* LIGAND DATABASE FILE (OPLS2005)
*
001     108   112    215    356     654
    1     0 S   NP   _N1_     1    29.15438    98.49692   -19.18938
    2     1 S   H    _HN1     2     1.02947    64.74486    19.58634
    3     1 S   H    _H1_     3     1.02831    57.58532   152.79793
    4     1 S   H    _H2_     4     1.02788    85.84771   -92.95608
    5     1 S   CT   _CA1     5     1.50101   161.61884    98.29920
    6     5 S   HC   _HA1     6     1.09582   105.16239   106.57591
    7     5 S   CO3  _C1_     7     1.53717   112.42030   -13.51265
    8     7 S   O2Z  _O11     8     1.26361   115.02155   -44.69794
    9     7 S   O2Z  _O12     9     1.26239   114.92090   134.45248
   10     5 S   CT   _CB1    10     1.53093   107.40519  -135.62749
   11    10 S   HC   HB11    11     1.09833   109.18581   -51.07367
   12    10 S   HC   HB12    12     1.09809   110.54223    65.48896
   13    10 S   CT   _CG1    13     1.52992   112.63874  -172.11509
   14    13 S   HC   HG11    14     1.09521   110.48526   -69.00978
   15    13 S   HC   HG12    15     1.09669   109.79378    50.19380
   16    13 S   C    _CD1    16     1.51828   112.20403   170.72288
   17    16 S   O    _OE1    17     1.22734   123.21526    10.72378
   18    16 S   N    _N2_    18     1.38638   111.74478  -169.37342
   19    18 S   H    _HN2    19     1.01580   118.91843     0.79475
   20    18 S   CT1  _CA2    20     1.46329   123.44637   176.09776
   21    20 S   HC   _HA2    21     1.09734   109.42986     1.56348
   22    20 S   C    _C2_    22     1.53536   108.40482  -113.83224
   23    22 S   O    _O2_    23     1.23045   122.33071  -147.57630
   24    20 S   CT   _CB2    32     1.53237   111.39984   123.79888
   25    24 S   HC   HB21    33     1.09468   109.82566    55.98812
   26    24 S   HC   HB22    34     1.09513   110.75562   174.37109
   27    22 S   N    _N3_    24     1.38348   113.62482    39.84955
   28    27 S   H    _HN3    25     1.01585   119.54565    -3.27273
   29    24 S   S    _SG2    35     1.82839   111.07453   -66.73601
   30    27 S   CT   _CA3    26     1.45277   123.26724   177.19139
   31    30 S   HC   HA31    27     1.09547   107.51222   -64.73786
   32    30 S   HC   HA32    28     1.09555   107.99363    51.71497
   33    29 S   CT   _C22    36     1.85029   100.28226   148.25346
   34    33 S   HC   _H9_    37     1.09645   103.25653    38.78659
   35    30 S   CO3  _C3_    29     1.52971   114.04181   173.71322
   36    35 S   O2Z  _O31    30     1.26383   116.06271    -0.54176
   37    35 S   O2Z  _O32    31     1.26424   114.41743   179.51786
   38    33 S   CT   _C21    38     1.53749   110.17756   -76.88129
   39    38 S   HC   _H27    39     1.09689   109.10862   160.39084
   40    38 S   HC   _H28    40     1.09589   110.40984    45.82347
   41    38 S   CT   _C20    41     1.53682   113.66852   -77.87752
   42    41 S   HC   _H8_    42     1.09416   107.38923    65.63937
   43    41 S   CT   _C19    43     1.55922   111.56367   -54.52103
   44    43 S   HC   _H7_    44     1.10000   106.88419   -61.03717
   45    43 S   CT   _C18    45     1.55212   111.26448  -174.89627
   46    45 S   HC   _H25    46     1.09414   110.57231   -72.36242
   47    45 S   HC   _H26    47     1.09583   109.75978   170.71304
   48    43 S   CT   _C24    91     1.57171   111.98473    56.16384
   49    45 S   CT   _C17    48     1.53962   113.76651    50.26373
   50    49 S   HC   _H23    49     1.09766   108.65543    68.26683
   51    49 S   HC   _H24    50     1.09335   108.05421  -176.72529
   52    48 S   CO4  _C25    92     1.55415   108.90347  -173.75948
   53    52 S   O    _O35    93     1.23279   122.69266   -88.72927
   54    48 S   CT   _C29   105     1.55281   111.21239    70.74842
   55    54 S   HC   _H32   106     1.09022   113.09030   -51.05543
   56    54 S   HC   _H33   107     1.09552   111.54696  -173.39173
