* LIGAND DATABASE FILE (OPLS2005)
*
001     114   114    211    316     628
    1     0 S   NP   _N1_     1    28.95761    90.81832   -14.90828
    2     1 S   H    _HN1     2     1.02836    33.24504   131.24926
    3     1 S   H    _H1_     3     1.02787    75.40736   -61.60864
    4     1 S   H    _H2_     4     1.02950   111.56887    42.63701
    5     1 S   CT   _CA1     5     1.50106   131.73800  -168.43810
    6     5 S   HC   _HA1     6     1.09586   105.20907    28.81985
    7     5 S   CO3  _C1_     7     1.53723   112.17801   -91.30303
    8     7 S   O2Z  _O11     8     1.26354   115.04253   -50.18187
    9     7 S   O2Z  _O12     9     1.26219   114.83064   128.78799
   10     5 S   CT   _CB1    10     1.53054   107.39619   146.53858
   11    10 S   HC   HB11    11     1.09837   109.21797   -51.35117
   12    10 S   HC   HB12    12     1.09814   110.54130    65.15361
   13    10 S   CT   _CG1    13     1.53027   112.67815  -172.39016
   14    13 S   HC   HG11    14     1.09595   110.59400   -65.87817
   15    13 S   HC   HG12    15     1.09667   109.88608    53.38210
   16    13 S   C    _CD1    16     1.51843   112.06517   173.65418
   17    16 S   O    _OE1    17     1.22750   123.23813     4.10532
   18    16 S   N    _N2_    18     1.38647   111.78903  -175.82210
   19    18 S   H    _HN2    19     1.01585   118.98280     1.10252
   20    18 S   CT1  _CA2    20     1.46255   123.22342   177.40603
   21    20 S   HC   _HA2    21     1.09739   109.38252    -3.02498
   22    20 S   C    _C2_    22     1.53463   108.41716  -118.44434
   23    22 S   O    _O2_    23     1.23041   122.31914  -147.67062
   24    20 S   CT   _CB2    32     1.53358   111.73462   119.05211
   25    24 S   HC   HB21    33     1.09439   109.68991    56.97730
   26    24 S   HC   HB22    34     1.09514   110.17319   175.85920
   27    22 S   N    _N3_    24     1.38341   113.56896    39.73969
   28    27 S   H    _HN3    25     1.01617   119.53791    -3.42434
   29    24 S   S    _SG2    35     1.82754   111.36514   -64.47380
   30    27 S   CT   _CA3    26     1.45292   123.19590   177.06882
   31    30 S   HC   HA31    27     1.09549   107.51948   -64.29291
   32    30 S   HC   HA32    28     1.09558   107.96872    52.13822
   33    29 S   CT   _C8_    36     1.85354   100.19216  -178.28445
   34    33 S   HC   _H5_    37     1.09631   107.03216    38.41013
   35    30 S   CO3  _C3_    29     1.52954   114.08589   174.13525
   36    35 S   O2Z  _O31    30     1.26373   116.05151    -0.46309
   37    35 S   O2Z  _O32    31     1.26427   114.41728   179.59797
   38    33 S   CT   _C5_    38     1.56733   110.11642   154.32837
   39    38 S   HC   _H3_    39     1.09924   108.52924    61.53371
   40    33 S   CT   _C9_    52     1.55668   108.69974   -77.32885
   41    40 S   HC   _H6_    53     1.09304   108.36049    50.11991
   42    38 S   CT   _C4_    40     1.54075   112.09703   177.90969
   43    42 S   HC   _H11    41     1.09474   111.40027    52.11285
   44    42 S   HC   _H12    42     1.09357   111.33563   -68.77999
   45    42 S   HC   _H13    43     1.09473   111.79123   172.90732
   46    38 S   CT   _C6_    44     1.55911   113.93115   -56.29042
   47    46 S   HC   _H4_    45     1.09391   110.14916    59.13826
   48    40 S   CT   _C10    54     1.53879   114.99817   -71.63859
   49    48 S   HC   _H18    55     1.09653   109.09870   -60.24447
   50    48 S   HC   _H19    56     1.09511   109.80216    55.93368
   51    40 S   OH   _O41   113     1.42808   110.50327   164.57412
   52    51 S   HO   _H46   114     0.97251   107.77781   -56.17815
   53    46 S   CT   _C7_    46     1.52554   114.79245   -64.09967
   54    53 S   HC   _H14    47     1.09462   111.52817   -62.19926
   55    53 S   HC   _H15    48     1.09287   112.07113    60.35285
   56    53 S   HC   _H16    49     1.09598   110.05318  -179.63096
   57    46 S   OH   _O33    50     1.43134   108.70629   174.30763
   58    57 S   HO   _H17    51     0.97248   107.60332  -176.66340
   59    48 S   CT   _C11    57     1.55014   114.77617  -179.63846
   60    59 S   HC   _H7_    58     1.09767   108.47075    64.91108
   61    59 S   CT   _C12    59     1.53979   109.43174  -178.39685
   62    61 S   HC   _H20    60     1.09656   111.50363  -170.30462
   63    61 S   HC   _H21    61     1.09535   110.37625   -51.64253
   64    61 S   OS   _O34    62     1.42817   111.08191    67.61895
   65    64 S   CT   _C13    63     1.43551   112.90346    63.20619
   66    65 S   HC   _H8_    64     1.09730   109.11665    59.73068
   67    65 S   CT   _C14    65     1.53892   109.68952   -60.87621
   68    67 S   HC   _H9_    66     1.09674   109.38138   -65.26275
   69    65 S   CT   _C16    73     1.54036   108.02847   178.19984
