* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    206    334     620
    1     0 S   NP   _N1_     1    28.88791    94.36125   -24.59072
    2     1 S   H    _HN1     2     1.02785   110.61500   -86.80624
    3     1 S   H    _H1_     3     1.02950    81.69317    19.75717
    4     1 S   H    _H2_     4     1.02829    26.34007  -175.64324
    5     1 S   CT   _CA1     5     1.50108   128.15349   129.23828
    6     5 S   HC   _HA1     6     1.09573   105.20780    82.15708
    7     5 S   CO3  _C1_     7     1.53792   112.42938   -38.09788
    8     7 S   O2Z  _O11     8     1.26372   115.00903   -43.42728
    9     7 S   O2Z  _O12     9     1.26239   114.94179   135.70730
   10     5 S   CT   _CB1    10     1.53079   107.42367  -159.86476
   11    10 S   HC   HB11    11     1.09832   109.39174   -49.81657
   12    10 S   HC   HB12    12     1.09814   110.44330    66.79254
   13    10 S   CT   _CG1    13     1.52987   112.59345  -170.79796
   14    13 S   HC   HG11    14     1.09585   110.61229   -65.02981
   15    13 S   HC   HG12    15     1.09668   109.81334    54.20289
   16    13 S   C    _CD1    16     1.51796   112.23721   174.66087
   17    16 S   O    _OE1    17     1.22731   123.29371     5.79955
   18    16 S   N    _N2_    18     1.38646   111.65740  -174.32912
   19    18 S   H    _HN2    19     1.01583   118.96770     1.77211
   20    18 S   CT1  _CA2    20     1.46212   123.38988   177.93114
   21    20 S   HC   _HA2    21     1.09742   109.36264     1.66048
   22    20 S   C    _C2_    22     1.53561   108.68636  -113.79641
   23    22 S   O    _O2_    23     1.23060   122.27461  -148.78580
   24    20 S   CT   _CB2    32     1.53533   111.53430   123.67330
   25    24 S   HC   HB21    33     1.09335   109.38113    56.66009
   26    24 S   HC   HB22    34     1.09399   109.46936   175.52928
   27    22 S   N    _N3_    24     1.38329   113.71319    38.73552
   28    27 S   H    _HN3    25     1.01589   119.57376    -3.45156
   29    24 S   S    _SG2    35     1.82995   110.93370   -65.10730
   30    27 S   CT   _CA3    26     1.45286   123.20280   177.06295
   31    30 S   HC   HA31    27     1.09550   107.52224   -64.22051
   32    30 S   HC   HA32    28     1.09557   107.96690    52.21002
   33    29 S   CT   _C24    36     1.87908   103.16832   171.91070
   34    30 S   CO3  _C3_    29     1.52956   114.09312   174.20022
   35    34 S   O2Z  _O31    30     1.26375   116.07264    -0.57471
   36    34 S   O2Z  _O32    31     1.26430   114.41214   179.48149
   37    33 S   CT   _C13    37     1.55309   109.53675    49.50924
   38    37 S   HC   _H46    38     1.09469   112.40633    32.18822
   39    33 S   CT   _C28   102     1.55128   106.24086   -70.73288
   40    39 S   HC   _H63   103     1.09534   112.12740   -61.05758
   41    39 S   HC   _H64   104     1.09684   110.42142   179.63792
   42    39 S   HC   _H65   105     1.09384   113.36998    60.31433
   43    37 S   CO4  _C4_    39     1.51429   111.15290   151.02150
   44    43 S   O    _O27    40     1.23195   122.10554   125.43767
   45    37 S   OH   _O35   100     1.42249   111.82222   -87.64663
   46    45 S   HO   _H69   101     0.97313   107.61652  -179.39607
   47    43 S   CT   _C10    41     1.51297   117.21968   -59.29356
   48    47 S   HC   _H40    42     1.09722   105.00514   150.58591
   49    47 S   HC   _H41    43     1.09594   108.04794   -95.31183
   50    47 S   CT   _C23    44     1.55956   114.67624    29.31061
   51    33 S   CT   _C15    45     1.59540   110.97729   173.20520
   52    51 S   HC   _H48    46     1.10212   104.13450   151.75707
   53    50 S   CT   _C27    96     1.54527   108.23056   -93.44481
   54    53 S   HC   _H60    97     1.08983   112.79236  -179.89165
   55    53 S   HC   _H61    98     1.09070   112.44452    60.21215
   56    53 S   HC   _H62    99     1.09125   112.56957   -56.89552
   57    51 S   CT   _C11    47     1.54954   114.64258    37.03904
   58    57 S   HC   _H42    48     1.09462   111.39927   -72.81505
   59    57 S   HC   _H43    49     1.09615   109.38810    45.53346
   60    57 S   CT   _C18    50     1.52563   112.17548   165.09139
   61    60 S   HC   _H51    51     1.09761   108.01713  -180.00000
   62    60 S   CT   _C22    52     1.52286   112.96784    57.29403
