* LIGAND DATABASE FILE (OPLS2005)
*
001     113   116    218    343     639
    1     0 S   NP   _N1_     1    31.63720    91.98265   -28.92711
    2     1 S   H    _HN1     2     1.02950   100.83711     3.83609
    3     1 S   H    _H1_     3     1.02837    21.23005  -105.43657
    4     1 S   H    _H2_     4     1.02790   128.51326  -120.41401
    5     1 S   CT   _CA1     5     1.50116    95.05917   115.77150
    6     5 S   HC   _HA1     6     1.09560   105.24462    74.04462
    7     5 S   CO3  _C1_     7     1.53822   112.43122   -46.36637
    8     7 S   O2Z  _O11     8     1.26371   114.97217   -41.89355
    9     7 S   O2Z  _O12     9     1.26227   114.96182   137.27390
   10     5 S   CT   _CB1    10     1.53049   107.44777  -167.79804
   11    10 S   HC   HB11    11     1.09843   109.57512   -48.16675
   12    10 S   HC   HB12    12     1.09842   110.32654    68.42854
   13    10 S   CT   _CG1    13     1.53081   112.63542  -169.12748
   14    13 S   HC   HG11    14     1.09580   110.61690   -62.04525
   15    13 S   HC   HG12    15     1.09629   109.99653    57.40985
   16    13 S   C    _CD1    16     1.51643   111.92444   177.96664
   17    16 S   O    _OE1    17     1.22734   123.06877     2.57511
   18    16 S   N    _N2_    18     1.38639   112.08747  -177.81753
   19    18 S   H    _HN2    19     1.01575   119.09525     4.60993
   20    18 S   CT1  _CA2    20     1.46074   123.18580  -176.99053
   21    20 S   HC   _HA2    21     1.09531   109.10349    10.00589
   22    20 S   C    _C2_    22     1.53454   109.50983  -104.93327
   23    22 S   O    _O2_    23     1.23053   122.05277  -142.10279
   24    20 S   CT   _CB2    32     1.53507   111.91129   131.68425
   25    24 S   HC   HB21    33     1.09680   109.42062    68.34590
   26    24 S   HC   HB22    34     1.09528   110.42839  -175.27035
   27    22 S   N    _N3_    24     1.38438   113.64337    45.53220
   28    27 S   H    _HN3    25     1.01456   119.23393    -0.00000
   29    24 S   S    _SG2    35     1.83401   116.16738   -51.23521
   30    27 S   CT   _CA3    26     1.45429   123.31791   174.28907
   31    30 S   HC   HA31    27     1.09519   109.26415    25.91692
   32    30 S   HC   HA32    28     1.09492   107.18075   142.99894
   33    29 S   CT   _C33    36     1.83756   101.55175   -53.24023
   34    33 S   HC   _H3_    37     1.09203   107.84197    49.50643
   35    30 S   CO3  _C3_    29     1.52893   112.81957   -97.49103
   36    35 S   O2Z  _O31    30     1.26392   115.26387   -47.49875
   37    35 S   O2Z  _O32    31     1.26324   115.06807   133.13735
   38    33 S   CM   _C10    38     1.50966   107.03441   165.54797
   39    38 S   HC   _H42    39     1.08828   117.56593    66.43483
   40    33 S   CT   _C31    52     1.53257   111.38241   -72.06389
   41    40 S   HC   _H73    53     1.09716   111.71928   -77.42975
   42    40 S   HC   _H74    54     1.09609   112.64154    42.45786
   43    38 S   CM   _C9_    40     1.34260   123.24467  -112.73809
   44    43 S   HC   _H41    41     1.08751   119.51174    -0.79525
   45    40 S   CO4  _C12    55     1.51163   110.98546   161.59743
   46    45 S   O    _O35    56     1.22261   124.26546   114.56712
   47    43 S   CT   _C30    42     1.50049   124.05689   178.30453
   48    47 S   HC   _H71    43     1.09672   111.02823    -1.35292
   49    47 S   HC   _H72    44     1.09660   108.09811   115.39736
   50    45 S   OS   _O38    57     1.36126   109.14365   -65.92589
   51    47 S   CT   _C32    45     1.53148   112.63750  -124.54884
   52    51 S   HC   _H75    46     1.09655   108.57483  -175.29289
   53    51 S   HC   _H76    47     1.09674   109.99788   -58.82891
   54    50 S   CT   _C19    58     1.44753   119.20285   178.24721
   55    54 S   HC   _H50    59     1.09804   109.45808   -17.34873
   56    51 S   CT   _C28    48     1.52254   113.40331    63.79079