   70    69 S   HC   _H24    74     1.09693   110.60993   172.72295
   71    69 S   HC   _H25    75     1.09856   108.84800    56.49840
   72    59 S   CT   _C15    67     1.53868   113.90885   -56.83133
   73    72 S   HC   _H10    68     1.09353   112.48348    54.33862
   74    67 S   OH   _O36    71     1.42507   110.02763   177.06789
   75    74 S   HO   _H23    72     0.97203   107.76542  -173.97787
   76    69 S   CM   _C17    76     1.52115   113.25919   -65.52551
   77    72 S   OH   _O35    69     1.43347   108.67726   170.84698
   78    77 S   HO   _H22    70     0.97261   107.47335   -61.55100
   79    76 S   CM   _C18    77     1.34643   119.27455   101.65068
   80    79 S   HC   _H26    78     1.08804   119.11006    -2.38113
   81    76 S   CT   _C29   109     1.50403   114.96747   -79.71200
   82    81 S   HC   _H43   110     1.09460   110.01687   -77.21088
   83    81 S   HC   _H44   111     1.09180   113.30096   160.91649
   84    81 S   HC   _H45   112     1.09467   110.78678    42.10867
   85    79 S   CO4  _C19    79     1.48163   125.88954   176.29493
   86    85 S   O    _O37    80     1.21932   126.31323   -17.54552
   87    85 S   OS   _O38    81     1.36094   107.17851   162.98128
   88    87 S   CT   _C20    82     1.43561   115.51106   179.96044
   89    88 S   HC   _H27    83     1.09623   109.74968    56.47108
   90    88 S   HC   _H28    84     1.09591   108.90985   -63.08326
   91    88 S   CT   _C21    85     1.52586   109.10175   177.48736
   92    91 S   HC   _H29    86     1.09608   109.05679   174.51995
   93    91 S   HC   _H30    87     1.09680   109.25214    57.02821
   94    91 S   CT   _C22    88     1.53160   112.15741   -63.75824
   95    94 S   HC   _H31    89     1.09655   109.92804    60.08438
   96    94 S   HC   _H32    90     1.09680   109.48981   -57.35536
   97    94 S   CT   _C23    91     1.52986   111.28118  -178.59891
   98    97 S   HC   _H33    92     1.09681   109.56466   -58.71573
   99    97 S   HC   _H34    93     1.09680   109.57524    58.58988
  100    97 S   CT   _C24    94     1.52962   111.30821   179.93744
  101   100 S   HC   _H35    95     1.09682   109.56198   -58.60493
  102   100 S   HC   _H36    96     1.09683   109.56718    58.67601
  103   100 S   CT   _C25    97     1.52960   111.34007  -179.97202
  104   103 S   HC   _H37    98     1.09682   109.56079   -58.69232
  105   103 S   HC   _H38    99     1.09682   109.55992    58.59761
  106   103 S   CT   _C26   100     1.52971   111.32395   179.94766
  107   106 S   HC   _H39   101     1.09703   109.54306    58.49228
  108   106 S   HC   _H40   102     1.09704   109.54210   -58.44569
  109   106 S   CT   _C27   103     1.52540   111.41626  -179.96574
  110   109 S   HC   _H41   104     1.09714   109.44532    58.63614
  111   109 S   HC   _H42   105     1.09714   109.44670   -58.67140
  112   109 S   CO3  _C28   106     1.53217   115.25258   179.97202
  113   112 S   O2Z  _O40   107     1.26529   114.02532  -179.96044
  114   112 S   O2Z  _O39   108     1.26134   116.68008     0.03956
  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
  19   8   2   1   1  17   9  12   6   7   3   2   1   7   6  14
   6   5   2   1   5   3   2   1   1   1  13   8  10   4   3  10
  14   8  11   6  12   4   3   5   3   2   1   9   1   1   9   4
   4   2   1   1   6   2   7   9   5   4   9   5   4   9   5   4
   9   5   4   9   5   4   9   5   4   8   5   4   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    46    40    41    48    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    45    46    47    53    57    40    41    48    49    50    59    51    52  
   38    39    42    46    40    41    48    51  
   36    37  
   37  
    0  
   39    42    43    44    45    46    47    53    54    55    56    57    58    40    41    48    51  
   42    43    44    45    46    47    53    57    40  
   41    48    49    50    59    60    61    72    51    52    42    46  
   48    49    50    59    51    52  
   43    44    45    46    47    53    57  
   44    45    46  
   45    46  
   46  
   47    53    54    55    56    57    58  
   53    54    55    56    57    58  
   49    50    59    60    61    62    63    64    67    72    73    77    51    52  
   50    59    60    61    72    51  
   59    60    61    72    51  
   52    59  
    0  
   54    55    56    57    58  
   55    56    57  
   56    57  
   57  
   58  
    0  
   60    61    62    63    64    65    67    68    72    73    77    78    74  
   61    62    63    64    67    72    73    77  
   62    63    64    65    66    67    72    73    77    69  
   63    64    65    72  
   64    65    72  
   65    66    67    68    72    74    69    70    71    76  
