* LIGAND DATABASE FILE (OPLS2005)
*
001     105   110    213    355     642
    1     0 S   NP   _N1_     1    28.69543    94.45403   -24.52222
    2     1 S   H    _HN1     2     1.02950    81.91622    18.26600
    3     1 S   H    _H1_     3     1.02828    26.79874   178.14956
    4     1 S   H    _H2_     4     1.02785   108.41879   -88.47625
    5     1 S   CT   _CA1     5     1.50110   130.16601   128.19654
    6     5 S   HC   _HA1     6     1.09573   105.20085    80.88889
    7     5 S   CO3  _C1_     7     1.53793   112.46094   -39.35308
    8     7 S   O2Z  _O11     8     1.26372   115.00715   -42.52766
    9     7 S   O2Z  _O12     9     1.26240   114.94836   136.61850
   10     5 S   CT   _CB1    10     1.53081   107.42194  -161.12259
   11    10 S   HC   HB11    11     1.09831   109.38508   -49.72146
   12    10 S   HC   HB12    12     1.09813   110.44064    66.89119
   13    10 S   CT   _CG1    13     1.52983   112.59862  -170.70479
   14    13 S   HC   HG11    14     1.09585   110.61154   -65.29167
   15    13 S   HC   HG12    15     1.09669   109.80764    53.93842
   16    13 S   C    _CD1    16     1.51796   112.25660   174.39542
   17    16 S   O    _OE1    17     1.22726   123.30044     5.92959
   18    16 S   N    _N2_    18     1.38642   111.63718  -174.18156
   19    18 S   H    _HN2    19     1.01579   118.93379     1.84748
   20    18 S   CT1  _CA2    20     1.46223   123.42075   177.92434
   21    20 S   HC   _HA2    21     1.09738   109.42111     1.81747
   22    20 S   C    _C2_    22     1.53538   108.48030  -113.67850
   23    22 S   O    _O2_    23     1.23050   122.32054  -147.15892
   24    20 S   CT   _CB2    32     1.53504   111.48471   123.91515
   25    24 S   HC   HB21    33     1.09299   109.39947    56.97708
   26    24 S   HC   HB22    34     1.09441   109.53479   175.70217
   27    22 S   N    _N3_    24     1.38342   113.65702    40.23792
   28    27 S   H    _HN3    25     1.01589   119.58000    -3.28485
   29    24 S   S    _SG2    35     1.82971   110.93954   -65.24072
   30    27 S   CT   _CA3    26     1.45283   123.19217   177.14247
   31    30 S   HC   HA31    27     1.09550   107.50443   -64.66237
   32    30 S   HC   HA32    28     1.09557   107.98925    51.77167
   33    29 S   CT   _C17    36     1.88953   103.49758   165.09364
   34    30 S   CO3  _C3_    29     1.52954   114.09179   173.77080
   35    34 S   O2Z  _O31    30     1.26374   116.07246    -0.79105
   36    34 S   O2Z  _O32    31     1.26429   114.41039   179.27126
   37    33 S   CT   _C22    37     1.54943   109.03422    50.31197
   38    37 S   HC   _H24    38     1.09423   112.22847   -54.86916
   39    37 S   HC   _H25    39     1.09478   112.03405  -172.45858
   40    33 S   CT   _C16    95     1.54872   106.81164   -68.59486
   41    40 S   HC   _H18    96     1.09574   110.88879    65.70560
   42    40 S   HC   _H19    97     1.09756   110.47872   -51.58155
   43    37 S   CO4  _C21    40     1.51137   112.06972    68.38688
   44    43 S   O    _O34    41     1.22994   121.66527  -132.19963
   45    43 S   CT   _C20    42     1.50749   116.39121    52.87624
   46    45 S   HC   _H22    43     1.09417   108.59889    71.96175
   47    45 S   HC   _H23    44     1.09548   108.81742  -171.17675
   48    45 S   CT   _C19    45     1.52212   110.39525   -50.93723
   49    48 S   HC   _H20    46     1.09573   109.11480   177.06075
   50    48 S   HC   _H21    47     1.09796   107.91840   -69.87073
   51    33 S   CT   _C18    48     1.60301   110.27985   171.46981
   52    51 S   CT   _C13    49     1.58759   109.10691   171.59020
   53    52 S   HC   _H5_    50     1.09766   107.39353    59.75075
   54    51 S   CT   _C23   102     1.55787   112.15467    50.41131
   55    54 S   HC   _H26   103     1.09273   112.67988    57.26661
   56    54 S   HC   _H27   104     1.09462   112.23956   -63.90463
   57    54 S   HC   _H28   105     1.09400   111.64115   178.33282
   58    52 S   CT   _C12    51     1.55413   114.94808   175.02941