   57    56 S   HC   _H66    49     1.09446   111.52922   -64.93698
   58    56 S   HC   _H67    50     1.09473   110.05445   175.66528
   59    56 S   HC   _H68    51     1.09459   110.99970    56.11755
   60    54 S   CT   _C18    60     1.55880   107.46945  -132.97979
   61    60 S   HC   _H49    61     1.09600   108.52144   -36.88631
   62    60 S   CT   _C20    62     1.56770   112.89845  -156.38649
   63    60 S   CT   _C25   110     1.54048   106.44252    75.68033
   64    63 S   HC   _H57   111     1.09381   112.02240    78.75243
   65    63 S   HC   _H58   112     1.09426   111.25744   -41.10523
   66    63 S   HC   _H59   113     1.09177   111.56463  -158.30924
   67    62 S   CT   _C14    63     1.56519   117.49241  -176.11920
   68    67 S   HC   _H45    64     1.10178   106.73747   161.57200
   69    62 S   CT   _C15    78     1.57766   106.59344    61.06640
   70    69 S   HC   _H46    79     1.09512   107.43157    55.29063
   71    62 S   OH   _O36   108     1.43410   109.04021   -55.16449
   72    71 S   HO   _H78   109     0.97115   108.53842   -66.95157
   73    67 S   CM   _C4_    65     1.50087   120.77962    45.25600
   74    73 S   HC   _H39    66     1.08284   122.02897    48.88437
   75    69 S   C3T  _C17    80     1.51962   111.08588   -59.88343
   76    75 S   HC   _H48    81     1.08584   111.91603  -106.52986
   77    73 S   CM   _C6_    67     1.33639   115.16462  -135.25370
   78    54 S   C3T  _C21    82     1.51019   108.54863    99.68803
   79    77 S   CO4  _C8_    68     1.47376   105.81737     1.19042
   80    79 S   O    _O33    69     1.22212   123.32678  -175.01100
   81    75 S   C3T  _C22    83     1.52556   121.24728   106.04781
   82    78 S   OS   _O39    92     1.45483   112.35087   -86.96690
   83    77 S   CT   _C23   104     1.47747   130.17901  -177.46302
   84    83 S   HC   _H51   105     1.09437   110.60050   119.74970
   85    83 S   HC   _H52   106     1.09472   111.41907    -0.32686
   86    83 S   HC   _H53   107     1.09430   110.43476  -120.21753
   87    67 S   CT   _C16    70     1.53952   112.34671   -77.94202
   88    87 S   HC   _H47    71     1.09625   111.95596    30.43084
   89    81 S   CT   _C26    84     1.50875   122.94139    -1.95324
   90    89 S   HC   _H60    85     1.09565   109.94250  -157.99012
   91    89 S   HC   _H61    86     1.09497   109.93368    83.44865
   92    89 S   HC   _H62    87     1.08894   114.43732   -37.48988
   93    81 S   CT   _C27    88     1.51653   115.51974   140.32726
   94    93 S   HC   _H63    89     1.09502   110.17675   148.11649
   95    93 S   HC   _H64    90     1.09520   112.57653    27.47918
   96    93 S   HC   _H65    91     1.09528   110.26881   -92.31714
   97    82 S   CO4  _C11    93     1.36207   119.72382   -79.83597
   98    97 S   O    _O34    94     1.22185   126.66081    -0.56752
   99    87 S   CT   _C13    72     1.53325   112.15327   -95.12066
  100    99 S   HC   _H43    73     1.09918   107.87144   -81.40921
  101    99 S   HC   _H44    74     1.09718   109.02232   164.34925
  102    97 S   CT   _C24    95     1.49829   109.32227   179.40258
  103   102 S   HC   _H54    96     1.09294   109.80827   -61.16657
  104   102 S   HC   _H55    97     1.09377   109.37085   179.78150
  105   102 S   HC   _H56    98     1.09293   109.82543    60.73950
  106    99 S   CM   _C7_    75     1.52401   117.14019    40.04947
  107   106 S   CM   _C5_    76     1.35094   125.74935    16.24032
  108   107 S   HC   _H40    77     1.08852   117.84861  -177.30340
  109   106 S   CT   _C29    99     1.50994   114.54887  -160.90648
  110   109 S   HC   _H69   100     1.09509   112.23672   179.06372
  111   109 S   HC   _H70   101     1.09523   110.12847    58.64015
  112   109 S   OH   _O37   102     1.42090   109.50175   -60.93625
  113   112 S   HO   _H79   103     0.97196   107.06616   179.66428
