* LIGAND DATABASE FILE (OPLS2005)
*
001     114   117    216    342     641
    1     0 S   NP   _N1_     1    28.85049    95.44741   -19.29076
    2     1 S   H    _HN1     2     1.02778    79.07370   -71.60659
    3     1 S   H    _H1_     3     1.02959    94.46278    36.21575
    4     1 S   H    _H2_     4     1.02837    37.58836   148.60322
    5     1 S   CT   _CA1     5     1.50106   146.26003   174.51720
    6     5 S   HC   _HA1     6     1.09573   105.26370    42.65675
    7     5 S   CO3  _C1_     7     1.53800   112.31578   -77.61225
    8     7 S   O2Z  _O11     8     1.26363   114.99945   -45.47433
    9     7 S   O2Z  _O12     9     1.26229   114.90467   133.77371
   10     5 S   CT   _CB1    10     1.53096   107.44041   160.58212
   11    10 S   HC   HB11    11     1.09816   109.37845   -50.54791
   12    10 S   HC   HB12    12     1.09823   110.43137    66.02744
   13    10 S   CT   _CG1    13     1.52979   112.61674  -171.69118
   14    13 S   HC   HG11    14     1.09475   110.39469   -60.69441
   15    13 S   HC   HG12    15     1.09639   110.11487    58.27140
   16    13 S   C    _CD1    16     1.51803   112.18477   178.23420
   17    16 S   O    _OE1    17     1.22737   123.13707   -14.24723
   18    16 S   N    _N2_    18     1.38558   111.75287   167.04044
   19    18 S   H    _HN2    19     1.01606   119.06087    -0.60749
   20    18 S   CT1  _CA2    20     1.46163   123.46484   178.52966
   21    20 S   HC   _HA2    21     1.09743   109.37112   -13.63169
   22    20 S   C    _C2_    22     1.53555   108.11616  -128.99445
   23    22 S   O    _O2_    23     1.23017   122.29058  -146.61522
   24    20 S   CT   _CB2    32     1.53633   111.68624   108.73108
   25    24 S   HC   HB21    33     1.09387   108.95605    51.47795
   26    24 S   HC   HB22    34     1.09184   109.49168   170.14799
   27    22 S   N    _N3_    24     1.38527   113.37178    40.93250
   28    27 S   H    _HN3    25     1.01522   118.91128    -0.76643
   29    24 S   S    _SG2    35     1.83154   111.50967   -69.21911
   30    27 S   CT   _CA3    26     1.45453   123.48611   174.94600
   31    30 S   HC   HA31    27     1.09520   109.27625    23.58778
   32    30 S   HC   HA32    28     1.09495   107.10770   140.60706
   33    29 S   CT   _C10    36     1.90313   103.46131  -172.66305
   34    30 S   CO3  _C3_    29     1.52935   113.10381   -99.91302
   35    34 S   O2Z  _O31    30     1.26406   115.41855   -43.91250
   36    34 S   O2Z  _O32    31     1.26358   114.98182   137.02114
   37    33 S   CM   _C8_    37     1.55760   106.84597   -56.96854
   38    33 S   CT   _C11    58     1.56391   107.54502    68.15746
   39    38 S   HC   _H5_    59     1.09203   114.62930   -40.75153
   40    37 S   CT   _C7_    38     1.54935   115.22218   -86.42471
   41    40 S   HC   _H4_    39     1.09108   102.75181    52.35528
   42    38 S   OH   _O38    60     1.43075   111.38344  -162.59203
   43    42 S   HO   _H25    61     0.97270   107.52347  -178.59166
   44    37 S   CM   _C9_   112     1.34667   120.05374    93.41959
   45    44 S   HC   _H12   113     1.08494   121.93953    -0.70610
   46    44 S   HC   _H13   114     1.07754   124.20951  -177.09950
   47    40 S   CT   _C6_    40     1.56950   109.94713   -58.71167
   48    47 S   HC   _H3_    41     1.09210   111.31326  -103.22789
   49    40 S   CT   _C23    80     1.62106   120.31157   166.18245
   50    47 S   CT   _C15    42     1.55073   113.20866    18.12741
   51    50 S   HC   _H7_    43     1.09864   107.46056   -76.61101
   52    47 S   OS   _O34    73     1.45701   107.00134   138.02475
   53    49 S   CM   _C24    81     1.53183   111.79740  -178.85602
   54    53 S   HC   _H26    82     1.08895   116.31175   -67.39570
   55    49 S   CT   _C34   108     1.56012   109.79318    69.35869
   56    55 S   HC   _H39   109     1.08829   114.43370   -67.78117
   57    55 S   HC   _H40   110     1.09844   111.33054   170.86260
   58    55 S   HC   _H41   111     1.09458   112.52022    53.29115
   59    33 S   CT   _C14    44     1.61381   111.33217   179.65395
   60    50 S   OS   _O35    66     1.44645   110.24164   166.07841
   61    52 S   CO4  _C5_    74     1.36121   119.48241   140.42617