   59    58 S   HC   _H14    52     1.09307   110.91489    55.88712
   60    58 S   HC   _H15    53     1.09530   109.84844   -61.35778
   61    58 S   CT   _C11    54     1.54035   113.65580   178.69224
   62    61 S   HC   _H12    55     1.09717   108.19161    68.50829
   63    61 S   HC   _H13    56     1.09503   108.76471  -176.38621
   64    61 S   CT   _C10    57     1.53755   112.00354   -53.60062
   65    64 S   CT   _C9_    58     1.54957   106.60125    56.87651
   66    65 S   HC   _H4_    59     1.10027   108.47474    54.86448
   67    64 S   CT   _C24    98     1.55120   109.96885   -66.30925
   68    67 S   HC   _H29    99     1.09471   112.41887  -177.69565
   69    67 S   HC   _H30   100     1.09287   112.96566    61.36348
   70    67 S   HC   _H31   101     1.09580   110.64773   -57.96551
   71    65 S   CT   _C8_    60     1.52714   103.80185   167.40366
   72    71 S   HC   _H10    61     1.09593   110.14906    84.00503
   73    71 S   HC   _H11    62     1.09453   112.00302  -155.65684
   74    52 S   CT   _C14    90     1.55870   111.89301   -56.20227
   75    74 S   HC   _H6_    91     1.09465   109.82397   -62.43444
   76    71 S   CT   _C7_    63     1.54175   104.05973   -33.90962
   77    76 S   HC   _H3_    64     1.09428   109.12570   133.74554
   78    74 S   CT   _C15    92     1.53203   111.00968    56.14797
   79    78 S   HC   _H16    93     1.09694   109.68987  -174.35923
   80    78 S   HC   _H17    94     1.09659   110.18846    69.38001
   81    64 S   CT   _C6_    65     1.55487   116.60846   167.51170
   82    81 S   OS   _O36    66     1.42716   111.55273   -41.63966
   83    81 S   CO4  _C5_    84     1.53370   115.41110    81.20061
   84    83 S   O    _O33    85     1.23246   122.04731   106.03324
   85    82 S   CO   _C25    67     1.43406   108.05273  -128.37054
   86    83 S   CT   _C4_    86     1.50865   118.05716   -71.25625
   87    86 S   HC   _H7_    87     1.09153   109.72281    83.02409
   88    86 S   HC   _H8_    88     1.09203   110.90239   -38.86904
   89    86 S   HC   _H9_    89     1.09399   109.17753  -157.49878
   90    85 S   CA   _C27    68     1.52287   109.97387   128.31165
   91    76 S   OS   _O35    79     1.42259   111.27583  -106.77443
   92    85 S   CT   _C26    80     1.52837   108.39053  -111.34550
   93    92 S   HC   _H32    81     1.09606   110.59179    60.48249
   94    92 S   HC   _H33    82     1.09565   111.60526   -58.63204
   95    92 S   HC   _H34    83     1.09574   111.54137   179.44468
   96    90 S   CA   _C28    69     1.40463   121.07665  -148.83153
   97    96 S   HA   _H35    70     1.08742   120.58359     0.09279
   98    96 S   CA   _C29    71     1.39671   120.86817  -179.97202
   99    98 S   HA   _H36    72     1.08635   119.88757  -179.66839
  100    98 S   CA   _C30    73     1.39236   120.13359     0.44499
  101   100 S   HA   _H37    74     1.08606   120.07804   180.00000
  102   100 S   CA   _C31    75     1.39216   119.83799     0.30647
  103   102 S   HA   _H38    76     1.08629   120.00000   179.59895
  104    90 S   CA   _C32    77     1.40564   120.75863    32.42546
  105   104 S   HA   _H39    78     1.08754   120.49871    -0.14935
  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
  24   2   1   1  15   6   5  13   6   5   8   4   8   5   4  11
   4   3  14  20   9   5   2   1   1  12   6   5  15   5   4  21
  19   9   9   3   2   1  12   6   5   6   3  10   5   2   1   1
  11  12   7   4  12   3   2   1   1  14   6   5   2   1   1   8
   4   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    78    40    41    42    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    58    74    78    79    80    40    41    42    54    55    56    57  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    78    40    41    42    54  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    54    43    48    51    52    65    74    75    78    79    80  
   42    51    74    78    79    80  
