* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    223    366     682
    1     0 S   NP   _N1_     1    28.61584    95.07765   -19.50350
    2     1 S   H    _HN1     2     1.02774    79.81942   -90.23966
    3     1 S   H    _H1_     3     1.02961    92.08104    18.04018
    4     1 S   H    _H2_     4     1.02835    38.55454   133.13553
    5     1 S   CT   _CA1     5     1.50126   147.99157   153.70717
    6     5 S   HC   _HA1     6     1.09570   105.23691    45.62047
    7     5 S   CO3  _C1_     7     1.53787   112.39924   -74.63517
    8     7 S   O2Z  _O11     8     1.26367   114.96069   -42.28332
    9     7 S   O2Z  _O12     9     1.26230   114.91948   136.87767
   10     5 S   CT   _CB1    10     1.53081   107.43763   163.62472
   11    10 S   HC   HB11    11     1.09824   109.38977   -49.97531
   12    10 S   HC   HB12    12     1.09824   110.38077    66.60496
   13    10 S   CT   _CG1    13     1.53002   112.68358  -171.06112
   14    13 S   HC   HG11    14     1.09614   110.42331   -63.34036
   15    13 S   HC   HG12    15     1.09644   110.03544    55.93456
   16    13 S   C    _CD1    16     1.51805   112.26939   176.34961
   17    16 S   O    _OE1    17     1.22720   123.27721    -2.28302
   18    16 S   N    _N2_    18     1.38594   111.60234   177.57263
   19    18 S   H    _HN2    19     1.01599   119.02540     1.64830
   20    18 S   CT1  _CA2    20     1.46325   123.46301  -177.42861
   21    20 S   HC   _HA2    21     1.09733   109.45828   -11.26243
   22    20 S   C    _C2_    22     1.53432   108.49828  -127.07850
   23    22 S   O    _O2_    23     1.23021   122.18947  -146.87576
   24    20 S   CT   _CB2    32     1.53737   111.06355   110.77899
   25    24 S   HC   HB21    33     1.09231   108.17209    54.79009
   26    24 S   HC   HB22    34     1.09140   110.15573   173.18747
   27    22 S   N    _N3_    24     1.38491   113.40700    40.55607
   28    27 S   H    _HN3    25     1.01528   118.88680    -0.88470
   29    24 S   S    _SG2    35     1.82880   110.67541   -65.84312
   30    27 S   CT   _CA3    26     1.45461   123.58458   175.22775
   31    30 S   HC   HA31    27     1.09516   109.40883    20.82879
   32    30 S   HC   HA32    28     1.09504   107.07564   137.84441
   33    29 S   CT   _C20    36     1.90204   104.98526   178.20649
   34    30 S   CO3  _C3_    29     1.52915   113.00720  -102.77862
   35    34 S   O2Z  _O31    30     1.26415   115.36317   -45.67914
   36    34 S   O2Z  _O32    31     1.26352   115.01778   135.24636
   37    33 S   CT   _C21    37     1.53531   110.46891   -34.73779
   38    37 S   HC   _H32    38     1.08637   112.56372   175.24894
   39    37 S   HC   _H33    39     1.09329   112.83710    57.03282
   40    33 S   CT   _C19    56     1.60648   107.04876  -154.05463
   41    40 S   HC   _H5_    57     1.09959   108.02934   -42.52314
   42    37 S   CO4  _C22    40     1.51017   112.62083   -67.54682
   43    42 S   O    _O34    41     1.22967   120.97867   124.22115
   44    40 S   CT   _C18    58     1.56540   111.31317  -156.43047
   45    44 S   HC   _H30    59     1.09494   109.34018   -79.07685
   46    44 S   HC   _H31    60     1.09645   109.05090   165.41934
   47    42 S   CT   _C23    42     1.52427   115.61402   -60.16009
   48    47 S   HC   _H6_    43     1.09896   104.95828   -60.01574
   49    44 S   CT   _C17    61     1.53645   117.42155    46.18210
   50    49 S   HC   _H28    62     1.09652   109.21149    68.58642
   51    49 S   HC   _H29    63     1.09359   107.45218  -177.38978
   52    47 S   CT   _C28    44     1.53901   111.41608  -175.01367
   53    52 S   HC   _H38    45     1.09806   110.45903    48.27983
   54    52 S   HC   _H39    46     1.09774   109.64524   162.83094
   55    49 S   CT   _C16    64     1.53176   112.04846   -55.00002
   56    52 S   CT   _C27    47     1.52922   113.73061   -74.66222
   57    56 S   HC   _H7_    48     1.09578   110.31451    70.32538
   58    55 S   CT   _C12    65     1.57334   115.83482   166.82098
   59    58 S   HC   _H4_    66     1.09997   108.08031   -42.59067
   60    55 S   CT   _C30   102     1.54970   109.29190   -70.27446
   61    60 S   HC   _H44   103     1.09348   112.79997   167.56242
