* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    206    324     615
    1     0 S   NP   _N1_     1    29.50634    93.84207   -25.39818
    2     1 S   H    _HN1     2     1.02780   108.15589  -127.78469
    3     1 S   H    _H1_     3     1.02964    99.92033   -14.65887
    4     1 S   H    _H2_     4     1.02839     7.72161   143.12651
    5     1 S   CT   _CA1     5     1.50116   116.86522   104.40612
    6     5 S   HC   _HA1     6     1.09568   105.27619    64.51125
    7     5 S   CO3  _C1_     7     1.53805   112.29496   -55.82655
    8     7 S   O2Z  _O11     8     1.26369   115.01164   -45.35617
    9     7 S   O2Z  _O12     9     1.26224   114.92526   133.83088
   10     5 S   CT   _CB1    10     1.53070   107.42695  -177.49072
   11    10 S   HC   HB11    11     1.09830   109.49197   -50.00591
   12    10 S   HC   HB12    12     1.09801   110.32207    66.49449
   13    10 S   CT   _CG1    13     1.53032   112.70747  -171.03932
   14    13 S   HC   HG11    14     1.09586   110.55652   -61.14341
   15    13 S   HC   HG12    15     1.09630   110.01758    58.18888
   16    13 S   C    _CD1    16     1.51694   112.08024   178.70442
   17    16 S   O    _OE1    17     1.22799   123.36588    -0.90698
   18    16 S   N    _N2_    18     1.38584   112.00581   178.69884
   19    18 S   H    _HN2    19     1.01597   119.44129     5.00954
   20    18 S   CT1  _CA2    20     1.45690   122.28700  -178.41316
   21    20 S   HC   _HA2    21     1.09310   109.36806    20.06288
   22    20 S   C    _C2_    22     1.52813   105.37166   -96.73240
   23    22 S   O    _O2_    23     1.22937   122.56349   -88.16336
   24    20 S   CT   _CB2    32     1.53088   112.25239   142.46216
   25    24 S   HC   HB21    33     1.09624   110.19842    65.13153
   26    24 S   HC   HB22    34     1.09560   110.45541  -177.69701
   27    22 S   N    _N3_    24     1.38586   112.78216    87.82960
   28    27 S   H    _HN3    25     1.01486   119.65047     1.85055
   29    24 S   S    _SG2    35     1.82834   114.68333   -53.86055
   30    27 S   CT   _CA3    26     1.45446   122.93530   179.84934
   31    30 S   HC   HA31    27     1.09533   109.03240    30.49471
   32    30 S   HC   HA32    28     1.09495   107.20460   147.42417
   33    29 S   CT   _C19    36     1.84488   101.27261   -61.76177
   34    33 S   HC   _H7_    37     1.09464   107.41013    60.83928
   35    30 S   CO3  _C3_    29     1.52878   113.16447   -92.83082
   36    35 S   O2Z  _O31    30     1.26310   115.09381   134.21942
   37    35 S   O2Z  _O32    31     1.26425   115.35833   -46.64830
   38    33 S   CT   _C20    38     1.54667   108.49852   179.96044
   39    38 S   HC   _H8_    39     1.09897   109.32689    51.39105
   40    38 S   CT   _C16    40     1.55142   111.78758   170.29919
   41    40 S   HC   _H4_    41     1.09782   106.83293    67.79600
   42    38 S   CO4  _C21   105     1.52613   110.24702   -66.33420
   43    42 S   O    _O35   106     1.22527   123.23937   120.28404
   44    40 S   CT   _C17    42     1.55500   110.37382   -48.55981
   45    44 S   HC   _H5_    43     1.09662   107.63847   169.32401
   46    40 S   CT   _C15    75     1.55128   111.96104  -175.15127
   47    46 S   HC   _H23    76     1.09638   109.18789    76.35219
   48    46 S   HC   _H24    77     1.09482   109.99841   -37.24923
   49    42 S   OS   _O36   107     1.36308   111.14138   -60.15737
   50    44 S   CO   _C18    44     1.54040   109.58065    52.84603
   51    50 S   HC   _H6_    45     1.09695   108.85627  -175.42555
   52    44 S   CM   _C29    70     1.51455   114.08902   -70.59473
   53    52 S   HC   _H34    71     1.08741   117.97511    60.96425
   54    46 S   CT   _C14    78     1.55401   114.12702  -159.84949
   55    54 S   HC   _H3_    79     1.09227   108.88577   -52.86017
   56    49 S   CT   _C22   108     1.43028   115.38155   179.74899
   57    56 S   HC   _H25   109     1.09309   108.06514   179.45715
   58    56 S   HC   _H26   110     1.09414   110.32777    60.78806
   59    56 S   HC   _H27   111     1.09404   110.18369   -61.84647
   60    33 S   OS   _O34    46     1.42560   109.52432   -57.07337
   61    50 S   OS1  _O37    47     1.43142   107.81437    67.11272
   62    52 S   CM   _C30    72     1.33855   123.83040  -119.69510
   63    62 S   HC   _H35    73     1.08481   120.44610  -179.66604
   64    62 S   HC   _H36    74     1.08451   121.66405     0.30455
   65    54 S   CA   _C13    80     1.52753   109.81026  -169.50682
   66    54 S   N    _N4_    94     1.48564   111.74063    67.76495
   67    61 S   CO1  _C23    48     1.42987   113.83715   169.95960
   68    67 S   HC   _H9_    49     1.09552   108.62276    54.30296