   57    54 S   HC   _H34   108     1.09587   112.20486    68.25774
   58    49 S   CT   _C16    51     1.53871   112.16487   -53.57140
   59    52 S   CM   _C26    94     1.47914   120.29134    88.88347
   60    59 S   HC   _H29    95     1.08424   117.61898  -173.56788
   61    41 S   CT   _C15    52     1.53596   111.13869  -175.91783
   62    61 S   HC   _H6_    53     1.10320   106.54406    64.89794
   63    58 S   CT   _C30    87     1.54737   110.07282   -67.05752
   64    63 S   HC   _H36    88     1.09311   112.14365  -178.53700
   65    63 S   HC   _H37    89     1.09291   112.97599    60.81766
   66    63 S   HC   _H38    90     1.09479   110.99325   -58.62797
   67    59 S   CM   _C27    96     1.33262   121.07934     5.63193
   68    67 S   HC   _H30    97     1.08716   118.27146  -177.72781
   69    61 S   CT   _C14    54     1.52142   118.23394   -54.00926
   70    69 S   HC   _H21    55     1.09484   112.07946    78.18509
   71    69 S   HC   _H22    56     1.09510   111.60505   -42.46404
   72    67 S   CT   _C28    98     1.49306   123.89129     0.95695
   73    72 S   HC   _H10    99     1.09425   106.72142  -103.19461
   74    69 S   CT   _C13    57     1.53302   104.07100  -161.62932
   75    74 S   HC   _H19    58     1.09545   109.21853   129.95206
   76    74 S   HC   _H20    59     1.09580   110.65446  -111.96387
   77    33 S   CT   _C23   100     1.56901   114.65563   155.96383
   78    72 S   OH   _O36   103     1.42975   108.57682   142.30501
   79    78 S   HO   _H31   104     0.97246   107.94244    60.47781
   80    58 S   CT   _C12    60     1.56179   115.93563   166.04975
   81    80 S   HC   _H5_    61     1.09962   107.10018   -41.33319
   82    77 S   OH   _O37   101     1.44145   107.28467   -44.96352
   83    82 S   HO   _H35   102     0.97128   108.88210  -168.02136
   84    80 S   CT   _C10    62     1.55538   119.37649    81.03318
   85    84 S   HC   _H4_    63     1.09856   108.73868    57.69694
   86    84 S   CT   _C8_    64     1.55779   112.55810   174.53270
   87    86 S   HC   _H3_    65     1.09746   108.66685   -58.65672
   88    84 S   CT   _C11    83     1.53539   112.27397   -59.44650
   89    88 S   HC   _H16    84     1.09463   111.55845   -47.98404
   90    88 S   HC   _H17    85     1.09468   111.85998  -168.97681
   91    88 S   HC   _H18    86     1.09265   110.95709    72.84697
   92    86 S   CT   _C9_    66     1.52325   114.66942    64.81945
   93    92 S   HC   _H14    67     1.09571   111.99796    55.49076
   94    92 S   HC   _H15    68     1.09517   109.63121   -64.40643
   95    92 S   CM   _C5_    69     1.50531   109.21579   175.07487
   96    95 S   CM   _C6_    70     1.34881   120.66245   -29.37762
   97    95 S   CT   _C4_    79     1.50386   114.44685   151.56738
   98    97 S   HC   _H11    80     1.09473   110.12729   -69.83329
   99    97 S   HC   _H12    81     1.09251   113.47455   168.77603
  100    97 S   HC   _H13    82     1.09560   109.96178    49.47479
  101    96 S   CO4  _C7_    71     1.49216   119.45123    -4.27132
  102   101 S   O    _O33    72     1.22690   121.60958  -165.52132
  103    96 S   CT   _C31    74     1.50251   125.17056   177.29890
  104   103 S   HC   _H39    75     1.09386   112.38871   -26.46384
  105   103 S   HC   _H40    76     1.09578   110.93556  -145.57042
  106    86 S   OS   _O34    73     1.44530   108.21607  -173.20413
  107   103 S   OH   _O38    77     1.42049   109.23136    94.45739
  108   107 S   HO   _H41    78     0.97223   107.05226   176.73236
  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  10   5   4   3
  18   8   2   1   1  15   6   5  20   8  22   9  13   6   5  17
  14   5   4  12   5   7   3   2   1  18   7   3  14   6   8   3
   2   1   7   4   8   5   4   6   4   8   4   3   4   2   1  11
   4   1   1  13   8  14   7   5   2   1   1  11   5   4  12  12
