39    42    50.00000  109.50000
   39    33    37    63.00000  111.10000
   39    33    53    70.00000  112.02700
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   42    39    40    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    66    50.00000  109.50000
   67    72    73    70.00000  117.00000
   67    72    74    70.00000  117.00000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   74    72    73    80.00000  126.00000
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
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   68    67    72    73   0.00000  1.0 1.0
   68    67    72    74   0.00000  1.0 1.0
   69    67    72    73   0.00000  1.0 1.0
   69    67    72    74   0.00000  1.0 1.0
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
   33    41    37    38  10.50000 -1.0 2.0
   46    59    41    37   4.00000 -1.0 2.0
   47    49    46    41   4.00000 -1.0 2.0
   51    48    47    46   1.10000 -1.0 2.0
   54    52    51    47   1.10000 -1.0 2.0
   58    59    54    51   4.00000 -1.0 2.0
   62    77    58    54   4.00000 -1.0 2.0
   70    63    62    58   1.10000 -1.0 2.0
   75    71    70    62   1.10000 -1.0 2.0
   76    86    75    70   4.00000 -1.0 2.0
   77    78    76    75   4.00000 -1.0 2.0
   76    80    77    58   4.00000 -1.0 2.0
   76    82    78    79  10.50000 -1.0 2.0
   75    84    86    87  10.50000 -1.0 2.0
  100    94    99   101  10.50000 -1.0 2.0
   54    64    59    41   4.00000 -1.0 2.0
   46    50    49    53   1.10000 -1.0 2.0
   33    55    53    49   1.10000 -1.0 2.0
   73    67    72    74  10.50000 -1.0 2.0
END
