* LIGAND DATABASE FILE (OPLS2005)
*
001     106   110    209    338     629
    1     0 S   NP   _N1_     1    29.19786    90.40985   -21.96641
    2     1 S   H    _HN1     2     1.02779   101.43181   -82.21410
    3     1 S   H    _H1_     3     1.02957   108.63220    31.74789
    4     1 S   H    _H2_     4     1.02832     6.61272   109.33462
    5     1 S   CT   _CA1     5     1.50101   115.36988   156.29836
    6     5 S   HC   _HA1     6     1.09594   105.20004    53.97630
    7     5 S   CO3  _C1_     7     1.53714   112.36459   -65.98115
    8     7 S   O2Z  _O11     8     1.26337   115.07483   -47.18698
    9     7 S   O2Z  _O12     9     1.26256   114.81846   131.92513
   10     5 S   CT   _CB1    10     1.53070   107.40340   171.53554
   11    10 S   HC   HB11    11     1.09805   108.98850   -53.68721
   12    10 S   HC   HB12    12     1.09823   110.56574    62.71976
   13    10 S   CT   _CG1    13     1.52991   112.70826  -175.09232
   14    13 S   HC   HG11    14     1.09582   110.09367   -65.44419
   15    13 S   HC   HG12    15     1.09639   110.25385    53.54651
   16    13 S   C    _CD1    16     1.51835   112.19915   173.27894
   17    16 S   O    _OE1    17     1.22758   123.07010   -17.98139
   18    16 S   N    _N2_    18     1.38551   111.82241   163.74066
   19    18 S   H    _HN2    19     1.01563   119.00970    -1.29739
   20    18 S   CT1  _CA2    20     1.46143   123.45962   179.91153
   21    20 S   HC   _HA2    21     1.09736   109.32506   -15.75291
   22    20 S   C    _C2_    22     1.53465   107.95727  -131.24698
   23    22 S   O    _O2_    23     1.23003   122.38725  -145.08441
   24    20 S   CT   _CB2    32     1.53405   111.67905   106.53630
   25    24 S   HC   HB21    33     1.09500   109.96097    53.56088
   26    24 S   HC   HB22    34     1.09522   110.16873   172.54612
   27    22 S   N    _N3_    24     1.38566   113.28515    42.24879
   28    27 S   H    _HN3    25     1.01533   118.86202    -0.61006
   29    24 S   S    _SG2    35     1.82715   112.06858   -67.92167
   30    27 S   CT   _CA3    26     1.45442   123.45563   175.19931
   31    30 S   HC   HA31    27     1.09524   109.21975    24.62251
   32    30 S   HC   HA32    28     1.09495   107.12210   141.61376
   33    29 S   CT   _C18    36     1.84265    99.65489   175.84720
   34    33 S   HC   _H7_    37     1.10118   104.53366    16.82996
   35    30 S   CO3  _C3_    29     1.52926   113.14427   -98.85226
   36    35 S   O2Z  _O31    30     1.26401   115.42240   -44.39403
   37    35 S   O2Z  _O32    31     1.26359   114.97650   136.56182
   38    33 S   CO4  _C17    38     1.53508   102.42962   125.24459
   39    38 S   O    _O38    39     1.22967   122.31724   -79.40401
   40    38 S   OS   _O37    40     1.35510   115.80118    91.96963
   41    40 S   CT   _C16    41     1.44584   119.22621    50.61024
   42    41 S   HC   _H6_    42     1.09971   105.32798    63.32481
   43    41 S   C5BC _C24    43     1.50950   109.06883   175.58776
   44    41 S   CT   _C15    51     1.58095   111.82615   -55.71081
   45    43 S   C5BC _C25    44     1.42656   127.79211    33.19941
   46    45 S   HA   _H22    45     1.08097   127.28366     1.12535
   47    44 S   CT   _C14    52     1.57836   109.04463   171.75714
   48    47 S   HC   _H15    53     1.09813   109.36592    92.90669
   49    47 S   HC   _H16    54     1.09753   110.48667   -22.52678
   50    44 S   CT   _C28   103     1.55377   107.22890   -70.36798
   51    50 S   HC   _H25   104     1.09281   112.07664    52.98716
   52    50 S   HC   _H26   105     1.09582   111.30755   -66.45911
   53    50 S   HC   _H27   106     1.08712   113.78961   175.30139
   54    45 S   C5A  _C26    46     1.37424   106.69565  -179.09583
   55    54 S   HA   _H23    47     1.08016   133.82090  -179.71333
   56    47 S   CT   _C13    55     1.54460   116.54064  -143.86989
   57    56 S   HC   _H13    56     1.09523   111.30215    87.86674
   58    56 S   HC   _H14    57     1.09100   105.77713  -158.95434
   59    54 S   OA   _O41    48     1.35644   110.46688     0.59774
   60    56 S   CT   _C12    58     1.53260   111.20860   -35.81356