   5   2   1   1   6   2   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    77    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    72    77    82  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    61    48    52    67    72    73    77    82    83    78    54  
   38    39    40    41    48    72    77    82  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    58    61    62    69    48    72    77    82  
   40    41    42    43    61    77  
   41    42    43    61    77  
   42    43    44    45    46    47    49    58    61    62    69    70    71    74    80    63    48    52    77    54  
   43    44    45    58    61    62    69    48  
   44    45    46    47    49    50    51    58    61    62    69    48    52    53    59    72    77    82    54    55    56    57  
   45    46    47    49    61    48    52    77    54  
   46    47    49    50    51    58    61    80    63    48    52    77    54  
   47    49    50    51    58    48  
   49    50    51    58    48  
   52    53    59    60    67    72    73    77    82    83    78    54    55    56    57    49    61  
   50    51    58    61    62    69    74    80    81    84    63    64    65    66  
   51    58    61    80    63  
   58    61    80    63  
   53    59    60    67    68    72    77    82    54    55    56    57  
   59    60    67    77    54  
   55    56    57    59    72    77    82  
   56    57    77  
   57    77  
   77  
   61    62    69    70    71    74    75    76    80    81    84    85    86    88    63    64    65    66  
   60    67    68    72    73    77    78  
   67    68    72  
   62    69    70    71    74    75    76    80    81    84    63    64    65    66  
   69    70    71    74    80    63  
   64    65    66    69    74    80    81    84  
   65    66    80  
   66    80  
   80  
   68    72    73    77    82    78    79  
   72    73    77    78  
   70    71    74    75    76    80    81    84  
   71    74    75    76    80  
   74    75    76    80  
   73    77    82    83    78    79  
   77    82    78    79  
   75    76    80    81    84    85    86    88  
   76    80    81    84  
   80    81    84  
   82    83    78    79  
   79    82  
    0  
   81    84    85    86    87    92   106    88    89    90    91  
   84    85    86    88  
   83  
    0  
   85    86    87    92    93    94    95   101   106    88    89    90    91  
   86    87    92   106    88    89    90    91  
   87    92    93    94    95    96   101   102   106    97    88    89    90    91  
   92    93    94    95   101   106    88  
   89    90    91    92   106  
   90    91  
   91  
    0  
   93    94    95    96   101   106   103    97    98    99   100  
   94    95    96   106    97  
   95    96   106    97  
   96   101   102   106   103   104   105   107    97    98    99   100  
  101   102   106   103   104   105   107   108    97    98    99   100  
   98    99   100   101   103  
   99   100  
  100  
    0  
  102   106   103   104   105   107  
  106   103  
  104   105   107   108   106  
  105   107   108  
  107   108  
    0  
  108  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  103   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  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
  106   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  107   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  108   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    77   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    61   268.000  1.529
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    61   268.000  1.529
   58    80   268.000  1.529
   58    63   268.000  1.529
   61    62   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    88   268.000  1.529
   86    87   340.000  1.090