   62    60 S   HC   _H45   104     1.08961   113.43303    44.48374
   63    60 S   HC   _H46   105     1.09389   111.38415   -72.15596
   64    56 S   CT   _C26    49     1.52336   112.23985   -51.44483
   65    64 S   HC   _H36    50     1.09553   110.67881   -72.38077
   66    64 S   HC   _H37    51     1.09740   109.05050   173.14622
   67    58 S   CT   _C13    67     1.55643   101.90680  -155.86693
   68    67 S   HC   _H24    68     1.09615   111.87095   -99.30204
   69    67 S   HC   _H25    69     1.09605   110.27705   141.07313
   70    58 S   CT   _C5_    76     1.56120   121.21760    79.33515
   71    70 S   HC   _H3_    77     1.09702   109.01791    62.62025
   72    56 S   OH   _O35   110     1.42456   109.30319  -171.94051
   73    72 S   HO   _H40   111     0.97233   107.46065   -61.44210
   74    64 S   CT   _C25    52     1.52976   111.42005    52.35333
   75    74 S   HC   _H34    53     1.08777   104.86647    67.47238
   76    74 S   HC   _H35    54     1.09689   109.22165  -178.42517
   77    67 S   CT   _C14    70     1.54127   107.63524    20.78081
   78    77 S   HC   _H26    71     1.09466   108.68071   130.06227
   79    77 S   HC   _H27    72     1.09396   109.72599  -111.80106
   80    70 S   CT   _C4_    78     1.53227   112.10255   -57.12374
   81    80 S   HC   _H8_    79     1.09487   111.23351   -54.60174
   82    80 S   HC   _H9_    80     1.09315   112.00582  -175.55336
   83    80 S   HC   _H10    81     1.09120   111.48280    66.78103
   84    70 S   CT   _C6_    82     1.55448   110.07374   179.82417
   85    84 S   HC   _H11    83     1.09549   109.45787   -52.19317
   86    84 S   HC   _H12    84     1.09754   109.55520    64.36238
   87    47 S   CT   _C24    55     1.55182   110.56691    57.75182
   88    33 S   CT   _C15    73     1.58253   105.81541    88.93099
   89    84 S   CT   _C7_    85     1.53586   114.20817  -172.63795
   90    89 S   HC   _H13    86     1.09509   109.06069    50.96759
   91    89 S   HC   _H14    87     1.09321   109.78178   -66.94575
   92    88 S   OH   _O36    74     1.46094   107.55046    47.32082
   93    92 S   HO   _H47    75     0.96902   109.59079    41.22764
   94    89 S   CT   _C8_    88     1.53317   110.93917   172.32908
   95    94 S   HC   _H15    89     1.09883   109.22530   -57.54188
   96    94 S   HC   _H16    90     1.09884   109.16041    56.57803
   97    87 S   CT   _C29   106     1.56049   108.49774  -168.31878
   98    97 S   HC   _H41   107     1.09500   111.93243    54.81241
   99    97 S   HC   _H42   108     1.09279   113.27109   -63.81087
  100    97 S   HC   _H43   109     1.09596   110.75437   176.23490
  101    94 S   CT   _C9_    91     1.54168   115.60250   179.57896
  102   101 S   CT   _C10    92     1.53015   112.21182    62.32825
  103   102 S   HC   _H17    93     1.09586   110.76451    54.47238
  104   102 S   HC   _H18    94     1.09627   110.81794   172.21737
  105   102 S   HC   _H19    95     1.09408   112.15644   -67.05677
  106   101 S   CT   _C11    96     1.53020   112.25554   -62.93240
  107   106 S   HC   _H20    97     1.09585   110.76363   -54.35694
  108   106 S   HC   _H21    98     1.09404   112.18113    67.18968
  109   106 S   HC   _H22    99     1.09628   110.81251  -172.09331
  110   101 S   OH   _O33   100     1.43437   106.20893   179.70261
  111   110 S   HO   _H23   101     0.97249   108.07928  -179.94405
  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
  25   2   1   1  15   6   5  24   9  11   4  13   6   5  16   7
  15   5   4  12   6   5  19  10   6  23  10   8   3   2   1   9
   6   5  11   6   5  14   8   2   1   7   3   2   5   3   2   7
   3   2   1   9   5   4   5   2   9   5   4   1   1  13   5   4
   3   2   1   1  10   9   4   3   2   5   3   2   1   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    40    88    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    87    40    41    44    55    77    88    92  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    47    74    87    40    41    44    45    46    49    55    58    67    77    78    79    88    92    93    60    97  
   35    36  
   36  
    0  
