* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    206    334     620
    1     0 S   NP   _N1_     1    29.46521    91.03834   -18.25347
    2     1 S   H    _HN1     2     1.02919    22.20348    79.12218
    3     1 S   H    _H1_     3     1.02807    95.62611   -45.18808
    4     1 S   H    _H2_     4     1.02993   129.42848    73.20393
    5     1 S   CT   _CA1     5     1.50506    99.12767  -158.59894
    6     5 S   HC   _HA1     6     1.09704   104.42738    43.93493
    7     5 S   CO3  _C1_     7     1.54324   111.18575   -71.74137
    8     7 S   O2Z  _O11     8     1.26013   116.75654  -114.07582
    9     7 S   O2Z  _O12     9     1.26568   113.77897    64.59899
   10     5 S   CT   _CB1    10     1.53066   107.08726   159.60474
   11    10 S   HC   HB11    11     1.09850   109.76648   -44.24616
   12    10 S   HC   HB12    12     1.09663   110.51781    72.23257
   13    10 S   CT   _CG1    13     1.52992   112.32649  -164.92494
   14    13 S   HC   HG11    14     1.09501   111.55869   -65.71940
   15    13 S   HC   HG12    15     1.09624   110.61095    53.42546
   16    13 S   C    _CD1    16     1.51357   110.33545   172.72873
   17    16 S   O    _OE1    17     1.22866   121.63738   -98.06449
   18    16 S   N    _N2_    18     1.38307   113.06746    80.59880
   19    18 S   H    _HN2    19     1.01624   119.16835     5.82329
   20    18 S   CT1  _CA2    20     1.45811   122.57872   179.81233
   21    20 S   HC   _HA2    21     1.09730   108.84021    25.29694
   22    20 S   C    _C2_    22     1.52899   107.42471   -92.06117
   23    22 S   O    _O2_    23     1.22941   122.95299   -26.47049
   24    20 S   CT   _CB2    32     1.53179   112.36516   148.30178
   25    24 S   HC   HB21    33     1.09515   109.96700    57.09273
   26    24 S   HC   HB22    34     1.09428   110.14895   175.64216
   27    22 S   N    _N3_    24     1.38649   112.32435   156.80214
   28    27 S   H    _HN3    25     1.01499   119.71115    -0.03956
   29    24 S   S    _SG2    35     1.82533   111.34476   -63.67399
   30    27 S   CT   _CA3    26     1.45410   122.71303   173.76558
   31    30 S   HC   HA31    27     1.09544   108.84311    32.80312
   32    30 S   HC   HA32    28     1.09473   107.18122   149.99999
   33    29 S   CT   _C24    36     1.86598    99.67391   179.07677
   34    33 S   HC   _H11    37     1.09626   105.99674   -16.34548
   35    30 S   CO3  _C3_    29     1.53144   113.80724   -89.92715
   36    35 S   O2Z  _O31    30     1.26369   116.05184   -24.38075
   37    35 S   O2Z  _O32    31     1.26445   114.51585   156.40130
   38    33 S   CT   _C25    38     1.54414   108.59577    99.46560
   39    38 S   HC   _H12    39     1.09361   111.03817  -171.62365
   40    38 S   CO4  _C26    40     1.52342   111.39650    69.99330
   41    40 S   O    _O38    41     1.23220   122.05944  -133.22981
   42    38 S   OH   _O39   104     1.41926   111.97059   -54.29825
   43    42 S   HO   _H27   105     0.97257   107.72782   -66.73191
   44    40 S   CT   _C5_    42     1.52359   117.24358    51.30523
   45    44 S   HC   _H3_    43     1.10081   105.35246  -157.30354
   46    44 S   CT   _C6_    44     1.55162   111.55538   -43.57107
   47    46 S   HC   _H4_    45     1.10036   102.88295   -71.50066
   48    44 S   CT   _C4_   100     1.52625   109.79919    89.36656
   49    48 S   HC   _H13   101     1.09068   113.31909   -55.07724
   50    48 S   HC   _H14   102     1.09318   112.09323  -178.65070
   51    48 S   HC   _H15   103     1.09699   109.59255    62.76220
   52    46 S   CT   _C7_    46     1.54163   112.80526   175.26550
   53    52 S   HC   _H16    47     1.09420   111.55985   -73.57624
   54    52 S   HC   _H17    48     1.09792   108.56135    43.94752
   55    52 S   CT   _C8_    49     1.52969   111.26657   163.16944
   56    55 S   HC   _H5_    50     1.09702   108.25233   179.67314
   57    55 S   CT   _C9_    51     1.52796   113.49972    56.25751
   58    55 S   OS   _O35    63     1.46282   105.68070   -67.72503
   59    57 S   CT   _C10    52     1.53592   115.57764    84.28216
   60    59 S   HC   _H18    53     1.08678   116.27163   -89.72374