   86    92   268.000  1.529
   86   106   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   317.000  1.510
   95    96   549.000  1.340
   95    97   317.000  1.510
   96   101   320.000  1.462
   96   103   317.000  1.510
  101   102   570.000  1.229
  101   106   214.000  1.327
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   107   320.000  1.410
  107   108   553.000  0.945
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   48    52   317.000  1.522
   48    77   268.000  1.529
   48    54   268.000  1.529
   52    53   570.000  1.229
   52    59   320.000  1.462
   59    60   340.000  1.080
   59    67   549.000  1.340
   67    68   340.000  1.080
   67    72   317.000  1.510
   72    73   340.000  1.090
   72    77   268.000  1.529
   72    78   320.000  1.410
   77    82   320.000  1.410
   82    83   553.000  0.945
   78    79   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    77    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    77    48    58.35000  112.70000
   33    77    72    58.35000  112.70000
   33    77    82    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    61    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    58.35000  112.70000
   41    43    48    58.35000  112.70000
   41    61    58    58.35000  112.70000
   41    61    62    37.50000  110.70000
   41    61    69    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    48    52    63.00000  111.10000
   43    48    77    58.35000  112.70000
   43    48    54    58.35000  112.70000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    58    58.35000  112.70000
   47    45    46    33.00000  107.80000
   49    45    46    37.50000  110.70000
   49    45    47    37.50000  110.70000
   49    58    61    58.35000  112.70000
   49    58    80    58.35000  112.70000
   49    58    63    58.35000  112.70000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    69    58.35000  112.70000
   58    80    74    58.35000  112.70000
   58    80    81    37.50000  110.70000
   58    80    84    58.35000  112.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   61    41    42    37.50000  110.70000
   61    41    43    58.35000  112.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    74    58.35000  112.70000
   69    61    62    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    80    58.35000  112.70000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    84    58.35000  112.70000
   76    74    75    33.00000  107.80000
   80    58    61    58.35000  112.70000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    84    85    37.50000  110.70000
   80    84    86    58.35000  112.70000
   80    84    88    58.35000  112.70000
   84    80    81    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    92    58.35000  112.70000
   84    86   106    50.00000  109.50000
   84    88    89    37.50000  110.70000
   84    88    90    37.50000  110.70000
   84    88    91    37.50000  110.70000
   86    84    85    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    70.00000  112.02700
   86   106   101    83.00000  116.90000
   92    86    87    37.50000  110.70000
   92    95    96    70.00000  124.00000
   92    95    97    65.00000  117.92700
   94    92    93    33.00000  107.80000
   95    92    93    35.00000  109.50000
   95    92    94    35.00000  109.50000
   95    96   101    65.00000  118.96000
   95    96   103    70.00000  124.00000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   96   101   102    80.00000  123.72100
   96   101   106    90.00000  111.29400
   96   103   104    35.00000  109.50000
   96   103   105    35.00000  109.50000
   96   103   107    90.00000  110.39200
  106    86    87    35.00000  109.50000
  106    86    92    50.00000  109.50000
  106   101   102    83.00000  123.40000
  103    96   101    65.00000  116.34900
