* LIGAND DATABASE FILE (OPLS2005)
*
001     114   119    220    362     665
    1     0 S   NP   _N1_     1    28.50092    94.70926   -21.88986
    2     1 S   H    _HN1     2     1.02775    92.49209   -84.77341
    3     1 S   H    _H1_     3     1.02957    85.71066    23.47421
    4     1 S   H    _H2_     4     1.02836    32.51192   154.93007
    5     1 S   CT   _CA1     5     1.50137   142.71390   142.02304
    6     5 S   HC   _HA1     6     1.09561   105.22574    66.54707
    7     5 S   CO3  _C1_     7     1.53810   112.50642   -53.76845
    8     7 S   O2Z  _O11     8     1.26377   114.96155   -38.32535
    9     7 S   O2Z  _O12     9     1.26230   115.00029   140.94693
   10     5 S   CT   _CB1    10     1.53100   107.45580  -175.25798
   11    10 S   HC   HB11    11     1.09826   109.51740   -47.95883
   12    10 S   HC   HB12    12     1.09826   110.30456    68.66997
   13    10 S   CT   _CG1    13     1.53027   112.69954  -168.94524
   14    13 S   HC   HG11    14     1.09590   110.54721   -63.28554
   15    13 S   HC   HG12    15     1.09646   109.93657    56.03136
   16    13 S   C    _CD1    16     1.51794   112.25452   176.61951
   17    16 S   O    _OE1    17     1.22723   123.22918     2.84544
   18    16 S   N    _N2_    18     1.38634   111.68016  -177.68810
   19    18 S   H    _HN2    19     1.01577   119.07003     2.64730
   20    18 S   CT1  _CA2    20     1.46234   123.32784  -177.52923
   21    20 S   HC   _HA2    21     1.09746   109.42040    -5.85869
   22    20 S   C    _C2_    22     1.53325   108.54764  -121.59757
   23    22 S   O    _O2_    23     1.23018   122.23666  -143.84956
   24    20 S   CT   _CB2    32     1.53500   111.37654   115.93509
   25    24 S   HC   HB21    33     1.09454   109.46812    57.49965
   26    24 S   HC   HB22    34     1.09420   109.82191   176.36412
   27    22 S   N    _N3_    24     1.38497   113.38194    43.52163
   28    27 S   H    _HN3    25     1.01505   119.00980    -0.49968
   29    24 S   S    _SG2    35     1.82984   110.88581   -63.54452
   30    27 S   CT   _CA3    26     1.45432   123.23861   174.64635
   31    30 S   HC   HA31    27     1.09534   109.04037    28.62486
   32    30 S   HC   HA32    28     1.09488   107.19139   145.63516
   33    29 S   CT   _C28    36     1.86835   101.94055   177.02139
   34    30 S   CO3  _C3_    29     1.52952   113.17921   -94.67288
   35    34 S   O2Z  _O31    30     1.26397   115.44806   -43.38211
   36    34 S   O2Z  _O32    31     1.26361   114.95668   137.50650
   37    33 S   CM   _C10    37     1.51313   108.64430   -60.95513
   38    37 S   HC   _H47    38     1.08813   118.65600    83.36372
   39    33 S   CM   _C14    52     1.54404   108.23030   173.89334
   40    33 S   CO4  _C13    63     1.53053   108.22140    57.63870
   41    40 S   O    _O34    64     1.22684   125.13224  -111.51803
   42    37 S   CM   _C11    39     1.33948   124.13851   -95.41357
   43    42 S   HC   _H48    40     1.08616   119.44855   178.19658
   44    39 S   CMA  _C12    53     1.37761   121.91721   -80.98267
   45    44 S   OM   _O33    54     1.26755   127.39991  -176.90927
   46    42 S   CT   _C29    41     1.50293   121.26234     1.60973
   47    44 S   CA   _C6_    55     1.51897   115.09643     0.41449
   48    46 S   CT   _C20    42     1.55772   106.50332    90.42310
   49    48 S   HC   _H57    43     1.09294   110.63528   -46.92647
   50    48 S   HC   _H58    44     1.10009   108.58244    69.08882
   51    47 S   CA   _C4_    56     1.40729   121.28688   157.57031
   52    51 S   HA   _H45    57     1.08846   120.75609    -4.32454
   53    46 S   OH   _O42   113     1.43330   108.25899  -154.38092
   54    53 S   HO   _H79   114     0.97182   108.67808   -62.26979
   55    48 S   CT   _C31    45     1.53402   114.91907  -169.78182
   56    51 S   CA   _C5_    58     1.39979   121.57622   175.66776