  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   9   5   4   3
  12   7   2   1   1  11   4   7   4   3   8   4   6   2   9   5
   4  10   6   5   4  19   8   3   2   1   1  19   9  24   7   2
   1   1  19   9  17   8   5   1  11   4  16   6   9  14  11   4
  11   8   4   2   1   1   7   4   7   3   2   1   3   2   1   1
   5   4   9   4   3   3   2   1   1   7   5   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    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    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    49    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    50    54    43  
   42    45    46    50  
   45    46    50  
   44    47    48    49    51    52    53    56  
   47    48    49    51  
   46    50    54    55    60    78  
   50    54  
   48    49    51    52    53    56    57    58    59  
   49    51    52    53    56  
   51    52    53    56  
   54    55    60    61    62    75    78    81    82    63  
   52    53    56    57    58    59  
   53    56    57    58    59  
   56    57    58    59  
   55    60    61    62    67    69    75    76    78    81    89    93    82    97    71    63    64    65    66  
   60    61    62    75    78    81    82    63  
   57    58    59  
   58    59  
   59  
    0  
   61    62    67    68    73    87   107    69    70    75    78    81    82    71    72    63    64    65    66  
   62    67    69    78    71    63    64    65    66  
   67    68    73    74    77    79    87    88    99   106   107   108    69    70    75    76    78    81    71    72    63    64    65    66  
   64    65    66    67    69    71    78  
   65    66  
   66  
    0  
   68    73    74    77    79    80    87    88    99   100   101   106   107    69    70    75    83    71    72  
   73    74    77    79    87    88    99    69    71  
   70    75    76    78    81    89    93    82   109    71    72    73    87    99   106   107   108  
   75    76    78    81    71   106   107   108  
   72    73    75    87   107  
    0  
   74    77    79    80    87    88    99    83    84    85    86  
   77    79    87    83  
   76    78    81    89    90    91    92    93    94    95    96    82    97   106   107   108  
   78    81    89    93    82   107  
   79    80    87    88    99    83    84    85    86  
   81    89    90    91    92    93    94    95    96    82    97    98   102   107  
   80    87    88    99   100   101   106    83    84    85    86  
   87    88    99    83  
   89    90    91    92    93    94    95    96    82    97   107  
   97    98   102   103   104   105    89    93  
   84    85    86    87  
   85    86  
   86  
    0  
   88    99   100   101   106   107   109  
   99   100   101   106  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93  
   94    95    96  
   95    96  
   96  
    0  
   98   102   103   104   105  
  102   103   104   105  
  100   101   106   107   108   109   110   111   112  
  101   106   107   109  
  106   107   109  
  103   104   105  
  104   105  
  105  
    0  
  107   108   109   110   111   112   113  
  108   109   110   111   112  
  109  
  110   111   112   113  
  111   112   113  
  112   113  
  113  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660   0.206000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  107   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  108   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  113   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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    50   214.000  1.327
   50    54   320.000  1.410
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    78   275.000  1.510
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    63   268.000  1.529
   62    67   268.000  1.529
   62    69   268.000  1.529
   62    71   320.000  1.410
   67    68   340.000  1.090