   38    39    42    43    47    48    52    87    40    41    44    55    77    88    92  
   39    42    43    47    40    88  
   42    43    47    40    88  
   41    44    45    46    49    50    51    55    77    88    92    97    98    99   100    42    47    48    52    64    74    75    76    87  
   44    45    46    49    88    97    47    74    87  
   43    47    48    52    53    54    56    74    87    88    97  
   47    48    52    87  
   45    46    49    50    51    55    58    88    60    97    47    74    87  
   46    49    50    51    55    87  
   49    50    51    55    87  
   48    52    53    54    56    57    64    74    75    76    87    97    98    99   100    72  
   52    53    54    56    74    87    97  
   50    51    55    58    59    67    77    88    92    70    60    61    62    63    87  
   51    55    58    88    60  
   55    58    88    60  
   53    54    56    57    64    65    66    74    87    97    72    73  
   54    56    57    64    87    72  
   56    57    64    87    72  
   58    59    67    68    69    77    78    79    88    92    93    70    71    80    84    60    61    62    63  
   57    64    65    66    74    75    76    87    72    73  
   64    65    66    74    72    73  
   59    67    68    69    77    78    79    88    92    70    71    80    81    82    83    84    85    86    89    60    61    62    63  
   67    68    69    77    88    70    71    80    84    60  
   61    62    63    67    70    77    88    92  
   62    63    88  
   63    88  
   88  
   65    66    74    75    76    87    97    72    73  
   66    74    75    76    87    72  
   74    75    76    87    72  
   68    69    77    78    79    88    92    70    71    80    84  
   69    77    78    79    88    70  
   77    78    79    88    70  
   71    80    81    82    83    84    85    86    89    90    91    94    77    88  
   80    81    82    83    84    85    86    89  
   73    74  
    0  
   75    76    87    97    98    99   100  
   76    87    97  
   87    97  
   78    79    88    92    93  
   79    88    92  
   88    92  
   81    82    83    84    85    86    89  
   82    83    84  
   83    84  
   84  
   85    86    89    90    91    94    95    96   101  
   86    89    90    91    94  
   89    90    91    94  
   88    97    98    99   100  
   92    93  
   90    91    94    95    96   101   102   106   110  
   91    94    95    96   101  
   94    95    96   101  
   93  
    0  
   95    96   101   102   103   104   105   106   107   108   109   110   111  
   96   101   102   106   110  
  101   102   106   110  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104   105   106   107   108   109   110   111  
  103   104   105   106   107   108   109   110   111  
  104   105   106   110  
  105   106   110  
  106   110  
  107   108   109   110   111  
  108   109   110  
  109   110  
  110  
  111  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  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
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  111   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    40   268.000  1.529
   33    88   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    87   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    64   268.000  1.529
   56    72   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    87   268.000  1.529
   87    40   268.000  1.529
   87    97   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    58   268.000  1.529
   55    88   268.000  1.529
   55    60   268.000  1.529
   58    59   340.000  1.090
   58    67   268.000  1.529
   58    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    88   268.000  1.529
   88    92   320.000  1.410
   92    93   553.000  0.945
   70    71   340.000  1.090
   70    80   268.000  1.529
   70    84   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   101   268.000  1.529
  101   102   268.000  1.529
  101   106   268.000  1.529
  101   110   320.000  1.410
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  110   111   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   72    73   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    40    75.00000  111.63000