   57    56 S   HA   _H46    59     1.08773   118.42534   179.26219
   58    55 S   CT   _C16    46     1.52361   110.45576    49.97349
   59    58 S   HC   _H49    47     1.09660   110.97169  -174.33971
   60    58 S   HC   _H50    48     1.09465   112.33898    65.07606
   61    56 S   CA   _C8_    60     1.40087   121.08057    -0.90417
   62    55 S   CT   _C34   107     1.53129   110.14704   172.24503
   63    62 S   HC   _H72   108     1.09591   110.66694    59.92437
   64    62 S   HC   _H73   109     1.09511   111.78647   -61.11054
   65    62 S   HC   _H74   110     1.09597   110.92720   177.84878
   66    55 S   OH   _O43   111     1.42914   108.73073   -70.36372
   67    66 S   HO   _H80   112     0.97265   108.11486   177.99114
   68    58 S   CO4  _C15    49     1.51057   108.56271   -55.84693
   69    68 S   O    _O35    50     1.23409   119.47900  -114.14068
   70    61 S   CA   _C9_    61     1.40162   117.94232     1.59973
   71    61 S   CT   _C21    67     1.51708   120.77244   178.85209
   72    71 S   HC   _H59    68     1.09751   109.00894   151.41131
   73    46 S   CT   _C30    51     1.57116   110.62533   -35.65177
   74    47 S   CA   _C7_    62     1.40023   121.74231   -26.23585
   75    70 S   OH   _O38    65     1.37145   117.65796   177.46024
   76    75 S   HO   _H75    66     0.97367   109.11049   173.96457
   77    71 S   CT   _C19    69     1.53042   110.66245   -86.99260
   78    77 S   HC   _H55    70     1.09719   111.30646   -59.31851
   79    77 S   HC   _H56    71     1.09901   110.37725    57.83114
   80    77 S   CT   _C23    72     1.52598   110.69177   178.13512
   81    80 S   HC   _H61    73     1.09672   110.38055    70.36476
   82    73 S   OS   _O44    87     1.45315   112.19232   -84.56517
   83    80 S   CT   _C24    74     1.53181   110.73613   -51.69357
   84    83 S   HC   _H62    75     1.09710   108.90416   -71.00027
   85    80 S   OH   _O40    85     1.42578   109.36071  -172.02578
   86    85 S   HO   _H77    86     0.97273   107.60584   -58.46495
   87    82 S   CO   _C27    88     1.42584   119.93772    70.48776
   88    87 S   HC   _H65    89     1.09093   111.04309    28.00096
   89    83 S   CT   _C26    76     1.53444   110.79853    50.37719
   90    89 S   HC   _H64    77     1.09799   110.37095    66.44292
   91    83 S   OH   _O41    83     1.42682   109.79943   172.17971
   92    91 S   HO   _H78    84     0.97226   108.08906   -58.42734
   93    87 S   CT   _C18    90     1.53204   108.56692   144.65183
   94    93 S   HC   _H53    91     1.09565   110.44069   -51.64368
   95    93 S   HC   _H54    92     1.09692   109.07003  -169.91117
   96    71 S   OS   _O36    78     1.43411   109.88010    34.44691
   97    89 S   CT   _C33    79     1.52519   111.59922  -173.97985
   98    97 S   HC   _H69    80     1.09564   110.91327    60.54777
   99    97 S   HC   _H70    81     1.09396   111.69554   -60.93889
  100    97 S   HC   _H71    82     1.09555   110.28291   178.40076
  101    93 S   CT   _C17    93     1.52671   111.59610    70.06371
  102   101 S   HC   _H51    94     1.09601   109.01889   173.68075
  103   101 S   HC   _H52    95     1.09660   109.51244   -68.95057
  104   101 S   CT   _C22    96     1.52629   110.59085    51.92206
  105   104 S   HC   _H60    97     1.09580   110.02507  -172.73083
  106   104 S   CT   _C25    98     1.53424   110.40017   -51.21148
  107   106 S   HC   _H63    99     1.09667   109.05961   -65.52843
  108   104 S   OH   _O39   105     1.42768   109.26731    69.73348
  109   108 S   HO   _H76   106     0.97226   107.53570    58.61485
  110    87 S   OS   _O37   100     1.43034   113.39738   -92.62756
  111   106 S   CT   _C32   101     1.52449   112.36852   174.58970
  112   111 S   HC   _H66   102     1.09531   111.48900   -65.19190