   61    60 S   HC   _H5_    59     1.09827   101.86795   -45.83096
   62    43 S   C5A  _C27    49     1.38202   127.27741  -144.59132
   63    62 S   HA   _H24    50     1.08063   133.42497    -0.89351
   64    60 S   CT   _C20    60     1.61154   111.54340    65.85548
   65    64 S   CO4  _C21    61     1.54606    97.25730  -158.14004
   66    65 S   O    _O39    62     1.22750   124.71590   109.64389
   67    33 S   CT   _C19    97     1.58742   122.53272  -106.52963
   68    67 S   OM   _O40    98     1.34646   100.35523   167.80802
   69    64 S   CT   _C23    99     1.56451   116.52446    90.34600
   70    69 S   HC   _H19   100     1.09504   112.04032   -49.92705
   71    69 S   HC   _H20   101     1.09657   110.53249  -170.20507
   72    69 S   HC   _H21   102     1.08597   115.95240    72.64551
   73    65 S   CT   _C22    63     1.52626   117.01557   -62.60489
   74    73 S   HC   _H17    64     1.09634   104.44493  -177.14638
   75    73 S   HC   _H18    65     1.08956   112.29811   -63.99133
   76    73 S   CT   _C10    66     1.54715   111.71049    63.58443
   77    76 S   HC   _H4_    67     1.10249   104.15533    60.29888
   78    60 S   CT   _C11    68     1.61594   117.16470  -154.67073
   79    76 S   CT   _C9_    77     1.57393   112.08011   171.96891
   80    78 S   CT   _C6_    69     1.57705   109.28375    45.00577
   81    80 S   HC   _H3_    70     1.09717   107.05318   -66.08336
   82    79 S   CT   _C30    78     1.55166   110.56440   -42.67398
   83    82 S   HC   _H31    79     1.09765   110.91112  -167.84870
   84    82 S   HC   _H32    80     1.09459   112.67808    71.82837
   85    82 S   HC   _H33    81     1.09560   110.62587   -50.75844
   86    79 S   CT   _C31    82     1.53098   117.10435    78.16950
   87    86 S   HC   _H34    83     1.09730   110.50339  -173.16806
   88    86 S   HC   _H35    84     1.08727   113.57965    69.80007
   89    86 S   HC   _H36    85     1.09448   111.54014   -53.34803
   90    78 S   CT   _C29    93     1.54353   109.61483   -72.42385
   91    90 S   HC   _H28    94     1.09462   111.24770    30.80034
   92    90 S   HC   _H29    95     1.08978   112.81559   -91.46258
   93    90 S   HC   _H30    96     1.09114   113.50130   148.33522
   94    80 S   CT   _C7_    71     1.52769   117.09039   176.27196
   95    94 S   HC   _H11    72     1.10009   107.00984   162.89697
   96    94 S   HC   _H12    73     1.08865   114.87035    48.34009
   97    80 S   OS   _O34    86     1.44962   109.37607    51.93042
   98    94 S   CO4  _C8_    74     1.49389   114.94711   -81.14626
   99    98 S   O    _O35    75     1.23002   120.95012  -116.11659
  100    97 S   CO4  _C5_    87     1.36201   118.32368  -148.35119
  101   100 S   O    _O33    88     1.22290   126.47580    -0.85386
  102    98 S   OS   _O36    76     1.33932   118.32549    65.18493
  103   100 S   CT   _C4_    89     1.49808   109.34736   178.81370
  104   103 S   HC   _H8_    90     1.09309   109.76605   -61.33661
  105   103 S   HC   _H9_    91     1.09372   109.37627   179.59218
  106   103 S   HC   _H10    92     1.09292   109.82470    60.53521
  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
  14   7   2   1   1   9   3   9  20   7  11  18   6   4  15   7
   6   7   3   2   1   4   2  12   5   4   2  23   8   1   1  15
  14   6   7   1   5   2   1   1  11   5   4  21   7  16  14  15
   7   9   4   3   2   5   3   2   1   5   2   1   1   7   5   4
   7   2   1   5   4   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    67    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    64    67    68  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    60    64    65    67    68    69    50  
   38    39    40    44    64    67    68  
   36    37  
   37  
    0  
   39    40    41    42    43    44    64    67    68  
   40    41    67  
   41    42    43    45    62    44    47    67    50  
   42    43    45    46    54    59    62    63    44    47    48    49    56    64    67    68    50    51    52    53  
   43    45    62    44    47    67    50  
   45    46    54    55    59    62    63    44    47    67    50  