   63    60 S   OS   _O33    64     1.45674   106.73606   -66.77076
   64    62 S   CT   _C12    53     1.53148   115.46918    81.74311
   65    64 S   HC   _H44    54     1.08796   115.73624   -89.29021
   66    64 S   HC   _H45    55     1.09633   112.10794    34.38702
   67    50 S   CT   _C17    83     1.60437   107.19782   143.56367
   68    67 S   HC   _H50    84     1.09871   102.74255   -52.39237
   69    64 S   OS   _O34    56     1.44821   105.55792   150.55261
   70    69 S   CT   _C21    57     1.46340   108.35822   -10.69400
   71    62 S   CT   _C16    58     1.53322   106.78689  -171.38518
   72    71 S   HC   _H49    59     1.10482   108.85267   -57.91398
   73    70 S   CT   _C20    79     1.54395   106.65982    98.69448
   74    73 S   HC   _H53    80     1.09761   108.62921    67.63304
   75    70 S   CO4  _C9_    89     1.52653   104.34938  -140.01998
   76    75 S   O    _O30    90     1.22593   124.19860    16.35555
   77    71 S   CT   _C14    60     1.51767   112.88648    59.16298
   78    77 S   HC   _H47    61     1.09154   112.85383    65.91776
   79    73 S   CT   _C19    81     1.54660   111.61052   -53.11410
   80    79 S   HC   _H52    82     1.09602   109.37256  -160.92040
   81    73 S   OH   _O37    87     1.42396   111.00605  -174.78184
   82    81 S   HO   _H71    88     0.97264   107.89155  -173.41703
   83    75 S   OS   _O39    91     1.36267   111.10507  -164.59989
   84    77 S   CO4  _C5_    62     1.52167   110.29463   -53.36210
   85    84 S   O    _O28    63     1.22785   122.85601  -146.33639
   86    77 S   OS   _O38    65     1.43803   108.55297  -171.42916
   87    79 S   OH   _O36    85     1.42229   108.15587    83.34997
   88    87 S   HO   _H70    86     0.97235   108.08915    60.53560
   89    83 S   CT   _C29    92     1.43067   115.52514   179.40884
   90    89 S   HC   _H66    93     1.09327   108.08639   180.00000
   91    89 S   HC   _H67    94     1.09417   110.32014    61.28565
   92    89 S   HC   _H68    95     1.09414   110.26712   -61.35250
   93    86 S   CO4  _C8_    66     1.36200   117.49980  -149.39486
   94    93 S   O    _O29    67     1.21872   126.71918     1.27901
   95    93 S   CM   _C6_    68     1.48331   107.02216  -179.21640
   96    95 S   HC   _H39    69     1.08782   114.91360   -13.00364
   97    95 S   CM   _C7_    70     1.34558   126.06601   168.20295
   98    97 S   CT   _C25    71     1.50760   119.67687   177.36790
   99    98 S   HC   _H54    72     1.09498   110.31657   118.36545
  100    98 S   HC   _H55    73     1.09522   112.47358    -1.81962
  101    98 S   HC   _H56    74     1.09506   110.15904  -121.79594
  102    97 S   CT   _C26    75     1.50316   126.40895    -3.09181
  103   102 S   HC   _H57    76     1.09456   110.12693   104.77948
  104   102 S   HC   _H58    77     1.09117   113.65982   -17.31473
  105   102 S   HC   _H59    78     1.09588   110.10667  -136.06477
  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  13   5   4   3
  20   2   1   1  16   7   9   3   2   1  10   5   3   1  14   5
   4  19  15   6   8   3   2   1  10   5   4  16   6  19   8  12
   5   4  13   5  11  17  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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    50    51    52    57    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    50    51    52    57    58    59    60    67    53    45    46    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    48    49    50    51    52    57    45    46    39    40    41    42  
   43    44    47    51    45    46    39  
   40    41    42    43    45    50    51    52    57  
   41    42    51  
   42    51  
   51  
   44    47    48    49    50    51    67    53    45    46  
   47    48    49    50    45  
   46    47    51  
    0  
   48    49    50    51    52    57    62    79    67    68    53    54    55    56  
   49    50    51    67    53  
   50    51    67    53  
   51    52    57    58    59    60    62    64    71    73    79    80    67    68    87    53    54    55    56  
   52    57    58    59    60    61    62    63    79    67    68    53    54    55    56  
   57    58    59    60    67    53  
   54    55    56    57    62    67    68    79  
   55    56    67  
   56    67  
   67  