  113   111 S   HC   _H67   103     1.09568   110.13076   177.00350
  114   111 S   HC   _H68   104     1.09410   111.31094    56.65488
  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
  16   2   1   1  12   5  17  10   3  11   4  11   4  14   9  17
   7   6   7   4   5   1  12   9   3  12   6   5  12   6   3   2
   1   2   1   4   2   7  14   6   5   2   1   1  11   6   5  11
   6   8  12   7   3   1  12   6   8   6   3   1  10   6   5   4
   3   2   1   1  10   5   4  10   6   8   6   3   1   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    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    73    39    44    74    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    68    73    39    44    45    47    70    74    40    41    82  
   35    36  
   36  
    0  
   38    42    43    46    48    73    39    44    74    40    41    53  
   42    43    46    39    40  
   44    45    47    51    74    40    41    82    87    53    42    46    48    58    68    69    73  
   41    75    42    44    47    51    61    70    73    74  
   47    70    74  
   43    46    48    49    50    55    68    73    82    53    54  
   46    48    73    53  
   45    47    51    52    56    70    74    82    46    68    73  
   47    51    74    73  
   48    49    50    55    58    68    69    73    82    87    62    66    53    54  
   51    52    56    57    61    70    74    75    73  
   49    50    55    58    59    60    68    73    82    62    63    64    65    66    67    53    54  
   50    55    58    73    62    66    53  
   55    58    73    62    66    53  
   52    56    57    61    70    74    71  
   56    57    61    74  
   54    55    68    73    82  
   73  
   58    59    60    68    69    73    62    63    64    65    66    67  
   57    61    70    74    75    71    72    77    96  
   61    70    71  
   59    60    68    69    73    82    62    63    64    65    66    67  
   60    68    69    73    62    66  
   68    69    73    62    66  
   70    74    75    76    71    72    77    78    79    80    89    96  
   63    64    65    66    67    68  
   64    65    66  
   65    66  
   66  
   67    68  
    0  
   69    73    82    87  
   73    82  
   74    75    76    71    72    77    96  
   72    77    78    79    80    81    83    89    90    96    97    85    74    75  
   77    78    79    80    89    96  
   82    87    88    93   110  
   75    76  
   76  
    0  
   78    79    80    81    83    84    89    96    91    85    86  
   79    80    81    83    96    85  
   80    81    83    96    85  
   81    83    84    89    90    96    97    91    92    85    86  
   83    84    89    91    85    86  
   87    88    93    94    95   101   106   110  
   84    89    90    96    97    98    99   100    91    92    85    86  
   89    90    96    97    91    92    85  
   86    89    91  
    0  
   88    93    94    95   101   102   103   104   106   107   110   111  
   93    94    95   101   106   110  
   90    96    97    98    99   100    91    92  
   96    97    98    99   100    91  
   92    96    97  
    0  
   94    95   101   102   103   104   105   106   110   108  
   95   101   102   103   104   110  
  101   102   103   104   110  
   97    98    99   100  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104   105   106   107   110   111   108   109  
  103   104   105   106   108  
  104   105   106   108  
  105   106   107   110   111   112   113   114   108   109  
  106   107   110   111   108   109  
  107   110   111   112   113   114   108   109  
  110   111   112   113   114   108  
  109   110   111  
    0  
  111   112   113   114  
  112   113   114  
  113   114  
  114  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  108   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  109   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  110   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   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  1.510