   51    74    78    79    80  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    58    74    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    60    61    65    74    75    78    54    55    56    57  
   53    58    59    60    61    62    63    64    65    66    71    74    75    78    79    80    54    55    56    57  
   58    59    60    61    65    74    75    78    54  
   55    56    57    58    74  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    81    74    75    78    67  
   60    61    62    63    64    74  
   61    62    63    64    74  
   62    63    64    65    66    71    76    81    82    83    74    67    68    69    70  
   63    64    65    81    67  
   64    65    81    67  
   65    66    71    72    73    76    77    81    82    85    91    83    84    86    74    75    78    67    68    69    70  
   66    71    72    73    76    77    81    82    91    83    74    75    78    79    80    67    68    69    70  
   71    72    73    76    81    74    75    78    67  
   68    69    70    71    74    76    81    82    83  
   69    70    81  
   70    81  
   81  
   72    73    76    77    81    82    85    91    83    74    75    78  
   73    76    77    81    91    74  
   76    77    81    91    74  
   75    78    79    80    76    81  
   78    79    80  
   77    81    82    85    90    91    92    83    84    86  
   81    82    85    91    83  
   79    80  
   80  
    0  
   82    85    90    91    92    83    84    86    87    88    89  
   85    90    96   104    91    92    93    94    95    83    84    86  
   84    86    87    88    89    85    91  
   86    87    88    89  
   90    96    97    98   102   104   105    91    92    93    94    95  
   87    88    89  
   88    89  
   89  
    0  
   96    97    98    99   100   102   103   104   105    91    92    93    94    95  
   92    93    94    95    96   104  
   93    94    95    96   104  
   94    95  
   95  
    0  
   97    98    99   100   101   102   104   105  
   98    99   100   104  
   99   100   101   102   103   104  
  100   101   102  
  101   102   103   104   105  
  102   103   104  
  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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5000   0.0660   0.515000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   91   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   98   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  100   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  101   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  102   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  103   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  104   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  105   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   268.000  1.529
   51    54   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    74   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   268.000  1.529
   64    81   268.000  1.529
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    81   268.000  1.529
   76    91   320.000  1.410
   81    82   320.000  1.410
   81    83   317.000  1.522
   82    85   320.000  1.380
   85    90   270.000  1.504
   85    91   320.000  1.380
   85    92   250.000  1.527
   90    96   469.000  1.400
   90   104   469.000  1.400
   96    97   367.000  1.080
   96    98   469.000  1.400
   98    99   367.000  1.080
   98   100   469.000  1.400
  100   101   367.000  1.080
  100   102   469.000  1.400
  102   103   367.000  1.080
  102   104   469.000  1.400
  104   105   367.000  1.080
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   83    84   570.000  1.229
   83    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   74    75   340.000  1.090
   74    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    40    78    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    58.35000  112.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    58    58.35000  112.70000
   51    52    74    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    58.35000  112.70000
