* LIGAND DATABASE FILE (OPLS2005)
*
001     103   106    208    344     638
    1     0 S   NP   _N1_     1    28.55243    94.46056   -24.46328
    2     1 S   H    _HN1     2     1.02788   109.88367   -94.56052
    3     1 S   H    _H1_     3     1.02950    80.94830    11.79879
    4     1 S   H    _H2_     4     1.02827    27.32847   174.77329
    5     1 S   CT   _CA1     5     1.50113   129.33044   120.81999
    6     5 S   HC   _HA1     6     1.09574   105.18965    82.63292
    7     5 S   CO3  _C1_     7     1.53786   112.46462   -37.59999
    8     7 S   O2Z  _O11     8     1.26373   115.00907   -42.60939
    9     7 S   O2Z  _O12     9     1.26240   114.94605   136.51416
   10     5 S   CT   _CB1    10     1.53077   107.41596  -159.38941
   11    10 S   HC   HB11    11     1.09834   109.36485   -49.68013
   12    10 S   HC   HB12    12     1.09812   110.45324    66.92517
   13    10 S   CT   _CG1    13     1.52994   112.61082  -170.65063
   14    13 S   HC   HG11    14     1.09580   110.64941   -65.93292
   15    13 S   HC   HG12    15     1.09670   109.76605    53.29940
   16    13 S   C    _CD1    16     1.51805   112.19302   173.75603
   17    16 S   O    _OE1    17     1.22735   123.27157     7.86477
   18    16 S   N    _N2_    18     1.38653   111.69543  -172.20281
   19    18 S   H    _HN2    19     1.01581   118.94150     1.68051
   20    18 S   CT1  _CA2    20     1.46209   123.40281   177.25206
   21    20 S   HC   _HA2    21     1.09737   109.34355     4.20207
   22    20 S   C    _C2_    22     1.53600   108.71102  -111.28014
   23    22 S   O    _O2_    23     1.23067   122.25647  -148.45497
   24    20 S   CT   _CB2    32     1.53360   111.57237   126.21912
   25    24 S   HC   HB21    33     1.09493   109.85625    56.11291
   26    24 S   HC   HB22    34     1.09515   110.14611   175.13454
   27    22 S   N    _N3_    24     1.38324   113.76957    39.03831
   28    27 S   H    _HN3    25     1.01571   119.59838    -3.31653
   29    24 S   S    _SG2    35     1.82796   111.50919   -65.05221
   30    27 S   CT   _CA3    26     1.45286   123.23792   177.15972
   31    30 S   HC   HA31    27     1.09548   107.51276   -64.65880
   32    30 S   HC   HA32    28     1.09556   107.98808    51.78727
   33    29 S   CT   _C8_    36     1.82305    99.72709  -174.12317
   34    33 S   HC   _H19    37     1.09530   107.08528   166.19238
   35    33 S   HC   _H20    38     1.09505   109.26674    50.35401
   36    30 S   CO3  _C3_    29     1.52967   114.06477   173.78092
   37    36 S   O2Z  _O31    30     1.26379   116.06955    -0.69182
   38    36 S   O2Z  _O32    31     1.26427   114.41516   179.37037
   39    33 S   CT   _C7_    39     1.52860   112.14936   -73.44152
   40    39 S   HC   _H17    40     1.09375   109.79522    61.84974
   41    39 S   HC   _H18    41     1.09590   109.58133   -56.13218
   42    39 S   CT   _C6_    42     1.53454   110.65477  -177.27114
   43    42 S   HC   _H15    43     1.09832   108.78821    56.62684
   44    42 S   HC   _H16    44     1.09665   109.05025   -57.88687
   45    42 S   CT   _C5_    45     1.55187   115.24981   178.53420
   46    45 S   HC   _H3_    46     1.09791   105.47101   179.80021
   47    45 S   CT   _C9_    47     1.55334   113.02109    61.56433
   48    47 S   HC   _H4_    48     1.09839   107.54716   -62.54018
   49    45 S   CT   _C4_   100     1.53157   109.79605   -65.30318
   50    49 S   HC   _H12   101     1.09446   111.74092    79.11815
   51    49 S   HC   _H13   102     1.09253   111.06772  -159.70237
   52    49 S   HC   _H14   103     1.09558   111.09616   -41.58365
   53    47 S   CT   _C10    49     1.55565   112.03763    54.53694
   54    53 S   HC   _H21    50     1.09599   111.96277    30.93794