   61    59 S   HC   _H19    54     1.09653   111.99531    33.99657
   62    57 S   CT   _C22    82     1.58752   112.65372   -47.04384
   63    62 S   HC   _H10    83     1.09403   103.32696   -67.76851
   64    59 S   OS   _O33    55     1.45049   105.78154   150.16339
   65    33 S   CT   _C23    84     1.58720   113.86365  -135.35903
   66    64 S   CT   _C11    56     1.46111   108.22629   -10.26935
   67    65 S   CT   _C27    85     1.55086   107.06030   172.21185
   68    67 S   HC   _H28    86     1.09186   112.11839   -56.40558
   69    67 S   HC   _H29    87     1.08789   113.23168  -179.68534
   70    67 S   HC   _H30    88     1.08754   112.96906    61.09233
   71    57 S   CT   _C12    57     1.53424   106.78123  -169.71114
   72    71 S   HC   _H6_    58     1.10197   107.94081   -58.87279
   73    66 S   CT   _C20    78     1.54688   106.70433    98.24276
   74    73 S   HC   _H8_    79     1.09731   109.11761    67.59367
   75    66 S   CO4  _C28    93     1.52573   104.93695  -140.76599
   76    75 S   O    _O42    94     1.22509   124.48054    15.79003
   77    71 S   CT   _C13    59     1.51692   113.56270    58.78722
   78    77 S   HC   _H7_    60     1.09043   110.89884    70.22993
   79    73 S   CT   _C21    80     1.54438   111.62661   -52.96669
   80    79 S   HC   _H9_    81     1.09381   108.94171  -161.98156
   81    73 S   OH   _O41    91     1.42413   112.73791  -173.47159
   82    81 S   HO   _H32    92     0.97477   108.80375   -53.96304
   83    75 S   OS   _O43    95     1.36327   110.52956  -165.01954
   84    77 S   CO4  _C14    61     1.51804   113.43902   -45.99113
   85    84 S   O    _O34    62     1.23023   121.27131  -161.25887
   86    77 S   OS   _O36    64     1.44108   111.97162  -173.12919
   87    79 S   OH   _O40    89     1.42159   108.74253    82.36842
   88    87 S   HO   _H31    90     0.97249   107.94161    60.02035
   89    83 S   CT   _C29    96     1.43094   115.80605   179.79442
   90    89 S   HC   _H33    97     1.09325   108.06663   170.87596
   91    89 S   HC   _H34    98     1.09407   110.93747    51.94429
   92    89 S   HC   _H35    99     1.09376   109.75163   -70.56427
   93    86 S   CO4  _C15    65     1.36150   119.54378    69.74269
   94    93 S   O    _O37    66     1.21907   126.99505     2.47631
   95    93 S   CM   _C16    67     1.47974   107.31124  -178.13586
   96    95 S   HC   _H20    68     1.08617   115.35810   -25.48789
   97    95 S   CM   _C17    69     1.34507   125.15667   154.70272
   98    97 S   CT   _C18    70     1.50675   119.78187   178.10783
   99    98 S   HC   _H21    71     1.09498   110.30562   118.11540
  100    98 S   HC   _H22    72     1.09525   112.43024    -2.02071
  101    98 S   HC   _H23    73     1.09500   110.17131  -122.02957
  102    97 S   CT   _C19    74     1.50319   126.04249    -3.11313
  103   102 S   HC   _H24    75     1.09450   110.15793   106.07223
  104   102 S   HC   _H25    76     1.09195   113.46870   -15.90690
  105   102 S   HC   _H26    77     1.09578   110.11226  -134.66547
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   8   2   1   1  12   6  13   5   3   1  14   8  20   8   5
   2   1   1  12   6   5  17   6  21   8  13   5   4  18   7  11
   9  17   4   2   1   1  14   6  11   6   9   2   7   4   5   3
   2   1   4   3   1   5   1   1   3   2   1   1   6   3  10   3
   8   7   3   2   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    65    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    62    65    67    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    46    47    52    57    79    62    63    65    67    68    69    70    42    43  
   38    39    40    46    62    65    67    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    62    65    67    48    42    43  
   40    41    44    65    42    43  
   41    44    45    46    47    52    65    48    49    50    51    42    43  
   44    45    46    48    42  
   43    44    65  
    0  
   45    46    47    52    53    54    55    62    65    67    48    49    50    51  
   46    47    52    65    48    49    50    51  
   47    52    53    54    55    56    57    58    79    62    63    65    67    68    69    70    48    49    50    51  