   58    59    60    61    62    64    71    84    63    67  
   59    60    61    62    63  
   60    61    62    63  
   61    62    64    65    66    69    70    71    72    77    84    85    63    79    67    68  
   62    64    71    84    63    67  
   64    65    66    69    70    71    72    77    78    84    63    86    73    79    80    67    68    87    75  
   86    67    64    71    77    78    84    85  
   65    66    69    70    71    72    77    73    79    67    68    75  
   66    69    70    71    67  
   69    70    71    67  
   68    87    88    81    69    70    71    72    73    74    77    79    80  
   87    71    73    79    80  
   70    71    72    77    73    74    79    81    75    76    83  
   71    72    77    78    84    86    73    74    79    80    87    81    82    75    76    83    89  
   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   0.167500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   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    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   268.000  1.529
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   320.000  1.410
   43    44   570.000  1.229
   43    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    67   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    63   320.000  1.410
   62    64   268.000  1.529
   62    71   268.000  1.529
   62    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   320.000  1.410
   70    71   268.000  1.529
   70    73   268.000  1.529
   70    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    63   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    67   268.000  1.529
   79    87   320.000  1.410
   67    68   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
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   45    46   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    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  111.63000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    50.00000  109.50000
   33    51    50    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    47    70.00000  116.00000
   37    45    46    55.00000  108.50000
   43    37    38    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    63.00000  111.10000
   47    43    44    80.00000  120.40000
   47    50    51    58.35000  112.70000
   47    50    67    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    67    62    58.35000  112.70000
   50    67    79    58.35000  112.70000
   50    67    68    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    33    37    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    63    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    64    58.35000  112.70000
   60    62    71    58.35000  112.70000
   60    62    67    58.35000  112.70000
   60    63    84    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    69    50.00000  109.50000
   62    71    70    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    77    58.35000  112.70000
   62    67    79    58.35000  112.70000
   62    67    68    37.50000  110.70000
   64    69    70    60.00000  109.50000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   69    70    71    50.00000  109.50000
   69    70    73    50.00000  109.50000
   69    70    75    90.00000  108.74100
   70    71    72    37.50000  110.70000
   70    71    77    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    79    58.35000  112.70000
   70    73    81    50.00000  109.50000
   70    75    76    80.00000  120.40000
   70    75    83    81.00000  111.40000
   71    62    64    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    63    81.00000  111.40000
   77    86    93    83.00000  116.90000
   84    77    78    35.00000  109.50000
   63    60    61    35.00000  109.50000
   63    60    62    50.00000  109.50000
   63    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    70    71    58.35000  112.70000
   73    79    80    37.50000  110.70000
   73    79    67    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    67    68    37.50000  110.70000
   79    87    88    55.00000  108.50000
   67    50    51    58.35000  112.70000
   67    62    64    58.35000  112.70000
   67    62    71    58.35000  112.70000
   67    79    80    37.50000  110.70000