   62    61 S   O    _O33    75     1.22263   126.63270    -2.24864
   63    53 S   CM   _C25    83     1.33588   127.96492   117.78735
   64    63 S   HC   _H27    84     1.08383   121.54482   175.37662
   65    59 S   CT   _C13    45     1.58718   104.92285  -101.63361
   66    65 S   HC   _H6_    46     1.10131   107.93988   -98.55229
   67    59 S   CT   _C18    62     1.55172   114.84742    20.36179
   68    67 S   HC   _H19    63     1.09289   112.68272    51.45988
   69    67 S   HC   _H20    64     1.09436   112.17132   -68.33564
   70    67 S   HC   _H21    65     1.09578   111.57283   171.73556
   71    60 S   CO4  _C16    67     1.36386   117.32289    83.30595
   72    71 S   O    _O36    68     1.22344   126.37025     2.63990
   73    61 S   CT   _C4_    76     1.49804   109.31073   178.17801
   74    73 S   HC   _H9_    77     1.09301   109.79347   -59.92066
   75    73 S   HC   _H10    78     1.09371   109.37094  -178.89306
   76    73 S   HC   _H11    79     1.09291   109.80404    61.95889
   77    63 S   CO4  _C26    85     1.47493   120.73787    -5.17786
   78    77 S   O    _O39    86     1.22908   118.96278   166.46893
   79    65 S   C5BC _C19    47     1.50185   118.29657   141.91100
   80    65 S   CT   _C12    55     1.53137   105.37692    14.05100
   81    80 S   HC   _H14    56     1.09491   112.31035    82.58281
   82    80 S   HC   _H15    57     1.09601   110.66604  -156.77245
   83    71 S   CT   _C17    69     1.49851   109.79777  -178.27853
   84    83 S   HC   _H16    70     1.09169   109.82392   -80.34165
   85    83 S   HC   _H17    71     1.09374   109.21175   159.65334
   86    83 S   HC   _H18    72     1.09357   110.19859    41.49090
   87    77 S   CT   _C27    87     1.52560   117.40337   -16.83238
   88    79 S   C5BC _C20    48     1.42677   128.92489   -84.69719
   89    88 S   HA   _H22    49     1.08083   127.60585     1.09682
   90    49 S   CT   _C28    88     1.61445   110.24507   -57.06609
   91    90 S   HC   _H8_    89     1.09375   107.14771    26.07329
   92    87 S   CT   _C32   100     1.54285   106.60035   -77.88626
   93    92 S   HC   _H33   101     1.09299   111.00858   171.33084
   94    92 S   HC   _H34   102     1.09312   113.24832    48.11398
   95    92 S   HC   _H35   103     1.09676   110.94028   -69.31419
   96    87 S   CT   _C33   104     1.54470   109.19113   168.31028
   97    96 S   HC   _H36   105     1.09501   111.18476  -176.93778
   98    96 S   HC   _H37   106     1.09734   111.31205    63.83572
   99    96 S   HC   _H38   107     1.09421   112.32415   -54.20216
  100    88 S   C5A  _C21    50     1.37441   106.80513  -179.36511
  101   100 S   HA   _H23    51     1.08022   133.82071  -179.66428
  102    90 S   CT   _C29    90     1.56160   113.23525   142.87182
  103   102 S   HC   _H28    91     1.09546   110.24754    88.25498
  104   102 S   HC   _H29    92     1.09099   112.89949   -31.60700
  105   100 S   OA   _O37    52     1.35571   110.43986     0.53082
  106   102 S   CO4  _C30    93     1.51804   113.51094  -147.70425
  107   106 S   O    _O40    94     1.22373   124.81651    33.42345
  108    79 S   C5A  _C22    53     1.38241   126.35608    96.97732
  109   108 S   HA   _H24    54     1.07976   133.34999    -0.34150
  110   106 S   OS   _O41    95     1.36479   109.43235  -148.64402
  111   110 S   CT   _C31    96     1.43044   115.18439  -179.53522
  112   111 S   HC   _H30    97     1.09326   108.11040  -178.88057
  113   111 S   HC   _H31    98     1.09418   110.25678    62.42534
  114   111 S   HC   _H32    99     1.09432   110.31541   -60.19190
  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  12   5   4   3
  26   2   1   1  20  14   7  24   9   6   1   5   1   1  16   7
  20  16   6   8  13   5   8   3   2   1  14   8   5   4   7   3
  15   7   5   2   1   1   5   4   3   2   1   1  13   4  10   4
   1   1   3   2   1   1  14   6   4  15   6   8   3   2   1   4
   2   1   1   4   2   6   4   3   2   6   2   1   1   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    50    59    65    80    38    39    42    67    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    50    51    59    65    66    79    80    81    82    38    39    42    43    67    68    69    70    60    49    44    45    46  