   47    48    49    56    57    58    60    64    65    67    68    69    50    51    52    53    45    62  
   46    54    55    59    62    63  
   54    55    59    62  
   48    49    56    57    58    60    61    64    78    67    68    50    51    52    53  
   49    56    57    58    60    67    50  
   56    57    58    60    67    50  
   51    52    53    56    64    67    68  
   52    53    67  
   53    67  
   67  
   55    59    62    63  
   59    62  
   57    58    60    61    64    65    76    78    80    90    67    69  
   58    60    61    64    78  
   60    61    64    78  
   62    63  
   61    64    65    66    73    76    77    78    80    81    94    79    97    90    91    92    93    67    68    69    70    71    72  
   64    65    76    78    80    90    67    69  
   63  
    0  
   65    66    73    74    75    76    78    80    90    67    68    69    70    71    72  
   66    73    74    75    76    77    78    79    67    68    69    70    71    72  
   73    74    75    76    67    69  
   68    69    70    71    72    73    78  
   69  
   70    71    72    73    78  
   71    72  
   72  
    0  
   74    75    76    77    78    80   102    79    82    86    90  
   75    76    77    78    79  
   76    77    78    79  
   77    78    80    81    94    98   102    79    82    83    84    85    86    87    88    89    97    90    91    92    93  
   78    80   102    79    82    86    90  
   80    81    94    95    96    98   102    79    82    86    97   100    90    91    92    93  
   82    83    84    85    86    87    88    89    90    80    94    98    99   102  
   81    94    95    96    98    99   102    97   100   101   103    90    91    92    93  
   94    95    96    98    97   100    90  
   83    84    85    86    87    88    89    98   102  
   84    85    86   102  
   85    86   102  
   86   102  
   87    88    89    98   102  
   88    89   102  
   89   102  
  102  
   91    92    93    94    97  
   92    93  
   93  
    0  
   95    96    98    99   102    97   100  
   96    98    99   102    97  
   98    99   102    97  
  100   101   103   104   105   106    98  
   99   102  
  102  
  101   103   104   105   106  
  103   104   105   106  
    0  
  104   105   106  
  105   106  
  106  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  100   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  102   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.4200   0.0150   0.060000   1.3810   1.2100   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    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  1.522
   33    67   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   41    42   340.000  1.090
   41    43   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    62   546.000  1.367
   45    46   367.000  1.080
   45    54   546.000  1.367
   54    55   367.000  1.080
   54    59   340.000  1.360
   59    62   340.000  1.360
   62    63   367.000  1.080
   44    47   268.000  1.529
   44    67   268.000  1.529
   44    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    78   268.000  1.529
   64    65   317.000  1.522
   64    67   268.000  1.529
   64    69   268.000  1.529
   65    66   570.000  1.229
   65    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   268.000  1.529
   76    79   268.000  1.529
   78    80   268.000  1.529
   78    90   268.000  1.529
   80    81   340.000  1.090
   80    94   268.000  1.529
   80    97   320.000  1.410
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    98   317.000  1.522
   98    99   570.000  1.229
   98   102   214.000  1.327
  102    79   320.000  1.410
   79    82   268.000  1.529
   79    86   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   97   100   214.000  1.327
  100   101   570.000  1.229
  100   103   317.000  1.522
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   67    68   570.000  1.307
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  110.18000
   29    33    67    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    67    44    58.35000  112.70000
   33    67    64    58.35000  112.70000
   33    67    68    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    85.00000  111.85700