   67    73   317.000  1.510
   67    87   268.000  1.529
   73    74   340.000  1.080
   73    77   549.000  1.340
   77    79   320.000  1.462
   77    83   317.000  1.510
   79    80   570.000  1.229
   79    87   317.000  1.522
   87    88   340.000  1.090
   87    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   106   317.000  1.510
  106   107   549.000  1.340
  106   109   317.000  1.510
  107   108   340.000  1.080
  107    69   317.000  1.510
   69    70   340.000  1.090
   69    75   275.000  1.510
   75    76   340.000  1.088
   75    78   260.000  1.509
   75    81   260.000  1.509
   78    81   260.000  1.509
   78    82   320.000  1.410
   81    89   275.000  1.510
   81    93   275.000  1.510
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   82    97   214.000  1.327
   97    98   570.000  1.229
   97   102   317.000  1.522
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   320.000  1.410
  112   113   553.000  0.945
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   71    72   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    70.00000  124.00000
   43    38    39    35.00000  120.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    51    70.00000  112.02700
   47    43    44    35.00000  117.00000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    56    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    37.50000  110.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    50    81.00000  111.40000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    50    54    83.00000  116.90000
   50    45    46    83.00000  123.40000
   50    54    55    35.00000  109.50000
   50    54    60    50.00000  109.50000
   50    54    78    50.00000  109.50000
   54    60    61    37.50000  110.70000
   54    60    62    58.35000  112.70000
   54    60    63    58.35000  112.70000
   54    78    75    60.00000  120.94000
   54    78    81    60.00000  120.94000
   54    78    82    50.00000  109.50000
   60    54    55    37.50000  110.70000
   60    62    67    58.35000  112.70000
   60    62    69    58.35000  112.70000
   60    62    71    50.00000  109.50000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   62    60    61    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    73    70.00000  112.02700
   62    67    87    58.35000  112.70000
   62    69   107    70.00000  112.02700
   62    69    70    37.50000  110.70000
   62    69    75    70.00000  112.37300
   62    71    72    55.00000  108.50000
   67    73    74    35.00000  117.00000
   67    73    77    70.00000  124.00000
   67    87    79    63.00000  111.10000
   67    87    88    37.50000  110.70000
   67    87    99    58.35000  112.70000
   73    67    68    35.00000  109.50000
   73    77    79    65.00000  118.96000
   73    77    83    70.00000  124.00000
   77    73    74    35.00000  120.00000
   77    79    80    80.00000  123.72100
   77    79    87    65.00000  118.62400
   77    83    84    35.00000  109.50000
   77    83    85    35.00000  109.50000
   77    83    86    35.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    99    63.00000  111.10000
   87    67    68    37.50000  110.70000
   87    67    73    70.00000  112.02700
   87    79    80    80.00000  120.40000
   87    99   100    37.50000  110.70000
   87    99   101    37.50000  110.70000
   87    99   106    70.00000  112.02700
   99    87    88    37.50000  110.70000
   99   106   107    70.00000  124.00000
   99   106   109    65.00000  117.92700
  101    99   100    33.00000  107.80000
  106    99   100    35.00000  109.50000
  106    99   101    35.00000  109.50000
  106   107   108    35.00000  120.00000
  106   107    69    70.00000  124.00000
  106   109   110    35.00000  109.50000
  106   109   111    35.00000  109.50000
  106   109   112    90.00000  110.39200
  107    69    70    35.00000  109.50000