   35    36  
   36  
    0  
   40    41    47    48    50    59    65    80    38    39    42    67    52    49    53    90    55    44    45    46  
   39    42    43    67    44    40    50    59    65    66    79    80    81    82  
   42    43    59    65    80    81    82  
   41    47    48    50    51    59    60    52    61    49    53    54    63    87    90    91   102    55    56    57    58    44    45    46  
   47    48    50    52    49    53    90    55    44  
   43    59    65    80    81    82  
   80  
   45    46    47    49    59  
   46  
    0  
   48    50    51    59    65    67    60    71    52    61    62    73    49    53    90    55  
   50    51    59    60    52    61    49  
   53    54    63    64    77    87    90    91   102   103   104   106    92    96    55    56    57    58    50    52  
   51    59    65    66    79    80    67    68    69    70    60    71    72    83    52    61  
   59    65    67    60    71    52  
   61    62    73    74    75    76    59    60  
   54    63    64    77    78    87    90    91   102    55    56    57    58  
   63    64    77    90    55  
   56    57    58    63    87    90    91   102  
   57    58    90  
   58    90  
   90  
   65    66    79    88   108    80    81    82    67    68    69    70    60    71  
   71    72    83    84    85    86    65    67  
   62    73    74    75    76  
   73    74    75    76  
   64    77    78    87    90    92    96  
   77    78    87  
   66    79    88    89   100   105   108   109    80    81    82    67    68    69    70  
   79    88   108    80    81    82    67  
   68    69    70    79    80  
   69    70  
   70  
    0  
   72    83    84    85    86  
   83    84    85    86  
   74    75    76  
   75    76  
   76  
    0  
   78    87    90    91   102    92    93    94    95    96    97    98    99  
   87    90    92    96  
   88    89   100   101   105   108   109    80    81    82  
   81    82    88   108  
   82  
    0  
   84    85    86  
   85    86  
   86  
    0  
   90    91   102   103   104   106    92    93    94    95    96    97    98    99  
   89   100   101   105   108   109  
  100   101   105   108  
   91   102   103   104   106   107   110    92    93    94    95    96    97    98    99  
  102   103   104   106    92    96  
   93    94    95    96    97    98    99   102  
   94    95    96  
   95    96  
   96  
   97    98    99   102  
   98    99  
   99  
    0  
  101   105   108   109  
  105   108  
  103   104   106   107   110   111  
  104   106   107   110  
  106   107   110  
  108   109  
  107   110   111   112   113   114  
  110   111  
  109  
    0  
  111   112   113   114  
  112   113   114  
  113   114  
  114  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.205000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.180000   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  101   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  102   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
  106   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  108   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  109   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  110   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  111   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  113   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  114   2.4200   0.0150   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    59   268.000  1.529
   33    38   268.000  1.529
   37    40   317.000  1.510
   37    44   549.000  1.340
   40    41   340.000  1.090
   40    47   268.000  1.529
   40    49   268.000  1.529
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    52   320.000  1.410
   50    51   340.000  1.090
   50    59   268.000  1.529
   50    60   320.000  1.410
   59    65   268.000  1.529
   59    67   268.000  1.529
   65    66   340.000  1.090
   65    79   285.000  1.502
   65    80   268.000  1.529
   79    88   469.000  1.424
   79   108   546.000  1.367
   88    89   367.000  1.080
   88   100   546.000  1.367
  100   101   367.000  1.080
  100   105   340.000  1.360
  105   108   340.000  1.360