   40    41    44    50.00000  109.50000
   41    43    45    60.00000  130.00000
   41    43    62    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    67    58.35000  112.70000
   41    44    50    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    54    70.00000  107.30000
   43    62    59    70.00000  110.60000
   43    62    63    35.00000  132.10000
   45    54    55    35.00000  132.10000
   45    54    59    70.00000  110.60000
   54    45    46    35.00000  125.70000
   54    59    62    70.00000  106.50000
   59    54    55    35.00000  113.40000
   59    62    63    35.00000  113.40000
   62    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    56    58.35000  112.70000
   44    67    64    58.35000  112.70000
   44    67    68    50.00000  109.50000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    60    58.35000  112.70000
   49    47    48    33.00000  107.80000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    64    58.35000  112.70000
   56    60    78    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    64    65    63.00000  111.10000
   60    64    67    58.35000  112.70000
   60    64    69    58.35000  112.70000
   60    78    76    58.35000  112.70000
   60    78    80    58.35000  112.70000
   60    78    90    58.35000  112.70000
   64    60    61    37.50000  110.70000
   64    65    66    80.00000  120.40000
   64    65    73    70.00000  116.00000
   64    67    68    50.00000  109.50000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    37.50000  110.70000
   65    73    74    35.00000  109.50000
   65    73    75    35.00000  109.50000
   65    73    76    63.00000  111.10000
   73    65    66    80.00000  120.40000
   73    76    77    37.50000  110.70000
   73    76    78    58.35000  112.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    78    80    58.35000  112.70000
   76    78    90    58.35000  112.70000
   76    79   102    50.00000  109.50000
   76    79    82    58.35000  112.70000
   76    79    86    58.35000  112.70000
   78    60    61    37.50000  110.70000
   78    60    64    58.35000  112.70000
   78    76    77    37.50000  110.70000
   78    80    81    37.50000  110.70000
   78    80    94    58.35000  112.70000
   78    80    97    50.00000  109.50000
   78    90    91    37.50000  110.70000
   78    90    92    37.50000  110.70000
   78    90    93    37.50000  110.70000
   80    94    95    37.50000  110.70000
   80    94    96    37.50000  110.70000
   80    94    98    63.00000  111.10000
   80    97   100    83.00000  116.90000
   94    80    81    37.50000  110.70000
   94    98    99    80.00000  120.40000
   94    98   102    81.00000  111.40000
   96    94    95    33.00000  107.80000
   98    94    95    35.00000  109.50000
   98    94    96    35.00000  109.50000
   98   102    79    83.00000  116.90000
  102    98    99    83.00000  123.40000
  102    79    82    50.00000  109.50000
  102    79    86    50.00000  109.50000
   79    76    77    37.50000  110.70000
   79    76    78    58.35000  112.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    37.50000  110.70000
   79    86    87    37.50000  110.70000
   79    86    88    37.50000  110.70000
   79    86    89    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    79    82    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   97    80    81    35.00000  109.50000
   97    80    94    50.00000  109.50000
   97   100   101    83.00000  123.40000
   97   100   103    81.00000  111.40000
  100   103   104    35.00000  109.50000
  100   103   105    35.00000  109.50000
  100   103   106    35.00000  109.50000
  103   100   101    80.00000  120.40000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   90    78    80    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   67    33    34    37.50000  110.70000
   67    33    38    63.00000  111.10000
   67    44    47    58.35000  112.70000
   67    64    65    63.00000  111.10000
   69    64    65    63.00000  111.10000
   69    64    67    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   50    44    47    58.35000  112.70000