  103   107   108    55.00000  108.50000
  105   103   104    33.00000  107.80000
  107   103   104    35.00000  109.50000
  107   103   105    35.00000  109.50000
   97    95    96    70.00000  124.00000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   88    84    85    37.50000  110.70000
   88    84    86    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   63    58    61    58.35000  112.70000
   63    58    80    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    52    53    80.00000  120.40000
   48    52    59    65.00000  118.62400
   48    77    72    58.35000  112.70000
   48    77    82    50.00000  109.50000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   52    59    60    40.00000  117.72500
   52    59    67    65.00000  118.96000
   59    52    53    80.00000  123.72100
   59    67    68    35.00000  120.00000
   59    67    72    70.00000  124.00000
   67    59    60    35.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    77    70.00000  112.02700
   67    72    78    90.00000  110.39200
   72    67    68    35.00000  117.00000
   72    77    82    50.00000  109.50000
   72    78    79    55.00000  108.50000
   77    33    34    37.50000  110.70000
   77    33    38    58.35000  112.70000
   77    48    52    63.00000  111.10000
   77    72    73    37.50000  110.70000
   77    82    83    55.00000  108.50000
   78    72    73    35.00000  109.50000
   78    72    77    50.00000  109.50000
   54    48    52    63.00000  111.10000
   54    48    77    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
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  101    96   103   105   0.15000  1.0 3.0
  101    96   103   107   0.09700  1.0 1.0
  101    96   103   107   0.15600 -1.0 2.0
  101    96   103   107  -0.50800  1.0 3.0
  102   101   106    86   3.00000 -1.0 2.0
  106    86    92    93   0.23400  1.0 3.0
  106    86    92    94   0.23400  1.0 3.0
  106    86   -92    95   0.61850  1.0 1.0
  106    86   -92    95  -0.22750 -1.0 2.0
  106    86   -92    95   0.15300  1.0 3.0
  103    96   101   102  -0.64400  1.0 1.0
  103    96   101   102   0.26850 -1.0 2.0
  103    96   101   106  -0.15000  1.0 1.0
  103    96   101   106   0.89550 -1.0 2.0
  103    96   101   106  -0.06900  1.0 3.0
  104   103   107   108   0.19450  1.0 3.0
  105   103   107   108   0.19450  1.0 3.0
   97    95    96   101   7.00000 -1.0 2.0
   97    95    96   103   7.00000 -1.0 2.0
   88    84    86    87   0.15000  1.0 3.0
   88    84    86    92   0.56750  1.0 1.0
   88    84    86    92  -0.07550 -1.0 2.0
   88    84    86    92   0.20000  1.0 3.0
   88    84    86   106   0.62750  1.0 1.0
   88    84    86   106  -0.30950 -1.0 2.0
   88    84    86   106   0.27300  1.0 3.0
   63    58    61    41   0.56750  1.0 1.0
   63    58    61    41  -0.07550 -1.0 2.0
   63    58    61    41   0.20000  1.0 3.0
   63    58    61    62   0.15000  1.0 3.0
   63    58    61    69   0.56750  1.0 1.0
   63    58    61    69  -0.07550 -1.0 2.0
   63    58    61    69   0.20000  1.0 3.0
   63    58    80    74   0.56750  1.0 1.0
   63    58    80    74  -0.07550 -1.0 2.0
   63    58    80    74   0.20000  1.0 3.0
   63    58    80    81   0.15000  1.0 3.0
   63    58    80    84   0.56750  1.0 1.0
   63    58    80    84  -0.07550 -1.0 2.0
   63    58    80    84   0.20000  1.0 3.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    49   0.56750  1.0 1.0
   48    43    45    49  -0.07550 -1.0 2.0
   48    43    45    49   0.20000  1.0 3.0
   48    52    59    60   0.04550  1.0 1.0
   48    52    59    60   0.83000 -1.0 2.0
   48    52    59    60  -0.04000  1.0 3.0
   48    52    59    67  -0.33500  1.0 1.0
   48    52    59    67   1.06600 -1.0 2.0
   48    52    59    67  -0.14000  1.0 3.0
   48    77    82    83  -0.11600  1.0 1.0
   48    77    82    83  -0.09450 -1.0 2.0