  108   109   367.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    38   268.000  1.529
   38    39   340.000  1.090
   38    42   320.000  1.410
   42    43   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   60    71   214.000  1.327
   71    72   570.000  1.229
   71    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   52    61   214.000  1.327
   61    62   570.000  1.229
   61    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   49    53   317.000  1.510
   49    90   268.000  1.529
   49    55   268.000  1.529
   53    54   340.000  1.080
   53    63   549.000  1.340
   63    64   340.000  1.080
   63    77   320.000  1.462
   77    78   570.000  1.229
   77    87   317.000  1.522
   87    90   268.000  1.529
   87    92   268.000  1.529
   87    96   268.000  1.529
   90    91   340.000  1.090
   90   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   106   317.000  1.522
  106   107   570.000  1.229
  106   110   214.000  1.327
  110   111   320.000  1.410
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   44    45   340.000  1.080
   44    46   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    59    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    40    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    59    50    58.35000  112.70000
   33    59    65    58.35000  112.70000
   33    59    67    58.35000  112.70000
   33    38    80    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    42    50.00000  109.50000
   37    40    41    35.00000  109.50000
   37    40    47    70.00000  112.02700
   37    40    49    70.00000  112.02700
   37    44    45    35.00000  120.00000
   37    44    46    35.00000  120.00000
   40    47    48    37.50000  110.70000
   40    47    50    58.35000  112.70000
   40    47    52    50.00000  109.50000
   40    49    53    70.00000  112.02700
   40    49    90    58.35000  112.70000
   40    49    55    58.35000  112.70000
   47    40    41    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    59    58.35000  112.70000
   47    50    60    50.00000  109.50000
   47    52    61    83.00000  116.90000
   50    47    48    37.50000  110.70000
   50    59    65    58.35000  112.70000
   50    59    67    58.35000  112.70000
   50    60    71    83.00000  116.90000
   59    33    37    70.00000  112.02700
   59    50    51    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    79    70.00000  112.17500
   59    65    80    58.35000  112.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    70    37.50000  110.70000
   65    79    88    60.00000  130.00000
   65    79   108    60.00000  130.00000
   65    80    81    37.50000  110.70000
   65    80    82    37.50000  110.70000
   65    80    38    58.35000  112.70000
   79    65    66    35.00000  109.50000
   79    88    89    35.00000  127.50000
   79    88   100    70.00000  107.30000
   79   108   105    70.00000  110.60000
   79   108   109    35.00000  132.10000
   88   100   101    35.00000  132.10000
   88   100   105    70.00000  110.60000
  100    88    89    35.00000  125.70000
  100   105   108    70.00000  106.50000
  105   100   101    35.00000  113.40000
  105   108   109    35.00000  113.40000
  108    79    88    70.00000  107.30000
   80    65    66    37.50000  110.70000
   80    65    79    70.00000  112.17500
   80    38    39    37.50000  110.70000
   80    38    42    50.00000  109.50000
   82    80    81    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    59    58.35000  112.70000
   38    80    81    37.50000  110.70000
   38    80    82    37.50000  110.70000
   38    42    43    55.00000  108.50000
   42    38    39    35.00000  109.50000
   67    59    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   60    50    51    35.00000  109.50000
   60    50    59    50.00000  109.50000
   60    71    72    83.00000  123.40000
   60    71    83    81.00000  111.40000
   71    83    84    35.00000  109.50000
   71    83    85    35.00000  109.50000
   71    83    86    35.00000  109.50000
   83    71    72    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    50    50.00000  109.50000
   52    61    62    83.00000  123.40000
   52    61    73    81.00000  111.40000
   61    73    74    35.00000  109.50000