   33    39   317.000  1.510
   33    40   317.000  1.522
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    46   317.000  1.510
   46    48   268.000  1.529
   46    73   268.000  1.529
   46    53   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    58   268.000  1.529
   55    62   268.000  1.529
   55    66   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    68   317.000  1.522
   68    69   570.000  1.229
   68    73   317.000  1.522
   73    39   317.000  1.510
   73    82   320.000  1.410
   39    44   465.000  1.376
   44    45   745.000  1.250
   44    47   320.000  1.460
   47    51   469.000  1.400
   47    74   469.000  1.400
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    70   469.000  1.400
   61    71   317.000  1.510
   70    74   469.000  1.400
   70    75   450.000  1.364
   74    40   310.000  1.470
   40    41   570.000  1.229
   75    76   553.000  0.945
   71    72   340.000  1.090
   71    77   268.000  1.529
   71    96   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    83   268.000  1.529
   80    85   320.000  1.410
   83    84   340.000  1.090
   83    89   268.000  1.529
   83    91   320.000  1.410
   89    90   340.000  1.090
   89    96   320.000  1.410
   89    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   91    92   553.000  0.945
   85    86   553.000  0.945
   82    87   320.000  1.380
   87    88   340.000  1.090
   87    93   250.000  1.527
   87   110   320.000  1.380
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   268.000  1.529
  104   108   320.000  1.410
  106   107   340.000  1.090
  106   110   320.000  1.410
  106   111   268.000  1.529
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
  108   109   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   553.000  0.945
   53    54   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  112.20000
   29    33    39    75.00000  112.20000
   29    33    40    75.00000  110.18000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    39    73    65.00000  117.92700
   33    39    44    70.00000  124.00000
   33    40    74    65.00000  115.47100
   33    40    41    80.00000  120.40000
   37    42    43    35.00000  120.00000
   37    42    46    70.00000  124.00000
   42    37    38    35.00000  120.00000
   42    46    48    70.00000  112.02700
   42    46    73    70.00000  112.02700
   42    46    53    90.00000  110.39200
   46    42    43    35.00000  117.00000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    55    58.35000  112.70000
   46    73    68    63.00000  111.10000
   46    73    39    70.00000  112.02700
   46    73    82    50.00000  109.50000
   46    53    54    55.00000  108.50000
   48    55    58    58.35000  112.70000
   48    55    62    58.35000  112.70000
   48    55    66    50.00000  109.50000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    68    63.00000  111.10000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    37.50000  110.70000
   55    66    67    55.00000  108.50000
   58    68    69    80.00000  120.40000
   58    68    73    70.00000  116.00000
   60    58    59    33.00000  107.80000
   68    58    59    35.00000  109.50000
   68    58    60    35.00000  109.50000
   68    73    39    70.00000  109.06800
   68    73    82    90.00000  108.74100
   73    46    48    58.35000  112.70000
   73    68    69    80.00000  120.40000
   73    39    44    70.00000  124.00000
   73    82    87    60.00000  109.50000
   39    33    37    70.00000  110.12100
   39    44    45    65.00000  137.10300
   39    44    47    60.00000  123.20500
   44    47    51    60.00000  120.93500
   44    47    74    60.00000  120.93500
   47    44    45    85.00000  114.86500