   66    67    68    72    73    77    74    75    69    70    71    76    79    81  
   67    68    72    74    69    70    71    76  
   68    72    73    77    78    74    75    69    70    71    76  
   72    73    77    74    75    69  
   70    71    76    79    80    85    81    82    83    84    72    74  
   71    76    79    81  
   76    79    81  
   73    77    78    74    75  
   77    78    74  
   75    77  
    0  
   79    80    85    86    87    81    82    83    84  
   78  
    0  
   80    85    86    87    88    81    82    83    84  
   85    86    87    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88    89    90    91  
   87    88  
   88    89    90    91    92    93    94  
   89    90    91    92    93    94    95    96    97  
   90    91    92    93    94  
   91    92    93    94  
   92    93    94    95    96    97    98    99   100  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97    98    99   100   101   102   103  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100   101   102   103   104   105   106  
   99   100   101   102   103  
  100   101   102   103  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   106  
  103   104   105   106  
  104   105   106   107   108   109   110   111   112  
  105   106   107   108   109  
  106   107   108   109  
  107   108   109   110   111   112   113   114  
  108   109   110   111   112  
  109   110   111   112  
  110   111   112   113   114  
  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   0.107500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   88   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  112   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  114   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    46   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    57   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   553.000  0.945
   40    41   340.000  1.090
   40    48   268.000  1.529
   40    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    72   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   320.000  1.410
   64    65   320.000  1.410
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    69   268.000  1.529
   67    68   340.000  1.090
   67    72   268.000  1.529
   67    74   320.000  1.410
   72    73   340.000  1.090
   72    77   320.000  1.410
   77    78   553.000  0.945
   74    75   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    76   317.000  1.510
   76    79   549.000  1.340
   76    81   317.000  1.510
   79    80   340.000  1.080
   79    85   320.000  1.462
   85    86   570.000  1.229
   85    87   214.000  1.327
   87    88   320.000  1.410
   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   340.000  1.090
   91    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   317.000  1.522
  112   113   656.000  1.250
  112   114   656.000  1.250
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   51    52   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    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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    58.35000  112.70000
   33    40    51    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   38    46    47    37.50000  110.70000
   38    46    53    58.35000  112.70000
   38    46    57    50.00000  109.50000
   42    38    39    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
   46    38    39    37.50000  110.70000
   46    38    42    58.35000  112.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    37.50000  110.70000
   46    57    58    55.00000  108.50000
   53    46    47    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    46    47    35.00000  109.50000
   57    46    53    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    48    49    37.50000  110.70000
   40    48    50    37.50000  110.70000
   40    48    59    58.35000  112.70000
   40    51    52    55.00000  108.50000
   48    40    41    37.50000  110.70000
   48    59    60    37.50000  110.70000
   48    59    61    58.35000  112.70000
   48    59    72    58.35000  112.70000
   50    48    49    33.00000  107.80000
   59    48    49    37.50000  110.70000
   59    48    50    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    50.00000  109.50000
   59    72    67    58.35000  112.70000
   59    72    73    37.50000  110.70000
   59    72    77    50.00000  109.50000
   61    59    60    37.50000  110.70000
   61    64    65    60.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    65    66    35.00000  109.50000
   64    65    67    50.00000  109.50000
   64    65    69    50.00000  109.50000
   65    67    68    37.50000  110.70000