  107    69    75    70.00000  112.02700
   69    62    67    58.35000  112.70000
   69   107   108    35.00000  117.00000
   69    75    76    40.00000  115.04500
   69    75    78    60.00000  120.94000
   69    75    81    60.00000  120.94000
   75    69    70    45.00000  109.38400
   75    78    81    10.00000   60.00500
   75    78    82    50.00000  109.50000
   75    81    78    10.00000   60.00500
   75    81    89    60.00000  120.94000
   75    81    93    60.00000  120.94000
   78    54    55    45.00000  109.38400
   78    54    60    70.00000  112.37300
   78    75    76    37.50000  117.20000
   78    81    89    60.00000  120.94000
   78    81    93    60.00000  120.94000
   78    82    97    83.00000  116.90000
   81    75    76    37.50000  117.20000
   81    75    78    10.00000   60.00500
   81    89    90    45.00000  109.38400
   81    89    91    45.00000  109.38400
   81    89    92    45.00000  109.38400
   81    93    94    45.00000  109.38400
   81    93    95    45.00000  109.38400
   81    93    96    45.00000  109.38400
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    81    89    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   82    78    81    50.00000  109.50000
   82    97    98    83.00000  123.40000
   82    97   102    81.00000  111.40000
   97   102   103    35.00000  109.50000
   97   102   104    35.00000  109.50000
   97   102   105    35.00000  109.50000
  102    97    98    80.00000  120.40000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  109   106   107    70.00000  124.00000
  109   112   113    55.00000  108.50000
  111   109   110    33.00000  107.80000
  112   109   110    35.00000  109.50000
  112   109   111    35.00000  109.50000
   83    77    79    65.00000  116.34900
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   71    62    67    50.00000  109.50000
   71    62    69    50.00000  109.50000
   63    60    61    37.50000  110.70000
   63    60    62    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
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
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   69    75   -78    54   0.20000  1.0 3.0
   69    75   -78    81   0.07850  1.0 1.0
   69    75   -78    81  -0.03950 -1.0 2.0
   69    75   -78    81   0.67350  1.0 3.0
   69    75    78    82   0.62750  1.0 1.0
   69    75    78    82  -0.30950 -1.0 2.0
   69    75    78    82   0.27300  1.0 3.0
   69    75   -81    78   0.07850  1.0 1.0
   69    75   -81    78  -0.03950 -1.0 2.0
   69    75   -81    78   0.67350  1.0 3.0
   69    75    81    89   0.56750  1.0 1.0
   69    75    81    89  -0.07550 -1.0 2.0
   69    75    81    89   0.20000  1.0 3.0
   69    75    81    93   0.56750  1.0 1.0
   69    75    81    93  -0.07550 -1.0 2.0
   69    75    81    93   0.20000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   70    69    75    81   0.15000  1.0 3.0
   75    78   -81    89   0.07850  1.0 1.0
   75    78   -81    89  -0.03950 -1.0 2.0
   75    78   -81    89   0.67350  1.0 3.0
   75    78   -81    93   0.07850  1.0 1.0
   75    78   -81    93  -0.03950 -1.0 2.0
   75    78   -81    93   0.67350  1.0 3.0
   75    78    82    97  -0.25900  1.0 1.0
   75    78    82    97  -0.47000 -1.0 2.0
   75    78    82    97   0.11750  1.0 3.0
   75    81    89    90   0.15000  1.0 3.0
   75    81    89    91   0.15000  1.0 3.0
   75    81    89    92   0.15000  1.0 3.0
   75    81    93    94   0.15000  1.0 3.0
   75    81    93    95   0.15000  1.0 3.0
   75    81    93    96   0.15000  1.0 3.0
   76    75    78    54   0.15000  1.0 3.0
   76    75   -78    81   0.15000  1.0 3.0
   76    75    78    82   0.15000  1.0 3.0
   76    75   -81    78   0.15000  1.0 3.0
   76    75    81    89   0.15000  1.0 3.0
   76    75    81    93   0.15000  1.0 3.0
   78    54    60    61   0.15000  1.0 3.0
   78    54   -60    62   0.47050  1.0 1.0