   52    74    65    58.35000  112.70000
   52    74    75    37.50000  110.70000
   52    74    78    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    58.35000  112.70000
   61    64    81    58.35000  112.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    65    66    37.50000  110.70000
   64    65    71    58.35000  112.70000
   64    65    74    58.35000  112.70000
   64    81    76    58.35000  112.70000
   64    81    82    50.00000  109.50000
   64    81    83    63.00000  111.10000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    76    58.35000  112.70000
   65    74    75    37.50000  110.70000
   65    74    78    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    81    58.35000  112.70000
   71    76    91    50.00000  109.50000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    81    82    50.00000  109.50000
   76    81    83    63.00000  111.10000
   76    91    85    60.00000  109.50000
   81    64    65    58.35000  112.70000
   81    76    77    37.50000  110.70000
   81    82    85    60.00000  109.50000
   81    83    84    80.00000  120.40000
   81    83    86    70.00000  116.00000
   82    85    90    90.00000  107.97000
   82    85    91    92.60000  111.55000
   82    85    92    90.00000  108.56700
   85    90    96    60.00000  120.68000
   85    90   104    60.00000  120.68000
   85    92    93    45.00000  108.72000
   85    92    94    45.00000  108.72000
   85    92    95    45.00000  108.72000
   90    96    97    35.00000  120.00000
   90    96    98    63.00000  120.00000
   90   104   102    63.00000  120.00000
   90   104   105    35.00000  120.00000
   96    98    99    35.00000  120.00000
   96    98   100    63.00000  120.00000
   98    96    97    35.00000  120.00000
   98   100   101    35.00000  120.00000
   98   100   102    63.00000  120.00000
  100    98    99    35.00000  120.00000
  100   102   103    35.00000  120.00000
  100   102   104    63.00000  120.00000
  102   100   101    35.00000  120.00000
  102   104   105    35.00000  120.00000
  104    90    96    63.00000  120.00000
  104   102   103    35.00000  120.00000
   91    76    77    35.00000  109.50000
   91    76    81    50.00000  109.50000
   91    85    90    90.00000  107.97000
   92    85    90    70.00000  111.90000
   92    85    91    90.00000  108.56700
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   83    81    82    90.00000  108.74100
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   86    83    84    80.00000  120.40000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   74    52    53    37.50000  110.70000
   74    52    58    58.35000  112.70000
   74    65    66    37.50000  110.70000
   74    65    71    58.35000  112.70000
   74    78    79    37.50000  110.70000
   74    78    80    37.50000  110.70000
   74    78    40    58.35000  112.70000
   78    74    75    37.50000  110.70000
   78    40    41    37.50000  110.70000
   78    40    42    37.50000  110.70000
   80    78    79    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    78    79    37.50000  110.70000
   40    78    80    37.50000  110.70000
   42    40    41    33.00000  107.80000
   67    64    65    58.35000  112.70000
   67    64    81    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
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   90    85    92    95   0.43200  1.0 3.0
   90    96    98    99   3.62500 -1.0 2.0
   90    96    98   100   3.62500 -1.0 2.0
   96    90   104   102   3.62500 -1.0 2.0
   96    90   104   105   3.62500 -1.0 2.0
   96    98   100   101   3.62500 -1.0 2.0
   96    98  -100   102   3.62500 -1.0 2.0
   97    96    98    99   3.62500 -1.0 2.0
   97    96    98   100   3.62500 -1.0 2.0
   98   100   102   103   3.62500 -1.0 2.0
   98   100   102   104   3.62500 -1.0 2.0
   99    98   100   101   3.62500 -1.0 2.0
   99    98   100   102   3.62500 -1.0 2.0
  100   102  -104    90   3.62500 -1.0 2.0
  100   102   104   105   3.62500 -1.0 2.0