   52    53    54    55    62    65    67    48  
   49    50    51    52    65  
   50    51  
   51  
    0  
   53    54    55    56    57    59    71    84    58    62    65    67  
   54    55    56    57    58    65  
   55    56    57    58    65  
   56    57    59    60    61    64    66    71    72    77    84    85    58    79    62    63    65  
   57    59    71    84    58    62  
   59    60    61    64    66    71    72    77    78    84    58    86    73    79    80    62    63    65    67    87    75  
   86    62    59    71    77    78    84    85  
   60    61    64    66    71    72    77    73    79    62    63    65    75  
   61    64    66    71    62  
   64    66    71    62  
   63    65    67    68    69    70    87    88    81    64    66    71    72    73    74    77    79    80  
   65    67    87    71    73    79    80  
   66    71    72    77    73    74    79    81    75    76    83  
   67    68    69    70    87    71    73    79    80  
   71    72    77    78    84    86    73    74    79    80    87    81    82    75    76    83    89  
   68    69    70    79  
   69    70  
   70  
    0  
   72    77    78    84    85    86    93    73    74    79    81    75    76    83  
   77    78    84    86    73    75  
   74    79    80    87    88    81    82    75    76    83    77  
   79    80    87    81    82    75  
   76    83    89    90    91    92    77    79    81  
   83    89  
   78    84    85    86    93    94    95  
   84    85    86    93  
   80    87    88    81    82  
   87    88    81  
   82    87  
    0  
   89    90    91    92  
   85    86    93  
   86  
   93    94    95    96    97  
   88  
    0  
   90    91    92  
   91    92  
   92  
    0  
   94    95    96    97    98   102  
   95    96    97  
   96    97    98    99   100   101   102   103   104   105  
   97    98   102  
   98    99   100   101   102   103   104   105  
   99   100   101   102   103   104   105  
  100   101   102  
  101   102  
  102  
  103   104   105  
  104   105  
  105  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    65   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    44   317.000  1.522
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    52   268.000  1.529
   46    65   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    58   320.000  1.410
   57    59   268.000  1.529
   57    71   268.000  1.529
   57    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   320.000  1.410
   64    66   320.000  1.410
   66    71   268.000  1.529
   66    73   268.000  1.529
   66    75   317.000  1.522
   71    72   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    84   317.000  1.522
   77    86   320.000  1.410
   84    85   570.000  1.229
   84    58   214.000  1.327
   86    93   214.000  1.327
   93    94   570.000  1.229
   93    95   320.000  1.462
   95    96   340.000  1.080
   95    97   549.000  1.340
   97    98   317.000  1.510
   97   102   317.000  1.510
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   73    74   340.000  1.090
   73    79   268.000  1.529
   73    81   320.000  1.410
   79    80   340.000  1.090
   79    62   268.000  1.529
   79    87   320.000  1.410
   62    63   340.000  1.090
   62    65   268.000  1.529
   65    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   87    88   553.000  0.945
   81    82   553.000  0.945
   75    76   570.000  1.229
   75    83   214.000  1.327
   83    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    65    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    65    46    58.35000  112.70000
   33    65    62    58.35000  112.70000
   33    65    67    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    44    70.00000  116.00000
   38    42    43    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  109.50000
   40    44    46    63.00000  111.10000
   40    44    48    63.00000  111.10000
   44    40    41    80.00000  120.40000
   44    46    47    37.50000  110.70000
   44    46    52    58.35000  112.70000
   44    46    65    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    51    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    58.35000  112.70000