   29    33    88    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    40    87    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    88    55    58.35000  112.70000
   33    88    77    58.35000  112.70000
   33    88    92    50.00000  109.50000
   37    42    43    80.00000  120.40000
   37    42    47    70.00000  116.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    52    63.00000  111.10000
   42    47    87    63.00000  111.10000
   47    42    43    80.00000  120.40000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    56    58.35000  112.70000
   47    87    74    58.35000  112.70000
   47    87    40    58.35000  112.70000
   47    87    97    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    64    58.35000  112.70000
   52    56    72    50.00000  109.50000
   54    52    53    33.00000  107.80000
   56    52    53    37.50000  110.70000
   56    52    54    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    74    58.35000  112.70000
   56    72    73    55.00000  108.50000
   64    56    57    37.50000  110.70000
   64    74    75    37.50000  110.70000
   64    74    76    37.50000  110.70000
   64    74    87    58.35000  112.70000
   66    64    65    33.00000  107.80000
   74    64    65    37.50000  110.70000
   74    64    66    37.50000  110.70000
   74    87    40    58.35000  112.70000
   74    87    97    58.35000  112.70000
   76    74    75    33.00000  107.80000
   87    47    48    37.50000  110.70000
   87    47    52    58.35000  112.70000
   87    74    75    37.50000  110.70000
   87    74    76    37.50000  110.70000
   87    40    41    37.50000  110.70000
   87    40    44    58.35000  112.70000
   87    97    98    37.50000  110.70000
   87    97    99    37.50000  110.70000
   87    97   100    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    49    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    55    58.35000  112.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    55    58    58.35000  112.70000
   49    55    88    58.35000  112.70000
   49    55    60    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    67    58.35000  112.70000
   55    58    70    58.35000  112.70000
   55    88    77    58.35000  112.70000
   55    88    92    50.00000  109.50000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    77    58.35000  112.70000
   58    70    71    37.50000  110.70000
   58    70    80    58.35000  112.70000
   58    70    84    58.35000  112.70000
   67    58    59    37.50000  110.70000
   67    77    78    37.50000  110.70000
   67    77    79    37.50000  110.70000
   67    77    88    58.35000  112.70000
   69    67    68    33.00000  107.80000
   77    67    68    37.50000  110.70000
   77    67    69    37.50000  110.70000
   77    88    92    50.00000  109.50000
   79    77    78    33.00000  107.80000
   88    33    37    58.35000  112.70000
   88    33    40    58.35000  112.70000
   88    55    58    58.35000  112.70000
   88    77    78    37.50000  110.70000
   88    77    79    37.50000  110.70000
   88    92    93    55.00000  108.50000
   70    58    59    37.50000  110.70000
   70    58    67    58.35000  112.70000
   70    80    81    37.50000  110.70000
   70    80    82    37.50000  110.70000
   70    80    83    37.50000  110.70000
   70    84    85    37.50000  110.70000
   70    84    86    37.50000  110.70000
   70    84    89    58.35000  112.70000
   80    70    71    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    70    71    37.50000  110.70000
   84    70    80    58.35000  112.70000
   84    89    90    37.50000  110.70000
   84    89    91    37.50000  110.70000
   84    89    94    58.35000  112.70000
   86    84    85    33.00000  107.80000
   89    84    85    37.50000  110.70000
   89    84    86    37.50000  110.70000
   89    94    95    37.50000  110.70000
   89    94    96    37.50000  110.70000
   89    94   101    58.35000  112.70000
   91    89    90    33.00000  107.80000
   94    89    90    37.50000  110.70000
   94    89    91    37.50000  110.70000
   94   101   102    58.35000  112.70000
   94   101   106    58.35000  112.70000