   78    54   -60    62   0.03900 -1.0 2.0
   78    54   -60    62   0.20100  1.0 3.0
   78    54    60    63   0.47050  1.0 1.0
   78    54    60    63   0.03900 -1.0 2.0
   78    54    60    63   0.20100  1.0 3.0
   78    75   -81    89   0.07850  1.0 1.0
   78    75   -81    89  -0.03950 -1.0 2.0
   78    75   -81    89   0.67350  1.0 3.0
   78    75   -81    93   0.07850  1.0 1.0
   78    75   -81    93  -0.03950 -1.0 2.0
   78    75   -81    93   0.67350  1.0 3.0
   78    81    89    90   0.15000  1.0 3.0
   78    81    89    91   0.15000  1.0 3.0
   78    81    89    92   0.15000  1.0 3.0
   78    81    93    94   0.15000  1.0 3.0
   78    81    93    95   0.15000  1.0 3.0
   78    81    93    96   0.15000  1.0 3.0
   78    82    97    98   3.00000 -1.0 2.0
   78    82    97   102   1.63150  1.0 1.0
   78    82    97   102   2.92000 -1.0 2.0
   81    75   -78    54   0.07850  1.0 1.0
   81    75   -78    54  -0.03950 -1.0 2.0
   81    75   -78    54   0.67350  1.0 3.0
   81    75   -78    82  -0.26800  1.0 1.0
   81    75   -78    82   0.69150 -1.0 2.0
   81    75   -78    82  -0.48750  1.0 3.0
   81    78    82    97  -0.25900  1.0 1.0
   81    78    82    97  -0.47000 -1.0 2.0
   81    78    82    97   0.11750  1.0 3.0
   89    81    93    94   0.15000  1.0 3.0
   89    81    93    95   0.15000  1.0 3.0
   89    81    93    96   0.15000  1.0 3.0
   93    81    89    90   0.15000  1.0 3.0
   93    81    89    91   0.15000  1.0 3.0
   93    81    89    92   0.15000  1.0 3.0
   82    78   -81    75  -0.26800  1.0 1.0
   82    78   -81    75   0.69150 -1.0 2.0
   82    78   -81    75  -0.48750  1.0 3.0
   82    78    81    89   0.62750  1.0 1.0
   82    78    81    89  -0.30950 -1.0 2.0
   82    78    81    89   0.27300  1.0 3.0
   82    78    81    93   0.62750  1.0 1.0
   82    78    81    93  -0.30950 -1.0 2.0
   82    78    81    93   0.27300  1.0 3.0
   82    97   102   103   0.00000  1.0 1.0
   82    97   102   104   0.00000  1.0 1.0
   82    97   102   105   0.00000  1.0 1.0
   98    97   102   103   0.00000  1.0 1.0
   98    97   102   104   0.00000  1.0 1.0
   98    97   102   105   0.00000  1.0 1.0
  109   106   107   108   7.00000 -1.0 2.0
  109   106   107    69   7.00000 -1.0 2.0
  110   109   112   113   0.19450  1.0 3.0
  111   109   112   113   0.19450  1.0 3.0
   83    77    79    80  -0.64400  1.0 1.0
   83    77    79    80   0.26850 -1.0 2.0
   83    77    79    87   0.25700  1.0 1.0
   83    77    79    87   0.66200 -1.0 2.0
   83    77    79    87   0.04450  1.0 3.0
   71    62    67    68   0.23400  1.0 3.0
   71    62    67    73   1.05650  1.0 1.0
   71    62    67    73   0.15600 -1.0 2.0
   71    62    67    73   0.53150  1.0 3.0
   71    62    67    87   0.86500  1.0 1.0
   71    62    67    87  -0.17500 -1.0 2.0
   71    62    67    87   0.20800  1.0 3.0
   71    62    69   107   1.05650  1.0 1.0
   71    62    69   107   0.15600 -1.0 2.0
   71    62    69   107   0.53150  1.0 3.0
   71    62    69    70   0.23400  1.0 3.0
   71    62    69    75   0.86500  1.0 1.0
   71    62    69    75  -0.17500 -1.0 2.0
   71    62    69    75   0.20800  1.0 3.0
   63    60    62    67   0.56750  1.0 1.0
   63    60    62    67  -0.07550 -1.0 2.0
   63    60    62    67   0.20000  1.0 3.0
   63    60    62    69   0.56750  1.0 1.0
   63    60    62    69  -0.07550 -1.0 2.0
   63    60    62    69   0.20000  1.0 3.0
   63    60    62    71   0.86500  1.0 1.0
   63    60    62    71  -0.17500 -1.0 2.0
   63    60    62    71   0.20800  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   40    50    45    46  10.50000 -1.0 2.0
   67    74    73    77   1.10000 -1.0 2.0
   79    83    77    73   1.10000 -1.0 2.0
   77    87    79    80  10.50000 -1.0 2.0
   99   109   106   107   1.10000 -1.0 2.0
   69   108   107   106   1.10000 -1.0 2.0
   82   102    97    98  10.50000 -1.0 2.0
END