   47    51    52    35.00000  120.00000
   47    51    56    63.00000  120.00000
   47    74    70    63.00000  120.00000
   47    74    40    60.00000  119.52600
   51    56    57    35.00000  120.00000
   51    56    61    63.00000  120.00000
   56    51    52    35.00000  120.00000
   56    61    70    63.00000  120.00000
   56    61    71    70.00000  120.00000
   61    56    57    35.00000  120.00000
   61    70    74    63.00000  120.00000
   61    70    75    70.00000  120.00000
   61    71    72    35.00000  109.50000
   61    71    77    70.00000  112.17500
   61    71    96    85.00000  111.85700
   70    74    40    60.00000  119.52600
   70    75    76    35.00000  113.00000
   74    47    51    63.00000  120.00000
   74    40    41    75.00000  123.78400
   40    33    37    70.00000  109.06800
   40    33    39    70.00000  109.06800
   75    70    74    70.00000  120.00000
   71    61    70    70.00000  120.00000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    80    58.35000  112.70000
   71    96    89    60.00000  109.50000
   77    71    72    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    83    58.35000  112.70000
   77    80    85    50.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    89    58.35000  112.70000
   80    83    91    50.00000  109.50000
   80    85    86    55.00000  108.50000
   83    80    81    37.50000  110.70000
   83    89    90    37.50000  110.70000
   83    89    96    50.00000  109.50000
   83    89    97    58.35000  112.70000
   83    91    92    55.00000  108.50000
   89    83    84    37.50000  110.70000
   89    97    98    37.50000  110.70000
   89    97    99    37.50000  110.70000
   89    97   100    37.50000  110.70000
   96    71    72    35.00000  109.50000
   96    71    77    50.00000  109.50000
   96    89    90    35.00000  109.50000
   97    89    90    37.50000  110.70000
   97    89    96    50.00000  109.50000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   91    83    84    35.00000  109.50000
   91    83    89    50.00000  109.50000
   85    80    81    35.00000  109.50000
   85    80    83    50.00000  109.50000
   82    73    39    85.00000  110.90400
   82    87    88    35.00000  109.50000
   82    87    93    90.00000  108.56700
   82    87   110    92.60000  111.55000
   87    93    94    45.00000  108.72000
   87    93    95    45.00000  108.72000
   87    93   101    75.00000  109.43000
   87   110   106    60.00000  109.50000
   93    87    88    45.00000  112.01100
   93   101   102    37.50000  110.70000
   93   101   103    37.50000  110.70000
   93   101   104    58.35000  112.70000
   95    93    94    33.00000  107.80000
  101    93    94    37.50000  110.70000
  101    93    95    37.50000  110.70000
  101   104   105    37.50000  110.70000
  101   104   106    58.35000  112.70000
  101   104   108    50.00000  109.50000
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  104   106   107    37.50000  110.70000
  104   106   110    50.00000  109.50000
  104   106   111    58.35000  112.70000
  104   108   109    55.00000  108.50000
  106   104   105    37.50000  110.70000
  106   111   112    37.50000  110.70000
  106   111   113    37.50000  110.70000
  106   111   114    37.50000  110.70000
  110    87    88    35.00000  109.50000
  110    87    93    90.00000  108.56700
  110   106   107    35.00000  109.50000
  111   106   107    37.50000  110.70000
  111   106   110    50.00000  109.50000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
  108   104   105    35.00000  109.50000
  108   104   106    50.00000  109.50000
   62    55    58    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    55    58    50.00000  109.50000
   66    55    62    50.00000  109.50000
   53    46    48    50.00000  109.50000
   53    46    73    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