  101   100   102   103   3.62500 -1.0 2.0
  101   100   102   104   3.62500 -1.0 2.0
  103   102   104    90   3.62500 -1.0 2.0
  103   102   104   105   3.62500 -1.0 2.0
  104    90    96    97   3.62500 -1.0 2.0
  104    90   -96    98   3.62500 -1.0 2.0
   91    76    81    64   0.62750  1.0 1.0
   91    76    81    64  -0.30950 -1.0 2.0
   91    76    81    64   0.27300  1.0 3.0
   91    76   -81    82   1.11900  1.0 1.0
   91    76   -81    82  -1.16350 -1.0 2.0
   91    76   -81    82  -0.34150  1.0 3.0
   91    76    81    83  -0.09450  1.0 1.0
   91    76    81    83  -1.12950 -1.0 2.0
   91    76    81    83   0.54000  1.0 3.0
   91    85    90    96   0.64500  1.0 1.0
   91    85    90    96   0.14800 -1.0 2.0
   91    85    90    96   0.20650  1.0 3.0
   91    85    90   104   0.64500  1.0 1.0
   91    85    90   104   0.14800 -1.0 2.0
   91    85    90   104   0.20650  1.0 3.0
   91    85    92    93   0.23400  1.0 3.0
   91    85    92    94   0.23400  1.0 3.0
   91    85    92    95   0.23400  1.0 3.0
   92    85    90    96   0.04150 -1.0 2.0
   92    85    90   104   0.04150 -1.0 2.0
   92    85    91    76   0.06250  1.0 1.0
   92    85    91    76  -0.01100 -1.0 2.0
   92    85    91    76   0.28050  1.0 3.0
   83    81    82    85  -1.11000  1.0 1.0
   83    81    82    85   0.50250 -1.0 2.0
   83    81    82    85   0.47450  1.0 3.0
   84    83    86    87   0.00000  1.0 1.0
   84    83    86    88   0.00000  1.0 1.0
   84    83    86    89   0.00000  1.0 1.0
   74    52    58    59   0.15000  1.0 3.0
   74    52    58    60   0.15000  1.0 3.0
   74    52   -58    61   0.56750  1.0 1.0
   74    52   -58    61  -0.07550 -1.0 2.0
   74    52   -58    61   0.20000  1.0 3.0
   74    65    71    72   0.15000  1.0 3.0
   74    65    71    73   0.15000  1.0 3.0
   74    65    71    76   0.56750  1.0 1.0
   74    65    71    76  -0.07550 -1.0 2.0
   74    65    71    76   0.20000  1.0 3.0
   74    78   -40    33   0.56750  1.0 1.0
   74    78   -40    33  -0.07550 -1.0 2.0
   74    78   -40    33   0.20000  1.0 3.0
   74    78    40    41   0.15000  1.0 3.0
   74    78    40    42   0.15000  1.0 3.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    80   0.15000  1.0 3.0
   75    74    78    40   0.15000  1.0 3.0
   79    78    40    33   0.15000  1.0 3.0
   79    78    40    41   0.15000  1.0 3.0
   79    78    40    42   0.15000  1.0 3.0
   80    78    40    33   0.15000  1.0 3.0
   80    78    40    41   0.15000  1.0 3.0
   80    78    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33   -51    52   0.56750  1.0 1.0
   40    33   -51    52  -0.07550 -1.0 2.0
   40    33   -51    52   0.20000  1.0 3.0
   40    33    51    54   0.56750  1.0 1.0
   40    33    51    54  -0.07550 -1.0 2.0
   40    33    51    54   0.20000  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.56750  1.0 1.0
   67    64    65    71  -0.07550 -1.0 2.0
   67    64    65    71   0.20000  1.0 3.0
   67    64    65    74   0.56750  1.0 1.0
   67    64    65    74  -0.07550 -1.0 2.0
   67    64    65    74   0.20000  1.0 3.0
   67    64    81    76   0.56750  1.0 1.0
   67    64    81    76  -0.07550 -1.0 2.0
   67    64    81    76   0.20000  1.0 3.0
   67    64    81    82   0.62750  1.0 1.0
   67    64    81    82  -0.30950 -1.0 2.0
   67    64    81    82   0.27300  1.0 3.0
   67    64    81    83  -0.95700  1.0 1.0
   67    64    81    83  -0.18200 -1.0 2.0
   67    64    81    83   0.29450  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    74   0.56750  1.0 1.0
   54    51    52    74  -0.07550 -1.0 2.0
   54    51    52    74   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
   35    30    34    36  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   96   104    90    85   4.00000 -1.0 2.0
   98    97    96    90   1.10000 -1.0 2.0
  100    99    98    96   1.10000 -1.0 2.0
  102   101   100    98   1.10000 -1.0 2.0
  104   103   102   100   1.10000 -1.0 2.0
  102   105   104    90   1.10000 -1.0 2.0
   81    86    83    84  10.50000 -1.0 2.0
END