   69    65 S   CA   _C12    81     1.40591   119.31947    73.06748
   70    69 S   HA   _H22    82     1.08718   119.68659     0.91300
   71    66 S   C    _C5_    95     1.39556   126.14625  -113.61272
   72    71 S   O    _O33    96     1.23422   123.68414  -177.88817
   73    67 S   CT   _C24    50     1.53296   107.06369   173.67817
   74    73 S   HC   _H10    51     1.09709   109.69488    55.49969
   75    69 S   CA   _C11    83     1.39429   120.37095  -178.96883
   76    71 S   CT   _C4_    97     1.50609   117.40572     1.56673
   77    76 S   HC   _H14    98     1.08947   110.30518    64.24732
   78    76 S   HC   _H15    99     1.09265   110.59286   -58.77470
   79    76 S   HC   _H16   100     1.09468   109.27930  -177.32080
   80    73 S   CT   _C25    52     1.53034   110.95864   176.82608
   81    80 S   HC   _H11    53     1.09557   110.26668    73.35623
   82    73 S   OH5  _O42    68     1.42762   110.40946   -60.98688
   83    82 S   HO   _H33    69     0.97308   108.91168   -64.17177
   84    75 S   CA   _C10    84     1.39061   120.22551    -0.27052
   85    75 S   OH   _O43   103     1.36730   120.44291   179.80416
   86    85 S   HO   _H37   104     0.97196   108.80782    -0.18131
   87    80 S   CT   _C26    54     1.53288   111.15431   -49.51070
   88    87 S   HC   _H12    55     1.09712   108.86135   -72.09023
   89    80 S   OH5  _O41    66     1.42994   109.51524  -170.83376
   90    89 S   HO   _H32    67     0.97221   108.11310    61.49797
   91    84 S   CA   _C9_    85     1.39403   120.21427    -0.09065
   92    91 S   HA   _H21    86     1.08734   120.13736  -179.06351
   93    84 S   OH   _O44   101     1.36730   119.32803  -179.76593
   94    93 S   HO   _H38   102     0.97201   108.76596   180.00000
   95    87 S   CT   _C27    56     1.53386   111.02420    48.99596
   96    95 S   HC   _H13    57     1.09772   111.15764    64.94752
   97    87 S   OH5  _O40    64     1.42539   109.69882   171.31162
   98    97 S   HO   _H31    65     0.97743   107.92362   -62.26736
   99    65 S   CA   _C8_    87     1.41138   121.42424  -106.05498
  100    67 S   OS1  _O38    58     1.42846   111.32587   -66.91504
  101    95 S   CT   _C28    59     1.52946   111.46425  -174.29917
  102   101 S   HC   _H28    60     1.09497   111.00255    68.31269
  103   101 S   HC   _H29    61     1.09406   111.46336   -54.02009
  104    99 S   CT   _C7_    88     1.51039   121.31508    -4.20188
  105   104 S   HC   _H19    89     1.09617   110.27014   140.57099
  106   104 S   HC   _H20    90     1.09746   107.63483  -102.03015
  107   101 S   OH5  _O39    62     1.42515   109.14031  -173.06913
  108   107 S   HO   _H30    63     0.97228   106.98784   179.66780
  109   104 S   CT   _C6_    91     1.52441   112.64036    18.48366
  110   109 S   HC   _H17    92     1.09436   110.94357    73.90322
  111   109 S   HC   _H18    93     1.09490   109.58790  -168.63958
  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   8   5   4   3
  14   6   2   1   1  16   8  20   9   9   2  15   8  12   5   4
   4  10   4   6   3  15   6   3   2   1   1   2   8   2   1   1
  14  14  13   6   9   4   9   5  12   7   8   4   2   1   1  13
   7   4   1   8   3   1  12   7   3   1   8   3   2   1   9   6
   3   1   6   4   4   3   2   5   4   3   1   1   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    60    61    46    42    43    49  
   38    39    40    50    60    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    60    52    46    47    48    54    42    43    49    56  
   40    41    44    60    46    42    43    49  
   41    44    45    50    51    60    61    52    53    62    46    47    48    54    55    65    66    42    43    49  
   44    45    50    52    46    47    48    54    42  
   43    49    56    57    58    59    44    46    60  
   49    56  
   45    50    51    60    61    67    52    53    62    63    64    46    47    48    54  
   50    51    60    61    52    53    62    46  
   47    48    54    55    65    69    99   109    66    71    50    52  
   48    54    55    65    66  
   54    55    65    66  
   56    57    58    59  
   51    60    61    67    68    73   100    52    53    62  
   60    61    67    52  
   53    62    63    64    60    61  
   62    63    64  
   55    65    69    70    75    91    99   104   109   110   111    66    71    72    76  
   65    69    99   109    66    71  
   57    58    59  
   58    59  
   59  
    0  
   61    67  
   67    68    73    74    80    95   100    82  
   63    64  
   64  
    0  
   69    70    75    84    91    92    99   104   105   106   109    66    71    85  
   71    72    76    77    78    79    69    99   104   105   106   109   110   111  