   94   101   110    50.00000  109.50000
   96    94    95    33.00000  107.80000
  101    94    95    37.50000  110.70000
  101    94    96    37.50000  110.70000
  101   102   103    37.50000  110.70000
  101   102   104    37.50000  110.70000
  101   102   105    37.50000  110.70000
  101   106   107    37.50000  110.70000
  101   106   108    37.50000  110.70000
  101   106   109    37.50000  110.70000
  101   110   111    55.00000  108.50000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   101   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  110   101   102    50.00000  109.50000
  110   101   106    50.00000  109.50000
   60    55    58    58.35000  112.70000
   60    55    88    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   97    87    40    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   72    56    57    35.00000  109.50000
   72    56    64    50.00000  109.50000
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
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   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    77   0.15000  1.0 3.0
   59    58    70    71   0.15000  1.0 3.0
   59    58    70    80   0.15000  1.0 3.0
   59    58    70    84   0.15000  1.0 3.0
   67    58    70    71   0.15000  1.0 3.0
   67    58    70    80   0.56750  1.0 1.0
   67    58    70    80  -0.07550 -1.0 2.0
   67    58    70    80   0.20000  1.0 3.0
   67    58    70    84   0.56750  1.0 1.0
   67    58    70    84  -0.07550 -1.0 2.0
   67    58    70    84   0.20000  1.0 3.0
   67    77    88    33   0.56750  1.0 1.0
   67    77    88    33  -0.07550 -1.0 2.0
   67    77    88    33   0.20000  1.0 3.0
   67    77   -88    55   0.56750  1.0 1.0
   67    77   -88    55  -0.07550 -1.0 2.0
   67    77   -88    55   0.20000  1.0 3.0
   67    77    88    92   0.86500  1.0 1.0
   67    77    88    92  -0.17500 -1.0 2.0
   67    77    88    92   0.20800  1.0 3.0
   68    67    77    78   0.15000  1.0 3.0
   68    67    77    79   0.15000  1.0 3.0
   68    67    77    88   0.15000  1.0 3.0
   69    67    77    78   0.15000  1.0 3.0
   69    67    77    79   0.15000  1.0 3.0
   69    67    77    88   0.15000  1.0 3.0
   77    88    92    93  -0.11600  1.0 1.0
   77    88    92    93  -0.09450 -1.0 2.0
   77    88    92    93   0.21250  1.0 3.0
   78    77    88    33   0.15000  1.0 3.0
   78    77    88    55   0.15000  1.0 3.0
   78    77    88    92   0.23400  1.0 3.0
   79    77    88    33   0.15000  1.0 3.0
   79    77    88    55   0.15000  1.0 3.0
   79    77    88    92   0.23400  1.0 3.0
   88    33    37    38   0.15000  1.0 3.0
   88    33    37    39   0.15000  1.0 3.0
   88    33    37    42  -0.95700  1.0 1.0
   88    33    37    42  -0.18200 -1.0 2.0
   88    33    37    42   0.29450  1.0 3.0
   88    33    40    87   0.56750  1.0 1.0
   88    33    40    87  -0.07550 -1.0 2.0
   88    33    40    87   0.20000  1.0 3.0
   88    33    40    41   0.15000  1.0 3.0
   88    33   -40    44   0.56750  1.0 1.0
   88    33   -40    44  -0.07550 -1.0 2.0
   88    33   -40    44   0.20000  1.0 3.0
   88    55    58    59   0.15000  1.0 3.0
   88    55   -58    67   0.56750  1.0 1.0
   88    55   -58    67  -0.07550 -1.0 2.0
   88    55   -58    67   0.20000  1.0 3.0
   88    55    58    70   0.56750  1.0 1.0
   88    55    58    70  -0.07550 -1.0 2.0
   88    55    58    70   0.20000  1.0 3.0
   88    55    60    61   0.15000  1.0 3.0
   88    55    60    62   0.15000  1.0 3.0
   88    55    60    63   0.15000  1.0 3.0
   70    58    67    68   0.15000  1.0 3.0
   70    58    67    69   0.15000  1.0 3.0
   70    58    67    77   0.56750  1.0 1.0
   70    58    67    77  -0.07550 -1.0 2.0
   70    58    67    77   0.20000  1.0 3.0
   70    84    89    90   0.15000  1.0 3.0
   70    84    89    91   0.15000  1.0 3.0
   70    84    89    94   0.56750  1.0 1.0
   70    84    89    94  -0.07550 -1.0 2.0
   70    84    89    94   0.20000  1.0 3.0
   71    70    80    81   0.15000  1.0 3.0
   71    70    80    82   0.15000  1.0 3.0
   71    70    80    83   0.15000  1.0 3.0
   71    70    84    85   0.15000  1.0 3.0
   71    70    84    86   0.15000  1.0 3.0