   55    53 S   HC   _H22    51     1.09578   110.38505   -88.67452
   56    53 S   CT   _C11    52     1.53335   107.09807   150.75220
   57    56 S   HC   _H23    53     1.09484   111.18481   128.67046
   58    56 S   HC   _H24    54     1.09578   110.44722  -112.08128
   59    56 S   CT   _C12    55     1.52268   104.13762     7.82022
   60    59 S   HC   _H5_    56     1.10191   105.81117    79.15735
   61    59 S   CT   _C17    57     1.53808   117.68309  -161.52156
   62    61 S   HC   _H8_    58     1.09482   108.45023    63.32561
   63    61 S   CT   _C16    59     1.56435   108.56409  -178.23497
   64    63 S   HC   _H7_    60     1.10109   106.73970    62.74444
   65    61 S   CT   _C18    90     1.54255   112.36182   -54.13844
   66    65 S   HC   _H9_    91     1.09596   109.65607    64.33094
   67    63 S   CT   _C15    61     1.55216   111.55221   -52.17456
   68    67 S   HC   _H25    62     1.09594   108.88606   171.31753
   69    67 S   HC   _H26    63     1.09389   110.26584   -71.90934
   70    63 S   CT   _C21    73     1.57724   111.93515   178.70987
   71    65 S   OH   _O34    92     1.42759   109.82262   -53.05407
   72    71 S   HO   _H39    93     0.97226   107.63550   178.35420
   73    67 S   CT   _C14    64     1.54352   113.95034    50.82454
   74    73 S   HC   _H6_    65     1.09330   108.13961  -175.31049
   75    70 S   CT   _C22    74     1.55556   110.62393  -173.11097
   76    75 S   HC   _H29    75     1.09794   109.44212    49.70899
   77    75 S   HC   _H30    76     1.09628   110.59094   -67.18478
   78    70 S   CT   _C26    96     1.55105   110.80578    66.73630
   79    78 S   HC   _H36    97     1.09257   112.77373   -53.89222
   80    78 S   HC   _H37    98     1.09342   112.45922  -174.24194
   81    78 S   HC   _H38    99     1.09503   111.24558    66.72076
   82    47 S   CT   _C13    66     1.56550   119.13098   174.81103
   83    73 S   OH   _O35    71     1.42750   108.78710    69.13326
   84    83 S   HO   _H40    72     0.97223   107.69292    58.10551
   85    75 S   CT   _C23    77     1.53425   113.62943   171.36785
   86    85 S   HC   _H31    78     1.09572   109.72342    69.09386
   87    85 S   HC   _H32    79     1.09687   108.19287  -174.88894
   88    82 S   CT   _C27    67     1.55045   110.56427   -46.73975
   89    88 S   HC   _H41    68     1.09524   110.74524    72.41465
   90    88 S   HC   _H42    69     1.09435   112.55681   -47.38397
   91    88 S   HC   _H43    70     1.09289   112.88251  -168.27807
   92    85 S   CT   _C24    80     1.52707   112.78835   -53.26045
   93    92 S   HC   _H11    81     1.09560   109.90978   172.69669
   94    92 S   CT   _C25    82     1.52920   112.35966    50.64768
   95    94 S   HC   _H33    83     1.09759   108.94599  -172.00898
   96    94 S   HC   _H34    84     1.09544   109.98635    71.28853
   97    92 S   OH   _O33    94     1.42754   109.45221   -69.97666
   98    97 S   HO   _H35    95     0.97234   107.57622   -58.76168
   99    70 S   CT   _C20    85     1.56195   107.53943   -55.93838
  100    99 S   HC   _H10    86     1.10060   107.25040   -58.46265
  101    99 S   CT   _C19    87     1.53584   112.25345    58.21445
  102   101 S   HC   _H27    88     1.09572   110.63062    64.31921
  103   101 S   HC   _H28    89     1.09738   108.84538  -178.60984
  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   7   5   4   3
   9   5   4   2   1   1   9   5   4  12   5   4  15   8  23   9
   5   2   1   1  11   6   5  11   5   4  19   7  20   9  24   9
  12   6  12   6   5  20   5   1   8   4  16   7   6   8   3   2
   1   6   2   1  10   5   4   3   2   1   1   9   6   9   5   4
   2   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    49  
   41    42    43    44    45  