   46    65    62    58.35000  112.70000
   46    65    67    58.35000  112.70000
   52    46    47    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    58    50.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    59    58.35000  112.70000
   55    57    71    58.35000  112.70000
   55    57    62    58.35000  112.70000
   55    58    84    83.00000  116.90000
   57    55    56    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    64    50.00000  109.50000
   57    71    66    58.35000  112.70000
   57    71    72    37.50000  110.70000
   57    71    77    58.35000  112.70000
   57    62    79    58.35000  112.70000
   57    62    63    37.50000  110.70000
   57    62    65    58.35000  112.70000
   59    64    66    60.00000  109.50000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   64    66    71    50.00000  109.50000
   64    66    73    50.00000  109.50000
   64    66    75    90.00000  108.74100
   66    71    72    37.50000  110.70000
   66    71    77    58.35000  112.70000
   66    73    74    37.50000  110.70000
   66    73    79    58.35000  112.70000
   66    73    81    50.00000  109.50000
   66    75    76    80.00000  120.40000
   66    75    83    81.00000  111.40000
   71    57    59    58.35000  112.70000
   71    77    78    37.50000  110.70000
   71    77    84    63.00000  111.10000
   71    77    86    50.00000  109.50000
   77    71    72    37.50000  110.70000
   77    84    85    80.00000  120.40000
   77    84    58    81.00000  111.40000
   77    86    93    83.00000  116.90000
   84    77    78    35.00000  109.50000
   58    55    56    35.00000  109.50000
   58    55    57    50.00000  109.50000
   58    84    85    83.00000  123.40000
   86    77    78    35.00000  109.50000
   86    77    84    90.00000  108.74100
   86    93    94    83.00000  123.40000
   86    93    95    90.00000  111.29400
   93    95    96    40.00000  117.72500
   93    95    97    65.00000  118.96000
   95    93    94    80.00000  123.72100
   95    97    98    70.00000  124.00000
   95    97   102    70.00000  124.00000
   97    95    96    35.00000  120.00000
   97    98    99    35.00000  109.50000
   97    98   100    35.00000  109.50000
   97    98   101    35.00000  109.50000
   97   102   103    35.00000  109.50000
   97   102   104    35.00000  109.50000
   97   102   105    35.00000  109.50000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  102    97    98    65.00000  117.92700
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   73    66    71    58.35000  112.70000
   73    79    80    37.50000  110.70000
   73    79    62    58.35000  112.70000
   73    79    87    50.00000  109.50000
   73    81    82    55.00000  108.50000
   79    73    74    37.50000  110.70000
   79    62    63    37.50000  110.70000
   79    62    65    58.35000  112.70000
   79    87    88    55.00000  108.50000
   62    57    59    58.35000  112.70000
   62    57    71    58.35000  112.70000
   62    79    80    37.50000  110.70000
   62    65    67    58.35000  112.70000
   65    33    34    37.50000  110.70000
   65    33    38    58.35000  112.70000
   65    46    47    37.50000  110.70000
   65    46    52    58.35000  112.70000
   65    62    63    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    70    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   87    79    80    35.00000  109.50000
   87    79    62    50.00000  109.50000
   81    73    74    35.00000  109.50000
   81    73    79    50.00000  109.50000
   75    66    71    63.00000  111.10000
   75    66    73    63.00000  111.10000
   75    83    89    83.00000  116.90000
   83    75    76    83.00000  123.40000
   83    89    90    35.00000  109.50000
   83    89    91    35.00000  109.50000
   83    89    92    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  109.61100
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
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
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   74    73    79    80   0.15000  1.0 3.0
   74    73    79    62   0.15000  1.0 3.0
   74    73    79    87   0.23400  1.0 3.0