   61    73    75    35.00000  109.50000
   61    73    76    35.00000  109.50000
   73    61    62    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   49    40    41    37.50000  110.70000
   49    40    47    58.35000  112.70000
   49    53    54    35.00000  117.00000
   49    53    63    70.00000  124.00000
   49    90    87    58.35000  112.70000
   49    90    91    37.50000  110.70000
   49    90   102    58.35000  112.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    37.50000  110.70000
   53    63    64    35.00000  120.00000
   53    63    77    65.00000  118.96000
   63    53    54    35.00000  120.00000
   63    77    78    80.00000  123.72100
   63    77    87    65.00000  118.62400
   77    63    64    40.00000  117.72500
   77    87    90    63.00000  111.10000
   77    87    92    63.00000  111.10000
   77    87    96    63.00000  111.10000
   87    77    78    80.00000  120.40000
   87    90    91    37.50000  110.70000
   87    90   102    58.35000  112.70000
   87    92    93    37.50000  110.70000
   87    92    94    37.50000  110.70000
   87    92    95    37.50000  110.70000
   87    96    97    37.50000  110.70000
   87    96    98    37.50000  110.70000
   87    96    99    37.50000  110.70000
   90    49    53    70.00000  112.02700
   90   102   103    37.50000  110.70000
   90   102   104    37.50000  110.70000
   90   102   106    63.00000  111.10000
  102    90    91    37.50000  110.70000
  102   106   107    80.00000  120.40000
  102   106   110    81.00000  111.40000
  104   102   103    33.00000  107.80000
  106   102   103    35.00000  109.50000
  106   102   104    35.00000  109.50000
  106   110   111    83.00000  116.90000
  110   106   107    83.00000  123.40000
  110   111   112    35.00000  109.50000
  110   111   113    35.00000  109.50000
  110   111   114    35.00000  109.50000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   92    87    90    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   96    87    90    58.35000  112.70000
   96    87    92    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   55    49    53    70.00000  112.02700
   55    49    90    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   44    37    40    70.00000  124.00000
   46    44    45    35.00000  117.00000
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
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   49    40    47    50   0.20000  1.0 3.0
   49    40    47    52   0.62750  1.0 1.0
   49    40    47    52  -0.30950 -1.0 2.0
   49    40    47    52   0.27300  1.0 3.0
   49    53    63    64   7.00000 -1.0 2.0
   49    53    63    77   7.00000 -1.0 2.0
   49    90   102   103   0.15000  1.0 3.0
   49    90   102   104   0.15000  1.0 3.0
   49    90   102   106  -0.95700  1.0 1.0
   49    90   102   106  -0.18200 -1.0 2.0
   49    90   102   106   0.29450  1.0 3.0
   53    49    90    87   0.34400  1.0 1.0
   53    49    90    87   0.09450 -1.0 2.0
   53    49    90    87   0.11100  1.0 3.0
   53    49    90    91   0.15000  1.0 3.0
   53    49    90   102   0.34400  1.0 1.0
   53    49    90   102   0.09450 -1.0 2.0
   53    49    90   102   0.11100  1.0 3.0
   53    49    55    56   0.15000  1.0 3.0
   53    49    55    57   0.15000  1.0 3.0
   53    49    55    58   0.15000  1.0 3.0
   53    63    77    78   1.00000 -1.0 2.0
   53    63   -77    87  -0.33500  1.0 1.0
   53    63   -77    87   1.06600 -1.0 2.0
   53    63   -77    87  -0.14000  1.0 3.0
   54    53    63    64   7.00000 -1.0 2.0
   54    53    63    77   7.00000 -1.0 2.0
   63    77    87    90   0.65300  1.0 1.0
   63    77    87    90  -0.03850 -1.0 2.0
   63    77    87    90   0.33900  1.0 3.0
   63    77    87    92   0.65300  1.0 1.0
   63    77    87    92  -0.03850 -1.0 2.0
   63    77    87    92   0.33900  1.0 3.0
   63    77    87    96   0.65300  1.0 1.0
   63    77    87    96  -0.03850 -1.0 2.0
   63    77    87    96   0.33900  1.0 3.0
   64    63    77    78   0.00000  1.0 1.0
   64    63    77    87   0.04550  1.0 1.0
   64    63    77    87   0.83000 -1.0 2.0
   64    63    77    87  -0.04000  1.0 3.0
   77    87   -90    49  -0.95700  1.0 1.0
   77    87   -90    49  -0.18200 -1.0 2.0