   42    43    44    45  
   43    44    45    46    47    48    53    82    49    50    51    52  
   44    45    46    47    49  
   45    46    47    49  
   46    47    48    53    54    55    56    59    73    82    88    49    50    51    52  
   47    48    53    82    49    50    51    52  
   48    53    54    55    56    57    58    59    60    61    67    73    74    82    88    89    90    91    83    49    50    51    52  
   53    54    55    56    59    73    82    88    49  
   50    51    52    53    82  
   51    52  
   52  
    0  
   54    55    56    57    58    59    60    61    73    82    88  
   55    56    57    58    59    82  
   56    57    58    59    82  
   57    58    59    60    61    62    63    73    82    88    65  
   58    59    60    61    82  
   59    60    61    82  
   60    61    62    63    64    67    73    74    82    88    89    90    91    83    70   101    65    66    71  
   61    62    63    73    82    88    65  
   62    63    64    67    68    69    73    82    88    70    75    99   101   102   103    65    66    71    72    78  
   63    64    67    82    70   101    65    66    71  
   64    67    68    69    73    74    82    83    70    75    76    77    85    94    99   100   101    65    66    71    78    79    80    81  
   67    68    69    73    70    75    99    65    78  
   66    71    72    67    70    82    94    99   100   101   102   103  
   71    72    99   101   102   103  
   68    69    73    74    82    88    83    84    70    75    99    78  
   69    73    74    82    83    70  
   73    74    82    83    70  
   75    76    77    85    86    87    92    94    95    96    99   100   101   102   103    78    79    80    81    73  
   72    99   101   102   103  
  101  
   74    82    88    89    90    91    83    84  
   82    88    83    84  
   76    77    85    86    87    92    93    94    99   100   101    97    78    79    80    81  
   77    85    86    87    92    99    78  
   85    86    87    92    99    78  
   79    80    81    85    94    99   100   101  
   80    81    99  
   81    99  
   99  
   88    89    90    91    83    84  
   84    88  
    0  
   86    87    92    93    94    95    96    99    97    98  
   87    92    93    94    97  
   92    93    94    97  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95    96    99   100   101    97    98  
   94    95    96    99    97    98  
   95    96    99   100   101   102   103    97    98  
   96    99   100   101    97  
   99   100   101    97  
   98    99  
    0  
  100   101   102   103  
  101   102   103  
  102   103  
  103  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    82   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    82   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   268.000  1.529
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    82   268.000  1.529
   73    83   320.000  1.410
   82    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   83    84   553.000  0.945
   70    75   268.000  1.529
   70    99   268.000  1.529
   70    78   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    92   268.000  1.529
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    97   320.000  1.410
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    99   268.000  1.529
   99   100   340.000  1.090
   99   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101    65   268.000  1.529
   65    66   340.000  1.090
   65    71   320.000  1.410
   71    72   553.000  0.945
   97    98   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    37.50000  110.70000
   42    39    41    37.50000  110.70000
   42    45    46    37.50000  110.70000
   42    45    47    58.35000  112.70000