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   80    83    89    96   0.27300  1.0 3.0
   80    83    89    97   0.56750  1.0 1.0
   80    83    89    97  -0.07550 -1.0 2.0
   80    83    89    97   0.20000  1.0 3.0
   80    83    91    92  -0.11600  1.0 1.0
   80    83    91    92  -0.09450 -1.0 2.0
   80    83    91    92   0.21250  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    89   0.15000  1.0 3.0
   81    80    83    91   0.23400  1.0 3.0
   81    80    85    86   0.19450  1.0 3.0
   83    80    85    86  -0.11600  1.0 1.0
   83    80    85    86  -0.09450 -1.0 2.0
   83    80    85    86   0.21250  1.0 3.0
   83    89   -96    71   0.06250  1.0 1.0
   83    89   -96    71  -0.01100 -1.0 2.0
   83    89   -96    71   0.28050  1.0 3.0
   83    89    97    98   0.15000  1.0 3.0
   83    89    97    99   0.15000  1.0 3.0
   83    89    97   100   0.15000  1.0 3.0
   84    83    89    90   0.15000  1.0 3.0
   84    83    89    96   0.23400  1.0 3.0
   84    83    89    97   0.15000  1.0 3.0
   84    83    91    92   0.19450  1.0 3.0
   89    83    91    92  -0.11600  1.0 1.0
   89    83    91    92  -0.09450 -1.0 2.0
   89    83    91    92   0.21250  1.0 3.0
   90    89    96    71   0.37050  1.0 3.0
   90    89    97    98   0.15000  1.0 3.0
   90    89    97    99   0.15000  1.0 3.0
   90    89    97   100   0.15000  1.0 3.0
   96    71    77    78   0.23400  1.0 3.0
   96    71    77    79   0.23400  1.0 3.0
   96    71   -77    80   0.62750  1.0 1.0
   96    71   -77    80  -0.30950 -1.0 2.0
   96    71   -77    80   0.27300  1.0 3.0
   96    89    97    98   0.23400  1.0 3.0
   96    89    97    99   0.23400  1.0 3.0
   96    89    97   100   0.23400  1.0 3.0
   97    89    96    71   0.06250  1.0 1.0
   97    89    96    71  -0.01100 -1.0 2.0
   97    89    96    71   0.28050  1.0 3.0
   91    83    89    90   0.23400  1.0 3.0
   91    83    89    96   3.69350  1.0 1.0
   91    83    89    96  -1.82950 -1.0 2.0
   91    83    89    97   0.86500  1.0 1.0
   91    83    89    97  -0.17500 -1.0 2.0
   91    83    89    97   0.20800  1.0 3.0
   85    80    83    84   0.23400  1.0 3.0
   85    80    83    89   0.86500  1.0 1.0
   85    80    83    89  -0.17500 -1.0 2.0
   85    80    83    89   0.20800  1.0 3.0
   85    80    83    91   3.75450  1.0 1.0
   82    73    39    33   0.09700  1.0 1.0
   82    73    39    33   0.15600 -1.0 2.0
   82    73    39    33  -0.50800  1.0 3.0
   82    73    39    44   0.39000  1.0 1.0
   82    73    39    44  -0.05800 -1.0 2.0
   82    73    39    44  -0.55150  1.0 3.0
   82    87    93    94   0.23400  1.0 3.0
   82    87    93    95   0.23400  1.0 3.0
   82    87    93   101   0.62750  1.0 1.0
   82    87    93   101  -0.30950 -1.0 2.0
   82    87    93   101   0.27300  1.0 3.0
   82    87   110   106  -0.81800  1.0 1.0
   87    93   101   102   0.15000  1.0 3.0
   87    93   101   103   0.15000  1.0 3.0
   87    93   101   104   3.97050  1.0 1.0
   88    87    93    94   0.15000  1.0 3.0
   88    87    93    95   0.15000  1.0 3.0
   88    87    93   101   0.15000  1.0 3.0
   88    87   110   106   0.37050  1.0 3.0
   93    87   110   106   0.06250  1.0 1.0
   93    87   110   106  -0.01100 -1.0 2.0
   93    87   110   106   0.28050  1.0 3.0
   93   101   104   105   0.15000  1.0 3.0
   93   101  -104   106   0.56750  1.0 1.0
   93   101  -104   106  -0.07550 -1.0 2.0
   93   101  -104   106   0.20000  1.0 3.0
   93   101   104   108   0.86500  1.0 1.0
   93   101   104   108  -0.17500 -1.0 2.0
   93   101   104   108   0.20800  1.0 3.0
   94    93   101   102   0.15000  1.0 3.0
   94    93   101   103   0.15000  1.0 3.0
   94    93   101   104   0.15000  1.0 3.0
   95    93   101   102   0.15000  1.0 3.0
   95    93   101   103   0.15000  1.0 3.0
   95    93   101   104   0.15000  1.0 3.0