   48    77    82    83   0.21250  1.0 3.0
   52    48    77    33  -0.95700  1.0 1.0
   52    48    77    33  -0.18200 -1.0 2.0
   52    48    77    33   0.29450  1.0 3.0
   52    48    77    72  -0.95700  1.0 1.0
   52    48    77    72  -0.18200 -1.0 2.0
   52    48    77    72   0.29450  1.0 3.0
   52    48    77    82  -0.09450  1.0 1.0
   52    48    77    82  -1.12950 -1.0 2.0
   52    48    77    82   0.54000  1.0 3.0
   52    48    54    55  -0.11250  1.0 3.0
   52    48    54    56  -0.11250  1.0 3.0
   52    48    54    57  -0.11250  1.0 3.0
   52    59    67    68   7.00000 -1.0 2.0
   52    59   -67    72   7.00000 -1.0 2.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    67   1.00000 -1.0 2.0
   59    67    72    73   0.00000  1.0 1.0
   59    67    72    77   0.09850  1.0 1.0
   59    67    72    77   0.15250 -1.0 2.0
   59    67    72    77  -0.50650  1.0 3.0
   59    67    72    78   0.67800  1.0 1.0
   59    67    72    78   0.47050 -1.0 2.0
   59    67    72    78  -0.62500  1.0 3.0
   60    59    67    68   7.00000 -1.0 2.0
   60    59    67    72   7.00000 -1.0 2.0
   67    72    77    33   0.34400  1.0 1.0
   67    72    77    33   0.09450 -1.0 2.0
   67    72    77    33   0.11100  1.0 3.0
   67    72   -77    48   0.34400  1.0 1.0
   67    72   -77    48   0.09450 -1.0 2.0
   67    72   -77    48   0.11100  1.0 3.0
   67    72    77    82   1.05650  1.0 1.0
   67    72    77    82   0.15600 -1.0 2.0
   67    72    77    82   0.53150  1.0 3.0
   67    72    78    79  -0.07800  1.0 1.0
   67    72    78    79  -0.21500 -1.0 2.0
   67    72    78    79  -0.03150  1.0 3.0
   68    67    72    73   0.33100  1.0 3.0
   68    67    72    77   0.00000  1.0 1.0
   68    67    72    78   0.00000  1.0 1.0
   72    77    82    83  -0.11600  1.0 1.0
   72    77    82    83  -0.09450 -1.0 2.0
   72    77    82    83   0.21250  1.0 3.0
   73    72    77    33   0.15000  1.0 3.0
   73    72    77    48   0.15000  1.0 3.0
   73    72    77    82   0.23400  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   77    33    38    39   0.15000  1.0 3.0
   77    33    38    40   0.15000  1.0 3.0
   77    33   -38    41   0.56750  1.0 1.0
   77    33   -38    41  -0.07550 -1.0 2.0
   77    33   -38    41   0.20000  1.0 3.0
   77    48    52    53   0.30150 -1.0 2.0
   77    48   -52    59   0.65300  1.0 1.0
   77    48   -52    59  -0.03850 -1.0 2.0
   77    48   -52    59   0.33900  1.0 3.0
   77    48    54    55   0.15000  1.0 3.0
   77    48    54    56   0.15000  1.0 3.0
   77    48    54    57   0.15000  1.0 3.0
   77    72    78    79  -0.11600  1.0 1.0
   77    72    78    79  -0.09450 -1.0 2.0
   77    72    78    79   0.21250  1.0 3.0
   78    72    77    33   0.86500  1.0 1.0
   78    72    77    33  -0.17500 -1.0 2.0
   78    72    77    33   0.20800  1.0 3.0
   78    72    77    48   0.86500  1.0 1.0
   78    72    77    48  -0.17500 -1.0 2.0
   78    72    77    48   0.20800  1.0 3.0
   78    72    77    82   3.75450  1.0 1.0
   54    48    52    53   0.30150 -1.0 2.0
   54    48    52    59   0.65300  1.0 1.0
   54    48    52    59  -0.03850 -1.0 2.0
   54    48    52    59   0.33900  1.0 3.0
   54    48    77    33   0.56750  1.0 1.0
   54    48    77    33  -0.07550 -1.0 2.0
   54    48    77    33   0.20000  1.0 3.0
   54    48    77    72   0.56750  1.0 1.0
   54    48    77    72  -0.07550 -1.0 2.0
   54    48    77    72   0.20000  1.0 3.0
   54    48    77    82   0.86500  1.0 1.0
   54    48    77    82  -0.17500 -1.0 2.0
   54    48    77    82   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   92    97    95    96   1.10000 -1.0 2.0
  101   103    96    95   1.10000 -1.0 2.0
   96   106   101   102  10.50000 -1.0 2.0
   48    59    52    53  10.50000 -1.0 2.0
   52    60    59    67   1.10000 -1.0 2.0
   72    68    67    59   1.10000 -1.0 2.0
END