   42    45    49    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    37.50000  110.70000
   45    42    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    53    58.35000  112.70000
   45    47    82    58.35000  112.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    52    37.50000  110.70000
   47    45    46    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    56    58.35000  112.70000
   47    82    59    58.35000  112.70000
   47    82    73    58.35000  112.70000
   47    82    88    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    82    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    63    58.35000  112.70000
   59    61    65    58.35000  112.70000
   59    82    73    58.35000  112.70000
   59    82    88    58.35000  112.70000
   61    59    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    67    58.35000  112.70000
   61    63    70    58.35000  112.70000
   61    65   101    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    71    50.00000  109.50000
   63    61    62    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    73    58.35000  112.70000
   63    70    75    58.35000  112.70000
   63    70    99    58.35000  112.70000
   63    70    78    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    82    58.35000  112.70000
   67    73    83    50.00000  109.50000
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    82    88    58.35000  112.70000
   73    83    84    55.00000  108.50000
   82    47    48    37.50000  110.70000
   82    47    53    58.35000  112.70000
   82    59    60    37.50000  110.70000
   82    59    61    58.35000  112.70000
   82    73    74    37.50000  110.70000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    91    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   83    73    74    35.00000  109.50000
   83    73    82    50.00000  109.50000
   70    63    64    37.50000  110.70000
   70    63    67    58.35000  112.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    85    58.35000  112.70000
   70    99    94    58.35000  112.70000
   70    99   100    37.50000  110.70000
   70    99   101    58.35000  112.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    81    37.50000  110.70000
   75    85    86    37.50000  110.70000
   75    85    87    37.50000  110.70000
   75    85    92    58.35000  112.70000
   77    75    76    33.00000  107.80000
   85    75    76    37.50000  110.70000
   85    75    77    37.50000  110.70000
   85    92    93    37.50000  110.70000
   85    92    94    58.35000  112.70000
   85    92    97    50.00000  109.50000
   87    85    86    33.00000  107.80000
   92    85    86    37.50000  110.70000
   92    85    87    37.50000  110.70000
   92    94    95    37.50000  110.70000
   92    94    96    37.50000  110.70000
   92    94    99    58.35000  112.70000
   92    97    98    55.00000  108.50000
   94    92    93    37.50000  110.70000
   94    99   100    37.50000  110.70000
   94    99   101    58.35000  112.70000
   96    94    95    33.00000  107.80000
   99    70    75    58.35000  112.70000
   99    94    95    37.50000  110.70000
   99    94    96    37.50000  110.70000
   99   101   102    37.50000  110.70000
   99   101   103    37.50000  110.70000
   99   101    65    58.35000  112.70000
  101    99   100    37.50000  110.70000
  101    65    66    37.50000  110.70000
  101    65    71    50.00000  109.50000
  103   101   102    33.00000  107.80000
   65    61    62    37.50000  110.70000
   65    61    63    58.35000  112.70000
   65   101   102    37.50000  110.70000
   65   101   103    37.50000  110.70000
   65    71    72    55.00000  108.50000
   71    65    66    35.00000  109.50000