   77    87   -90    49   0.29450  1.0 3.0
   77    87    90    91  -0.11250  1.0 3.0
   77    87    90   102  -0.95700  1.0 1.0
   77    87    90   102  -0.18200 -1.0 2.0
   77    87    90   102   0.29450  1.0 3.0
   77    87    92    93  -0.11250  1.0 3.0
   77    87    92    94  -0.11250  1.0 3.0
   77    87    92    95  -0.11250  1.0 3.0
   77    87    96    97  -0.11250  1.0 3.0
   77    87    96    98  -0.11250  1.0 3.0
   77    87    96    99  -0.11250  1.0 3.0
   78    77    87    90   0.30150 -1.0 2.0
   78    77    87    92   0.30150 -1.0 2.0
   78    77    87    96   0.30150 -1.0 2.0
   87    90   102   103   0.15000  1.0 3.0
   87    90   102   104   0.15000  1.0 3.0
   87    90   102   106  -0.95700  1.0 1.0
   87    90   102   106  -0.18200 -1.0 2.0
   87    90   102   106   0.29450  1.0 3.0
   90    49    53    54   0.00000  1.0 1.0
   90    49   -53    63   0.09850  1.0 1.0
   90    49   -53    63   0.15250 -1.0 2.0
   90    49   -53    63  -0.50650  1.0 3.0
   90    49    55    56   0.15000  1.0 3.0
   90    49    55    57   0.15000  1.0 3.0
   90    49    55    58   0.15000  1.0 3.0
   90    87    92    93   0.15000  1.0 3.0
   90    87    92    94   0.15000  1.0 3.0
   90    87    92    95   0.15000  1.0 3.0
   90    87    96    97   0.15000  1.0 3.0
   90    87    96    98   0.15000  1.0 3.0
   90    87    96    99   0.15000  1.0 3.0
   90   102   106   107   0.30150 -1.0 2.0
   90   102   106   110   0.36750  1.0 3.0
   91    90   102   103   0.15000  1.0 3.0
   91    90   102   104   0.15000  1.0 3.0
   91    90   102   106  -0.11250  1.0 3.0
  102   106   110   111   1.63150  1.0 1.0
  102   106   110   111   2.92000 -1.0 2.0
  103   102   106   107   0.00000  1.0 1.0
  103   102   106   110   0.00000  1.0 1.0
  104   102   106   107   0.00000  1.0 1.0
  104   102   106   110   0.00000  1.0 1.0
  106   110   111   112   0.08050  1.0 3.0
  106   110   111   113   0.08050  1.0 3.0
  106   110   111   114   0.08050  1.0 3.0
  107   106   110   111   3.00000 -1.0 2.0
   92    87    90    49   0.56750  1.0 1.0
   92    87    90    49  -0.07550 -1.0 2.0
   92    87    90    49   0.20000  1.0 3.0
   92    87    90    91   0.15000  1.0 3.0
   92    87    90   102   0.56750  1.0 1.0
   92    87    90   102  -0.07550 -1.0 2.0
   92    87    90   102   0.20000  1.0 3.0
   92    87    96    97   0.15000  1.0 3.0
   92    87    96    98   0.15000  1.0 3.0
   92    87    96    99   0.15000  1.0 3.0
   96    87    90    49   0.56750  1.0 1.0
   96    87    90    49  -0.07550 -1.0 2.0
   96    87    90    49   0.20000  1.0 3.0
   96    87    90    91   0.15000  1.0 3.0
   96    87    90   102   0.56750  1.0 1.0
   96    87    90   102  -0.07550 -1.0 2.0
   96    87    90   102   0.20000  1.0 3.0
   96    87    92    93   0.15000  1.0 3.0
   96    87    92    94   0.15000  1.0 3.0
   96    87    92    95   0.15000  1.0 3.0
   55    49    53    54   0.00000  1.0 1.0
   55    49    53    63   0.09850  1.0 1.0
   55    49    53    63   0.15250 -1.0 2.0
   55    49    53    63  -0.50650  1.0 3.0
   55    49    90    87   0.56750  1.0 1.0
   55    49    90    87  -0.07550 -1.0 2.0
   55    49    90    87   0.20000  1.0 3.0
   55    49    90    91   0.15000  1.0 3.0
   55    49    90   102   0.56750  1.0 1.0
   55    49    90   102  -0.07550 -1.0 2.0
   55    49    90   102   0.20000  1.0 3.0
   44    37    40    41   0.00000  1.0 1.0
   44    37    40    47   0.09850  1.0 1.0
   44    37    40    47   0.15250 -1.0 2.0
   44    37    40    47  -0.50650  1.0 3.0
   44    37    40    49   0.09850  1.0 1.0
   44    37    40    49   0.15250 -1.0 2.0
   44    37    40    49  -0.50650  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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    44   1.10000 -1.0 2.0
   88   108    79    65   4.00000 -1.0 2.0
  100    89    88    79   1.10000 -1.0 2.0
  105   101   100    88   1.10000 -1.0 2.0
  105   109   108    79   1.10000 -1.0 2.0
   60    83    71    72  10.50000 -1.0 2.0
   52    73    61    62  10.50000 -1.0 2.0
   49    54    53    63   1.10000 -1.0 2.0
   77    64    63    53   1.10000 -1.0 2.0
   63    87    77    78  10.50000 -1.0 2.0
  102   110   106   107  10.50000 -1.0 2.0
   45    46    44    37   1.10000 -1.0 2.0
END