   65    67    72    58.35000  112.70000
   65    67    74    50.00000  109.50000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    76    70.00000  112.02700
   67    65    66    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    77    50.00000  109.50000
   67    74    75    55.00000  108.50000
   72    59    60    37.50000  110.70000
   72    59    61    58.35000  112.70000
   72    67    68    37.50000  110.70000
   72    77    78    55.00000  108.50000
   77    72    73    35.00000  109.50000
   74    67    68    35.00000  109.50000
   74    67    72    50.00000  109.50000
   69    65    66    37.50000  110.70000
   69    65    67    58.35000  112.70000
   69    76    79    70.00000  124.00000
   69    76    81    65.00000  117.92700
   71    69    70    33.00000  107.80000
   76    69    70    35.00000  109.50000
   76    69    71    35.00000  109.50000
   76    79    80    35.00000  120.00000
   76    79    85    65.00000  118.96000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    85    86    80.00000  123.72100
   79    85    87    90.00000  111.29400
   85    79    80    40.00000  117.72500
   85    87    88    83.00000  116.90000
   87    85    86    83.00000  123.40000
   87    88    89    35.00000  109.50000
   87    88    90    35.00000  109.50000
   87    88    91    50.00000  109.50000
   88    91    92    37.50000  110.70000
   88    91    93    37.50000  110.70000
   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    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    97    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    37.50000  110.70000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100   102    37.50000  110.70000
   97   100   103    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   103   104    37.50000  110.70000
  100   103   105    37.50000  110.70000
  100   103   106    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    37.50000  110.70000
  103   100   102    37.50000  110.70000
  103   106   107    37.50000  110.70000
  103   106   108    37.50000  110.70000
  103   106   109    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  106   109   110    37.50000  110.70000
  106   109   111    37.50000  110.70000
  106   109   112    70.00000  109.69300
  108   106   107    33.00000  107.80000
  109   106   107    37.50000  110.70000
  109   106   108    37.50000  110.70000
  109   112   113    70.00000  117.00000
  109   112   114    70.00000  117.00000
  111   109   110    33.00000  107.80000
  112   109   110    35.00000  109.50000
  112   109   111    35.00000  109.50000
  114   112   113    80.00000  126.00000
   81    76    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   51    40    41    35.00000  109.50000
   51    40    48    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
    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
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  100   103   106   109   0.20000  1.0 3.0
  101   100   103   104   0.15000  1.0 3.0
  101   100   103   105   0.15000  1.0 3.0
  101   100   103   106   0.15000  1.0 3.0
  102   100   103   104   0.15000  1.0 3.0
  102   100   103   105   0.15000  1.0 3.0
  102   100   103   106   0.15000  1.0 3.0
  103   106   109   110   0.15000  1.0 3.0
  103   106   109   111   0.15000  1.0 3.0
  103   106   109   112  -1.63150  1.0 1.0
  103   106   109   112  -0.43550 -1.0 2.0
  103   106   109   112   0.24500  1.0 3.0
  104   103   106   107   0.15000  1.0 3.0
  104   103   106   108   0.15000  1.0 3.0
  104   103   106   109   0.15000  1.0 3.0
  105   103   106   107   0.15000  1.0 3.0
  105   103   106   108   0.15000  1.0 3.0
  105   103   106   109   0.15000  1.0 3.0
  106   109   112   113   0.41150 -1.0 2.0
  106   109   112   114   0.41150 -1.0 2.0
  107   106   109   110   0.15000  1.0 3.0
  107   106   109   111   0.15000  1.0 3.0
  107   106   109   112  -0.11250  1.0 3.0
  108   106   109   110   0.15000  1.0 3.0
  108   106   109   111   0.15000  1.0 3.0
  108   106   109   112  -0.11250  1.0 3.0
  110   109   112   113   0.00000  1.0 1.0
  110   109   112   114   0.00000  1.0 1.0
  111   109   112   113   0.00000  1.0 1.0
  111   109   112   114   0.00000  1.0 1.0
   81    76    79    80   7.00000 -1.0 2.0
   81    76    79    85   7.00000 -1.0 2.0
   51    40    48    49   0.23400  1.0 3.0
   51    40    48    50   0.23400  1.0 3.0
   51    40    48    59   0.86500  1.0 1.0
   51    40    48    59  -0.17500 -1.0 2.0
   51    40    48    59   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
   69    81    76    79  15.00000 -1.0 2.0
   85    80    79    76  15.00000 -1.0 2.0
   79    87    85    86  10.50000 -1.0 2.0
  113   109   112   114  10.50000 -1.0 2.0
END