   97    92    93    35.00000  109.50000
   97    92    94    50.00000  109.50000
   78    70    75    58.35000  112.70000
   78    70    99    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   49    45    46    37.50000  110.70000
   49    45    47    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
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   93    92    94    95   0.15000  1.0 3.0
   93    92    94    96   0.15000  1.0 3.0
   93    92    94    99   0.15000  1.0 3.0
   93    92    97    98   0.19450  1.0 3.0
   94    92    97    98  -0.11600  1.0 1.0
   94    92    97    98  -0.09450 -1.0 2.0
   94    92    97    98   0.21250  1.0 3.0
   94    99   101   102   0.15000  1.0 3.0
   94    99   101   103   0.15000  1.0 3.0
   94    99   101    65   0.56750  1.0 1.0
   94    99   101    65  -0.07550 -1.0 2.0
   94    99   101    65   0.20000  1.0 3.0
   95    94    99    70   0.15000  1.0 3.0
   95    94    99   100   0.15000  1.0 3.0
   95    94    99   101   0.15000  1.0 3.0
   96    94    99    70   0.15000  1.0 3.0
   96    94    99   100   0.15000  1.0 3.0
   96    94    99   101   0.15000  1.0 3.0
   99    70    75    76   0.15000  1.0 3.0
   99    70    75    77   0.15000  1.0 3.0
   99    70   -75    85   0.56750  1.0 1.0
   99    70   -75    85  -0.07550 -1.0 2.0
   99    70   -75    85   0.20000  1.0 3.0
   99    70    78    79   0.15000  1.0 3.0
   99    70    78    80   0.15000  1.0 3.0
   99    70    78    81   0.15000  1.0 3.0
   99   101   -65    61   0.56750  1.0 1.0
   99   101   -65    61  -0.07550 -1.0 2.0
   99   101   -65    61   0.20000  1.0 3.0
   99   101    65    66   0.15000  1.0 3.0
   99   101    65    71   0.86500  1.0 1.0
   99   101    65    71  -0.17500 -1.0 2.0
   99   101    65    71   0.20800  1.0 3.0
  100    99   101   102   0.15000  1.0 3.0
  100    99   101   103   0.15000  1.0 3.0
  100    99   101    65   0.15000  1.0 3.0
  101    65    71    72  -0.11600  1.0 1.0
  101    65    71    72  -0.09450 -1.0 2.0
  101    65    71    72   0.21250  1.0 3.0
  102   101    65    61   0.15000  1.0 3.0
  102   101    65    66   0.15000  1.0 3.0
  102   101    65    71   0.23400  1.0 3.0
  103   101    65    61   0.15000  1.0 3.0
  103   101    65    66   0.15000  1.0 3.0
  103   101    65    71   0.23400  1.0 3.0
   65    61    63    64   0.15000  1.0 3.0
   65    61    63    67   0.56750  1.0 1.0
   65    61    63    67  -0.07550 -1.0 2.0
   65    61    63    67   0.20000  1.0 3.0
   65    61   -63    70   0.56750  1.0 1.0
   65    61   -63    70  -0.07550 -1.0 2.0
   65    61   -63    70   0.20000  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   97    92    94    95   0.23400  1.0 3.0
   97    92    94    96   0.23400  1.0 3.0
   97    92    94    99   0.86500  1.0 1.0
   97    92    94    99  -0.17500 -1.0 2.0
   97    92    94    99   0.20800  1.0 3.0
   78    70    75    76   0.15000  1.0 3.0
   78    70    75    77   0.15000  1.0 3.0
   78    70    75    85   0.56750  1.0 1.0
   78    70    75    85  -0.07550 -1.0 2.0
   78    70    75    85   0.20000  1.0 3.0
   78    70    99    94   0.56750  1.0 1.0
   78    70    99    94  -0.07550 -1.0 2.0
   78    70    99    94   0.20000  1.0 3.0
   78    70    99   100   0.15000  1.0 3.0
   78    70    99   101   0.56750  1.0 1.0
   78    70    99   101  -0.07550 -1.0 2.0
   78    70    99   101   0.20000  1.0 3.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    53   0.56750  1.0 1.0
   49    45    47    53  -0.07550 -1.0 2.0
   49    45    47    53   0.20000  1.0 3.0
   49    45    47    82   0.56750  1.0 1.0
   49    45    47    82  -0.07550 -1.0 2.0
   49    45    47    82   0.20000  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
   37    30    36    38  10.50000 -1.0 2.0
END