  101   104   106   107   0.15000  1.0 3.0
  101   104   106   110   0.62750  1.0 1.0
  101   104   106   110  -0.30950 -1.0 2.0
  101   104   106   110   0.27300  1.0 3.0
  101   104   106   111   0.56750  1.0 1.0
  101   104   106   111  -0.07550 -1.0 2.0
  101   104   106   111   0.20000  1.0 3.0
  101   104   108   109  -0.11600  1.0 1.0
  101   104   108   109  -0.09450 -1.0 2.0
  101   104   108   109   0.21250  1.0 3.0
  102   101   104   105   0.15000  1.0 3.0
  102   101   104   106   0.15000  1.0 3.0
  102   101   104   108   0.23400  1.0 3.0
  103   101   104   105   0.15000  1.0 3.0
  103   101   104   106   0.15000  1.0 3.0
  103   101   104   108   0.23400  1.0 3.0
  104   106  -110    87   0.06250  1.0 1.0
  104   106  -110    87  -0.01100 -1.0 2.0
  104   106  -110    87   0.28050  1.0 3.0
  104   106   111   112   0.15000  1.0 3.0
  104   106   111   113   0.15000  1.0 3.0
  104   106   111   114   0.15000  1.0 3.0
  105   104   106   107   0.15000  1.0 3.0
  105   104   106   110   0.23400  1.0 3.0
  105   104   106   111   0.15000  1.0 3.0
  105   104   108   109   0.19450  1.0 3.0
  106   104   108   109  -0.11600  1.0 1.0
  106   104   108   109  -0.09450 -1.0 2.0
  106   104   108   109   0.21250  1.0 3.0
  107   106   110    87   0.37050  1.0 3.0
  107   106   111   112   0.15000  1.0 3.0
  107   106   111   113   0.15000  1.0 3.0
  107   106   111   114   0.15000  1.0 3.0
  110    87    93    94   0.23400  1.0 3.0
  110    87    93    95   0.23400  1.0 3.0
  110    87   -93   101   0.62750  1.0 1.0
  110    87   -93   101  -0.30950 -1.0 2.0
  110    87   -93   101   0.27300  1.0 3.0
  110   106   111   112   0.23400  1.0 3.0
  110   106   111   113   0.23400  1.0 3.0
  110   106   111   114   0.23400  1.0 3.0
  111   106   110    87   0.06250  1.0 1.0
  111   106   110    87  -0.01100 -1.0 2.0
  111   106   110    87   0.28050  1.0 3.0
  108   104   106   107   0.23400  1.0 3.0
  108   104   106   110   3.69350  1.0 1.0
  108   104   106   110  -1.82950 -1.0 2.0
  108   104   106   111   0.86500  1.0 1.0
  108   104   106   111  -0.17500 -1.0 2.0
  108   104   106   111   0.20800  1.0 3.0
   62    55    58    59   0.15000  1.0 3.0
   62    55    58    60   0.15000  1.0 3.0
   62    55    58    68  -0.95700  1.0 1.0
   62    55    58    68  -0.18200 -1.0 2.0
   62    55    58    68   0.29450  1.0 3.0
   62    55    66    67  -0.11600  1.0 1.0
   62    55    66    67  -0.09450 -1.0 2.0
   62    55    66    67   0.21250  1.0 3.0
   66    55    58    59   0.23400  1.0 3.0
   66    55    58    60   0.23400  1.0 3.0
   66    55    58    68  -0.09450  1.0 1.0
   66    55    58    68  -1.12950 -1.0 2.0
   66    55    58    68   0.54000  1.0 3.0
   66    55    62    63   0.23400  1.0 3.0
   66    55    62    64   0.23400  1.0 3.0
   66    55    62    65   0.23400  1.0 3.0
   53    46    48    49   0.23400  1.0 3.0
   53    46    48    50   0.23400  1.0 3.0
   53    46    48    55   0.86500  1.0 1.0
   53    46    48    55  -0.17500 -1.0 2.0
   53    46    48    55   0.20800  1.0 3.0
   53    46    73    68  -0.09450  1.0 1.0
   53    46    73    68  -1.12950 -1.0 2.0
   53    46    73    68   0.54000  1.0 3.0
   53    46    73    39   1.05650  1.0 1.0
   53    46    73    39   0.15600 -1.0 2.0
   53    46    73    39   0.53150  1.0 3.0
   53    46    73    82   3.69350  1.0 1.0
   53    46    73    82  -1.82950 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   58    73    68    69  10.50000 -1.0 2.0
   33    73    39    44   1.10000 -1.0 2.0
   47    45    44    39   1.10000 -1.0 2.0
   51    74    47    44   4.00000 -1.0 2.0
   56    52    51    47   1.10000 -1.0 2.0
   61    57    56    51   1.10000 -1.0 2.0
   70    71    61    56   4.00000 -1.0 2.0
   74    75    70    61   4.00000 -1.0 2.0
   70    40    74    47   4.00000 -1.0 2.0
   33    74    40    41  10.50000 -1.0 2.0
END