   50    44    67    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
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   98   102    79    86  -0.47000 -1.0 2.0
   98   102    79    86   0.11750  1.0 3.0
   99    98   102    79   3.00000 -1.0 2.0
  102    79    82    83   0.23400  1.0 3.0
  102    79    82    84   0.23400  1.0 3.0
  102    79    82    85   0.23400  1.0 3.0
  102    79    86    87   0.23400  1.0 3.0
  102    79    86    88   0.23400  1.0 3.0
  102    79    86    89   0.23400  1.0 3.0
   79    76    78    60   0.56750  1.0 1.0
   79    76    78    60  -0.07550 -1.0 2.0
   79    76    78    60   0.20000  1.0 3.0
   79    76    78    80   0.56750  1.0 1.0
   79    76    78    80  -0.07550 -1.0 2.0
   79    76    78    80   0.20000  1.0 3.0
   79    76    78    90   0.56750  1.0 1.0
   79    76    78    90  -0.07550 -1.0 2.0
   79    76    78    90   0.20000  1.0 3.0
   82    79    86    87   0.15000  1.0 3.0
   82    79    86    88   0.15000  1.0 3.0
   82    79    86    89   0.15000  1.0 3.0
   86    79    82    83   0.15000  1.0 3.0
   86    79    82    84   0.15000  1.0 3.0
   86    79    82    85   0.15000  1.0 3.0
   97    80    94    95   0.23400  1.0 3.0
   97    80    94    96   0.23400  1.0 3.0
   97    80    94    98  -0.09450  1.0 1.0
   97    80    94    98  -1.12950 -1.0 2.0
   97    80    94    98   0.54000  1.0 3.0
   97   100   103   104   0.00000  1.0 1.0
   97   100   103   105   0.00000  1.0 1.0
   97   100   103   106   0.00000  1.0 1.0
  101   100   103   104   0.00000  1.0 1.0
  101   100   103   105   0.00000  1.0 1.0
  101   100   103   106   0.00000  1.0 1.0
   90    78    80    81   0.15000  1.0 3.0
   90    78    80    94   0.56750  1.0 1.0
   90    78    80    94  -0.07550 -1.0 2.0
   90    78    80    94   0.20000  1.0 3.0
   90    78    80    97   0.62750  1.0 1.0
   90    78    80    97  -0.30950 -1.0 2.0
   90    78    80    97   0.27300  1.0 3.0
   67    33    38    39   0.30150 -1.0 2.0
   67    33   -38    40   0.36750  1.0 3.0
   67    44    47    48   0.15000  1.0 3.0
   67    44    47    49   0.15000  1.0 3.0
   67    44   -47    56   0.56750  1.0 1.0
   67    44   -47    56  -0.07550 -1.0 2.0
   67    44   -47    56   0.20000  1.0 3.0
   67    44    50    51   0.15000  1.0 3.0
   67    44    50    52   0.15000  1.0 3.0
   67    44    50    53   0.15000  1.0 3.0
   67    64    65    66   0.30150 -1.0 2.0
   67    64    65    73   0.60050  1.0 1.0
   67    64    65    73   0.05600 -1.0 2.0
   67    64    65    73   0.26150  1.0 3.0
   67    64    69    70   0.15000  1.0 3.0
   67    64    69    71   0.15000  1.0 3.0
   67    64    69    72   0.15000  1.0 3.0
   69    64    65    66   0.30150 -1.0 2.0
   69    64    65    73   0.60050  1.0 1.0
   69    64    65    73   0.05600 -1.0 2.0
   69    64    65    73   0.26150  1.0 3.0
   69    64    67    33   0.56750  1.0 1.0
   69    64    67    33  -0.07550 -1.0 2.0
   69    64    67    33   0.20000  1.0 3.0
   69    64    67    44   0.56750  1.0 1.0
   69    64    67    44  -0.07550 -1.0 2.0
   69    64    67    44   0.20000  1.0 3.0
   69    64    67    68   0.62750  1.0 1.0
   69    64    67    68  -0.30950 -1.0 2.0
   69    64    67    68   0.27300  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    56   0.56750  1.0 1.0
   50    44    47    56  -0.07550 -1.0 2.0
   50    44    47    56   0.20000  1.0 3.0
   50    44    67    33   0.56750  1.0 1.0
   50    44    67    33  -0.07550 -1.0 2.0
   50    44    67    33   0.20000  1.0 3.0
   50    44    67    64   0.56750  1.0 1.0
   50    44    67    64  -0.07550 -1.0 2.0
   50    44    67    64   0.20000  1.0 3.0
   50    44    67    68   0.62750  1.0 1.0
   50    44    67    68  -0.30950 -1.0 2.0
   50    44    67    68   0.27300  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
   33    40    38    39  10.50000 -1.0 2.0
   45    62    43    41   4.00000 -1.0 2.0
   54    46    45    43   1.10000 -1.0 2.0
   59    55    54    45   1.10000 -1.0 2.0
   59    63    62    43   1.10000 -1.0 2.0
   64    73    65    66  10.50000 -1.0 2.0
   94   102    98    99  10.50000 -1.0 2.0
   97   103   100   101  10.50000 -1.0 2.0
END