   74    73    81    82   0.19450  1.0 3.0
   79    73    81    82  -0.11600  1.0 1.0
   79    73    81    82  -0.09450 -1.0 2.0
   79    73    81    82   0.21250  1.0 3.0
   79    62    65    33   0.56750  1.0 1.0
   79    62    65    33  -0.07550 -1.0 2.0
   79    62    65    33   0.20000  1.0 3.0
   79    62    65    46   0.56750  1.0 1.0
   79    62    65    46  -0.07550 -1.0 2.0
   79    62    65    46   0.20000  1.0 3.0
   79    62    65    67   0.56750  1.0 1.0
   79    62    65    67  -0.07550 -1.0 2.0
   79    62    65    67   0.20000  1.0 3.0
   80    79    62    57   0.15000  1.0 3.0
   80    79    62    63   0.15000  1.0 3.0
   80    79    62    65   0.15000  1.0 3.0
   80    79    87    88   0.19450  1.0 3.0
   62    57    59    60   0.15000  1.0 3.0
   62    57    59    61   0.15000  1.0 3.0
   62    57    59    64   0.62750  1.0 1.0
   62    57    59    64  -0.30950 -1.0 2.0
   62    57    59    64   0.27300  1.0 3.0
   62    57   -71    66   0.56750  1.0 1.0
   62    57   -71    66  -0.07550 -1.0 2.0
   62    57   -71    66   0.20000  1.0 3.0
   62    57    71    72   0.15000  1.0 3.0
   62    57    71    77   0.56750  1.0 1.0
   62    57    71    77  -0.07550 -1.0 2.0
   62    57    71    77   0.20000  1.0 3.0
   62    79    87    88  -0.11600  1.0 1.0
   62    79    87    88  -0.09450 -1.0 2.0
   62    79    87    88   0.21250  1.0 3.0
   62    65    67    68   0.15000  1.0 3.0
   62    65    67    69   0.15000  1.0 3.0
   62    65    67    70   0.15000  1.0 3.0
   63    62    65    33   0.15000  1.0 3.0
   63    62    65    46   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   65    33    38    39   0.15000  1.0 3.0
   65    33   -38    40  -0.95700  1.0 1.0
   65    33   -38    40  -0.18200 -1.0 2.0
   65    33   -38    40   0.29450  1.0 3.0
   65    33    38    42   0.86500  1.0 1.0
   65    33    38    42  -0.17500 -1.0 2.0
   65    33    38    42   0.20800  1.0 3.0
   65    46    52    53   0.15000  1.0 3.0
   65    46    52    54   0.15000  1.0 3.0
   65    46   -52    55   0.56750  1.0 1.0
   65    46   -52    55  -0.07550 -1.0 2.0
   65    46   -52    55   0.20000  1.0 3.0
   87    79    62    57   0.86500  1.0 1.0
   87    79    62    57  -0.17500 -1.0 2.0
   87    79    62    57   0.20800  1.0 3.0
   87    79    62    63   0.23400  1.0 3.0
   87    79    62    65   0.86500  1.0 1.0
   87    79    62    65  -0.17500 -1.0 2.0
   87    79    62    65   0.20800  1.0 3.0
   81    73    79    80   0.23400  1.0 3.0
   81    73    79    62   0.86500  1.0 1.0
   81    73    79    62  -0.17500 -1.0 2.0
   81    73    79    62   0.20800  1.0 3.0
   81    73    79    87   3.75450  1.0 1.0
   75    66    71    57  -0.95700  1.0 1.0
   75    66    71    57  -0.18200 -1.0 2.0
   75    66    71    57   0.29450  1.0 3.0
   75    66    71    72  -0.11250  1.0 3.0
   75    66    71    77  -0.95700  1.0 1.0
   75    66    71    77  -0.18200 -1.0 2.0
   75    66    71    77   0.29450  1.0 3.0
   75    66    73    74  -0.11250  1.0 3.0
   75    66    73    79  -0.95700  1.0 1.0
   75    66    73    79  -0.18200 -1.0 2.0
   75    66    73    79   0.29450  1.0 3.0
   75    66    73    81  -0.09450  1.0 1.0
   75    66    73    81  -1.12950 -1.0 2.0
   75    66    73    81   0.54000  1.0 3.0
   75    83    89    90   0.08050  1.0 3.0
   75    83    89    91   0.08050  1.0 3.0
   75    83    89    92   0.08050  1.0 3.0
   76    75    83    89   3.00000 -1.0 2.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    52   0.56750  1.0 1.0
   48    44    46    52  -0.07550 -1.0 2.0
   48    44    46    52   0.20000  1.0 3.0
   48    44    46    65   0.56750  1.0 1.0
   48    44    46    65  -0.07550 -1.0 2.0
   48    44    46    65   0.20000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.55300  1.0 1.0
   42    38    40    44   1.25850 -1.0 2.0
   42    38    40    44  -0.23600  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
   38    44    40    41  10.50000 -1.0 2.0
   77    58    84    85  10.50000 -1.0 2.0
   86    95    93    94  10.50000 -1.0 2.0
   93    96    95    97  15.00000 -1.0 2.0
   98   102    97    95  15.00000 -1.0 2.0
   66    83    75    76  10.50000 -1.0 2.0
END