   68    73    74    80    81    87    95    96   100   101    89    82    83  
   73    74    80    95   100    82  
   70    75    84    91    99   104    93    85    86  
   75    84    99    85  
   72    76    77    78    79   104   109   110   111  
   76    77    78    79   109  
   74    80    81    87    88    95   100    97    89    90    82    83  
   80    81    87   100    89    82    83  
   84    91    92    99    93    94    85    86  
   77    78    79   109  
   78    79  
   79  
    0  
   81    87    88    95    96   100   101    97    98    89    90    82    83  
   87    88    95    97    89    90    82  
   83    87    89   100  
    0  
   91    92    99   104    93    94    85    86  
   86    91    93  
    0  
   88    95    96   100   101   102   103   107    97    98    89    90  
   95    96   100   101    97    98    89  
   90    95    97  
    0  
   92    99   104   105   106   109    93    94  
   99   104    93  
   94    99  
    0  
   96   100   101   102   103   107   108    97    98  
  100   101   102   103   107    97  
   98   100   101  
    0  
  104   105   106   109   110   111  
  101   102   103   107  
  102   103   107   108  
  103   107   108  
  107   108  
  105   106   109   110   111  
  106   109   110   111  
  109   110   111  
  108  
    0  
  110   111  
  111  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.125000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   67   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
  100   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  101   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  108   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  109   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    60   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    50   250.000  1.527
   44    52   317.000  1.510
   50    51   340.000  1.090
   50    60   320.000  1.380
   50    61   320.000  1.380
   61    67   370.000  1.399
   67    68   360.000  1.097
   67    73   255.000  1.525
   67   100   370.000  1.399
   73    74   340.000  1.090
   73    80   268.000  1.529
   73    82   355.000  1.421
   80    81   340.000  1.090
   80    87   268.000  1.529
   80    89   355.000  1.421
   87    88   340.000  1.090
   87    95   268.000  1.529
   87    97   355.000  1.421
   95    96   340.000  1.090
   95   100   335.000  1.422
   95   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   107   355.000  1.421
  107   108   580.000  0.967
   97    98   580.000  0.967
   89    90   580.000  0.967
   82    83   580.000  0.967
   52    53   340.000  1.080
   52    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    65   317.000  1.510
   54    66   337.000  1.449
   65    69   469.000  1.400
   65    99   469.000  1.400
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    84   469.000  1.400
   75    85   450.000  1.364
   84    91   469.000  1.400
   84    93   450.000  1.364
   91    92   367.000  1.080
   91    99   469.000  1.400
   99   104   317.000  1.510
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109    66   337.000  1.449
   66    71   490.000  1.335
   71    72   570.000  1.229
   71    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   93    94   553.000  0.945
   85    86   553.000  0.945
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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  111.63000
   29    33    60    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    60    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    50    75.00000  109.43000
   40    44    52    70.00000  112.02700
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    54    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    45.00000  112.01100
   44    50    60    90.00000  108.56700
   44    50    61    90.00000  108.56700
   44    52    53    35.00000  117.00000
   44    52    62    70.00000  124.00000
   50    44    45    45.00000  108.72000
   50    61    67    90.00000  112.10700
   60    33    34    35.00000  109.50000
   60    33    38    50.00000  109.50000
   60    50    51    35.00000  109.50000
   61    50    51    35.00000  109.50000
   61    50    60    92.60000  111.55000
   61    67    68    60.00000  105.75400
   61    67    73    90.00000  109.70700
   61    67   100   110.00000  113.16000
   67    73    74    45.00000  109.54000
   67    73    80    70.00000  111.10000
   67    73    82    90.00000  109.42000
   67   100    95    90.00000  112.10700
   73    67    68    45.00000  111.65000
   73    80    81    37.50000  110.70000
   73    80    87    58.35000  112.70000
   73    80    89    90.00000  111.45300
   73    82    83    65.00000  108.53500
   80    73    74    37.50000  110.70000