   87    79    80    35.00000  109.50000
   87    79    67    50.00000  109.50000
   81    73    74    35.00000  109.50000
   81    73    79    50.00000  109.50000
   75    70    71    63.00000  111.10000
   75    70    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
   53    50    51    58.35000  112.70000
   53    50    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    90.00000  109.61100
   39    33    37    58.35000  112.70000
   39    33    51    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   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    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
   80    79    67    50   0.15000  1.0 3.0
   80    79    67    62   0.15000  1.0 3.0
   80    79    67    68   0.15000  1.0 3.0
   80    79    87    88   0.19450  1.0 3.0
   67    50    51    33   0.56750  1.0 1.0
   67    50    51    33  -0.07550 -1.0 2.0
   67    50    51    33   0.20000  1.0 3.0
   67    50    51    52   0.15000  1.0 3.0
   67    50   -51    57   0.56750  1.0 1.0
   67    50   -51    57  -0.07550 -1.0 2.0
   67    50   -51    57   0.20000  1.0 3.0
   67    50    53    54   0.15000  1.0 3.0
   67    50    53    55   0.15000  1.0 3.0
   67    50    53    56   0.15000  1.0 3.0
   67    62    64    65   0.15000  1.0 3.0
   67    62    64    66   0.15000  1.0 3.0
   67    62    64    69   0.62750  1.0 1.0
   67    62    64    69  -0.30950 -1.0 2.0
   67    62    64    69   0.27300  1.0 3.0
   67    62   -71    70   0.56750  1.0 1.0
   67    62   -71    70  -0.07550 -1.0 2.0
   67    62   -71    70   0.20000  1.0 3.0
   67    62    71    72   0.15000  1.0 3.0
   67    62    71    77   0.56750  1.0 1.0
   67    62    71    77  -0.07550 -1.0 2.0
   67    62    71    77   0.20000  1.0 3.0
   67    79    87    88  -0.11600  1.0 1.0
   67    79    87    88  -0.09450 -1.0 2.0
   67    79    87    88   0.21250  1.0 3.0
   87    79    67    50   0.86500  1.0 1.0
   87    79    67    50  -0.17500 -1.0 2.0
   87    79    67    50   0.20800  1.0 3.0
   87    79    67    62   0.86500  1.0 1.0
   87    79    67    62  -0.17500 -1.0 2.0
   87    79    67    62   0.20800  1.0 3.0
   87    79    67    68   0.23400  1.0 3.0
   81    73    79    80   0.23400  1.0 3.0
   81    73    79    67   0.86500  1.0 1.0
   81    73    79    67  -0.17500 -1.0 2.0
   81    73    79    67   0.20800  1.0 3.0
   81    73    79    87   3.75450  1.0 1.0
   75    70    71    62  -0.95700  1.0 1.0
   75    70    71    62  -0.18200 -1.0 2.0
   75    70    71    62   0.29450  1.0 3.0
   75    70    71    72  -0.11250  1.0 3.0
   75    70    71    77  -0.95700  1.0 1.0
   75    70    71    77  -0.18200 -1.0 2.0
   75    70    71    77   0.29450  1.0 3.0
   75    70    73    74  -0.11250  1.0 3.0
   75    70    73    79  -0.95700  1.0 1.0
   75    70    73    79  -0.18200 -1.0 2.0
   75    70    73    79   0.29450  1.0 3.0
   75    70    73    81  -0.09450  1.0 1.0
   75    70    73    81  -1.12950 -1.0 2.0
   75    70    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
   53    50    51    33   0.56750  1.0 1.0
   53    50    51    33  -0.07550 -1.0 2.0
   53    50    51    33   0.20000  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    67    62   0.56750  1.0 1.0
   53    50    67    62  -0.07550 -1.0 2.0
   53    50    67    62   0.20000  1.0 3.0
   53    50    67    79   0.56750  1.0 1.0
   53    50    67    79  -0.07550 -1.0 2.0
   53    50    67    79   0.20000  1.0 3.0
   53    50    67    68   0.15000  1.0 3.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    47   0.55300  1.0 1.0
   45    37    43    47   1.25850 -1.0 2.0
   45    37    43    47  -0.23600  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.86500  1.0 1.0
   39    33    37    45  -0.17500 -1.0 2.0
   39    33    37    45   0.20800  1.0 3.0
   39    33    51    50   0.56750  1.0 1.0
   39    33    51    50  -0.07550 -1.0 2.0
   39    33    51    50   0.20000  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33    51    57   0.56750  1.0 1.0
   39    33    51    57  -0.07550 -1.0 2.0
   39    33    51    57   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    47    43    44  10.50000 -1.0 2.0
   77    63    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
   70    83    75    76  10.50000 -1.0 2.0
END