   71    70    84    89   0.15000  1.0 3.0
   80    70    84    85   0.15000  1.0 3.0
   80    70    84    86   0.15000  1.0 3.0
   80    70    84    89   0.56750  1.0 1.0
   80    70    84    89  -0.07550 -1.0 2.0
   80    70    84    89   0.20000  1.0 3.0
   84    70    80    81   0.15000  1.0 3.0
   84    70    80    82   0.15000  1.0 3.0
   84    70    80    83   0.15000  1.0 3.0
   84    89    94    95   0.15000  1.0 3.0
   84    89    94    96   0.15000  1.0 3.0
   84    89    94   101   0.56750  1.0 1.0
   84    89    94   101  -0.07550 -1.0 2.0
   84    89    94   101   0.20000  1.0 3.0
   85    84    89    90   0.15000  1.0 3.0
   85    84    89    91   0.15000  1.0 3.0
   85    84    89    94   0.15000  1.0 3.0
   86    84    89    90   0.15000  1.0 3.0
   86    84    89    91   0.15000  1.0 3.0
   86    84    89    94   0.15000  1.0 3.0
   89    94   101   102   0.56750  1.0 1.0
   89    94   101   102  -0.07550 -1.0 2.0
   89    94   101   102   0.20000  1.0 3.0
   89    94   101   106   0.56750  1.0 1.0
   89    94   101   106  -0.07550 -1.0 2.0
   89    94   101   106   0.20000  1.0 3.0
   89    94   101   110   0.86500  1.0 1.0
   89    94   101   110  -0.17500 -1.0 2.0
   89    94   101   110   0.20800  1.0 3.0
   90    89    94    95   0.15000  1.0 3.0
   90    89    94    96   0.15000  1.0 3.0
   90    89    94   101   0.15000  1.0 3.0
   91    89    94    95   0.15000  1.0 3.0
   91    89    94    96   0.15000  1.0 3.0
   91    89    94   101   0.15000  1.0 3.0
   94   101   102   103   0.15000  1.0 3.0
   94   101   102   104   0.15000  1.0 3.0
   94   101   102   105   0.15000  1.0 3.0
   94   101   106   107   0.15000  1.0 3.0
   94   101   106   108   0.15000  1.0 3.0
   94   101   106   109   0.15000  1.0 3.0
   94   101   110   111  -0.11600  1.0 1.0
   94   101   110   111  -0.09450 -1.0 2.0
   94   101   110   111   0.21250  1.0 3.0
   95    94   101   102   0.15000  1.0 3.0
   95    94   101   106   0.15000  1.0 3.0
   95    94   101   110   0.23400  1.0 3.0
   96    94   101   102   0.15000  1.0 3.0
   96    94   101   106   0.15000  1.0 3.0
   96    94   101   110   0.23400  1.0 3.0
  102   101   106   107   0.15000  1.0 3.0
  102   101   106   108   0.15000  1.0 3.0
  102   101   106   109   0.15000  1.0 3.0
  102   101   110   111  -0.11600  1.0 1.0
  102   101   110   111  -0.09450 -1.0 2.0
  102   101   110   111   0.21250  1.0 3.0
  106   101   102   103   0.15000  1.0 3.0
  106   101   102   104   0.15000  1.0 3.0
  106   101   102   105   0.15000  1.0 3.0
  106   101   110   111  -0.11600  1.0 1.0
  106   101   110   111  -0.09450 -1.0 2.0
  106   101   110   111   0.21250  1.0 3.0
  110   101   102   103   0.23400  1.0 3.0
  110   101   102   104   0.23400  1.0 3.0
  110   101   102   105   0.23400  1.0 3.0
  110   101   106   107   0.23400  1.0 3.0
  110   101   106   108   0.23400  1.0 3.0
  110   101   106   109   0.23400  1.0 3.0
   60    55    58    59   0.15000  1.0 3.0
   60    55    58    67   0.56750  1.0 1.0
   60    55    58    67  -0.07550 -1.0 2.0
   60    55    58    67   0.20000  1.0 3.0
   60    55    58    70   0.56750  1.0 1.0
   60    55    58    70  -0.07550 -1.0 2.0
   60    55    58    70   0.20000  1.0 3.0
   60    55    88    33   0.56750  1.0 1.0
   60    55    88    33  -0.07550 -1.0 2.0
   60    55    88    33   0.20000  1.0 3.0
   60    55    88    77   0.56750  1.0 1.0
   60    55    88    77  -0.07550 -1.0 2.0
   60    55    88    77   0.20000  1.0 3.0
   60    55    88    92   0.86500  1.0 1.0
   60    55    88    92  -0.17500 -1.0 2.0
   60    55    88    92   0.20800  1.0 3.0
   97    87    40    33   0.56750  1.0 1.0
   97    87    40    33  -0.07550 -1.0 2.0
   97    87    40    33   0.20000  1.0 3.0
   97    87    40    41   0.15000  1.0 3.0
   97    87    40    44   0.56750  1.0 1.0
   97    87    40    44  -0.07550 -1.0 2.0
   97    87    40    44   0.20000  1.0 3.0
   72    56    64    65   0.23400  1.0 3.0
   72    56    64    66   0.23400  1.0 3.0
   72    56    64    74   0.86500  1.0 1.0
   72    56    64    74  -0.17500 -1.0 2.0
   72    56    64    74   0.20800  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    47    42    43  10.50000 -1.0 2.0
END