   80    87    88    37.50000  110.70000
   80    87    95    58.35000  112.70000
   80    87    97    90.00000  111.45300
   80    89    90    65.00000  108.53500
   87    80    81    37.50000  110.70000
   87    95    96    37.50000  110.70000
   87    95   100    95.00000  107.88500
   87    95   101    58.35000  112.70000
   87    97    98    65.00000  108.53500
   95    87    88    37.50000  110.70000
   95   101   102    37.50000  110.70000
   95   101   103    37.50000  110.70000
   95   101   107    90.00000  111.45300
  100    67    68    60.00000  105.75400
  100    67    73    90.00000  109.70700
  100    95    96    55.00000  108.98800
  101    95    96    37.50000  110.70000
  101    95   100    95.00000  107.88500
  101   107   108    65.00000  108.53500
  103   101   102    33.00000  107.80000
  107   101   102    60.00000  109.39000
  107   101   103    60.00000  109.39000
   97    87    88    60.00000  109.39000
   97    87    95    90.00000  111.45300
   89    80    81    60.00000  109.39000
   89    80    87    90.00000  111.45300
   82    73    74    60.00000  109.39000
   82    73    80    90.00000  111.45300
   52    44    45    35.00000  109.50000
   52    44    50    70.00000  112.02700
   52    62    63    35.00000  120.00000
   52    62    64    35.00000  120.00000
   62    52    53    35.00000  120.00000
   64    62    63    35.00000  117.00000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    54    55    37.50000  110.70000
   46    54    65    70.00000  112.17500
   46    54    66    70.00000  110.72300
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    65    69    70.00000  120.00000
   54    65    99    70.00000  120.00000
   54    66   109    50.00000  118.00000
   54    66    71    50.00000  121.90000
   65    54    55    35.00000  109.50000
   65    69    70    35.00000  120.00000
   65    69    75    63.00000  120.00000
   65    99    91    63.00000  120.00000
   65    99   104    70.00000  120.00000
   69    75    84    63.00000  120.00000
   69    75    85    70.00000  120.00000
   75    69    70    35.00000  120.00000
   75    84    91    63.00000  120.00000
   75    84    93    70.00000  120.00000
   75    85    86    35.00000  113.00000
   84    91    92    35.00000  120.00000
   84    91    99    63.00000  120.00000
   84    93    94    35.00000  113.00000
   91    99   104    70.00000  120.00000
   99    65    69    63.00000  120.00000
   99    91    92    35.00000  120.00000
   99   104   105    35.00000  109.50000
   99   104   106    35.00000  109.50000
   99   104   109    70.00000  112.17500
  104   109   110    37.50000  110.70000
  104   109   111    37.50000  110.70000
  104   109    66    70.00000  110.72300
  106   104   105    33.00000  107.80000
  109   104   105    37.50000  110.70000
  109   104   106    37.50000  110.70000
  109    66    71    50.00000  121.90000
  111   109   110    33.00000  107.80000
   66    54    55    35.00000  109.50000
   66    54    65    75.00000  111.96400
   66   109   110    35.00000  109.50000
   66   109   111    35.00000  109.50000
   66    71    72    80.00000  122.90000
   66    71    76    70.00000  116.60000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   76    71    72    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   93    84    91    70.00000  120.00000
   85    75    84    70.00000  120.00000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    56    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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
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   72    71    76    78   0.00000  1.0 1.0
   72    71    76    79   0.00000  1.0 1.0
   93    84    91    92   3.62500 -1.0 2.0
   93    84    91    99   3.62500 -1.0 2.0
   85    75    84    91   3.62500 -1.0 2.0
   85    75    84    93   3.62500 -1.0 2.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    46  -0.95700  1.0 1.0
   42    38    40    46  -0.18200 -1.0 2.0
   42    38    40    46   0.29450  1.0 3.0
   42    49    56    57   0.08050  1.0 3.0
   42    49    56    58   0.08050  1.0 3.0
   42    49    56    59   0.08050  1.0 3.0
   43    42    49    56   3.00000 -1.0 2.0
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
   44    53    52    62  15.00000 -1.0 2.0
   63    64    62    52  15.00000 -1.0 2.0
   69    99    65    54   4.00000 -1.0 2.0
   75    70    69    65   1.10000 -1.0 2.0
   84    85    75    69   4.00000 -1.0 2.0
   91    93    84    75   4.00000 -1.0 2.0
   99    92    91    84   1.10000 -1.0 2.0
   91   104    99    65   4.00000 -1.0 2.0
  109    71    66    54   1.00000 -1.0 2.0
   66    76    71    72  10.50000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
