* LIGAND DATABASE FILE (OPLS2005)
*
001     110   114    226    371     680
    1     0 S   NP   _N1_     1    28.98327    92.68569   -20.19531
    2     1 S   H    _HN1     2     1.02849    28.62377   115.51273
    3     1 S   H    _H1_     3     1.02788    79.87092   -77.27535
    4     1 S   H    _H2_     4     1.02953   111.26358    28.43071
    5     1 S   CT   _CA1     5     1.50065   129.39177   172.36853
    6     5 S   HC   _HA1     6     1.09578   105.35201    34.41870
    7     5 S   CO3  _C1_     7     1.53945   111.90261   -85.81488
    8     7 S   O2Z  _O11     8     1.26388   115.21315   -57.55357
    9     7 S   O2Z  _O12     9     1.26229   114.81582   121.55141
   10     5 S   CT   _CB1    10     1.53065   107.41419   152.14407
   11    10 S   HC   HB11    11     1.09821   109.75230   -50.71752
   12    10 S   HC   HB12    12     1.09835   110.21697    65.77909
   13    10 S   CT   _CG1    13     1.53081   112.54509  -171.81005
   14    13 S   HC   HG11    14     1.09584   110.32178   -52.04192
   15    13 S   HC   HG12    15     1.09577   110.38746    67.17548
   16    13 S   C    _CD1    16     1.51730   111.49555  -172.47434
   17    16 S   O    _OE1    17     1.22767   122.97495   -20.39288
   18    16 S   N    _N2_    18     1.38576   111.94432   159.54810
   19    18 S   H    _HN2    19     1.01573   119.22935     4.50746
   20    18 S   CT1  _CA2    20     1.46238   123.08958  -171.70708
   21    20 S   HC   _HA2    21     1.09720   109.38652   -14.61623
   22    20 S   C    _C2_    22     1.53267   108.69804  -130.82218
   23    22 S   O    _O2_    23     1.23012   122.20956  -145.94630
   24    20 S   CT   _CB2    32     1.53646   110.95067   106.97497
   25    24 S   HC   HB21    33     1.09581   109.38370    58.88685
   26    24 S   HC   HB22    34     1.09481   110.54838   177.67527
   27    22 S   N    _N3_    24     1.38497   113.33999    41.42230
   28    27 S   H    _HN3    25     1.01537   118.89887    -0.54500
   29    24 S   S    _SG2    35     1.82938   111.58376   -61.98222
   30    27 S   CT   _CA3    26     1.45443   123.38568   175.11517
   31    30 S   HC   HA31    27     1.09528   109.15685    25.84202
   32    30 S   HC   HA32    28     1.09494   107.14201   142.83034
   33    29 S   CT   _C22    36     1.84580   100.01387   160.65850
   34    33 S   HC   _H9_    37     1.09505   106.85721   -34.25159
   35    30 S   CO3  _C3_    29     1.52930   113.17417   -97.58053
   36    35 S   O2Z  _O31    30     1.26401   115.43058   -44.11529
   37    35 S   O2Z  _O32    31     1.26361   114.96639   136.83464
   38    33 S   CT   _C21    38     1.53842   107.55786    82.77046
   39    38 S   HC   _H32    39     1.09787   110.71995    53.86852
   40    38 S   HC   _H33    40     1.09761   109.16751   -62.57491
   41    38 S   CT   _C20    41     1.53758   113.13591   176.60287
   42    41 S   HC   _H8_    42     1.09441   106.77009    68.74056
   43    41 S   CT   _C15    43     1.53578   111.39563  -173.11878
   44    43 S   HC   _H6_    44     1.10327   106.46101    65.31074
   45    41 S   CT   _C19    60     1.55864   111.94260   -51.30365
   46    45 S   HC   _H7_    61     1.09968   106.93411   -62.25875
   47    43 S   CT   _C14    45     1.52026   118.20771   -53.58657
   48    47 S   HC   _H26    46     1.09483   112.16649    76.97911
   49    47 S   HC   _H27    47     1.09573   111.59890   -43.77187
   50    45 S   CT   _C24    62     1.57766   111.70971    54.59957
   51    47 S   CT   _C13    48     1.53318   103.83185  -162.83724
   52    51 S   HC   _H24    49     1.09602   109.42136   131.43828
   53    51 S   HC   _H25    50     1.09598   110.33048  -110.43733
   54    50 S   CT   _C25    63     1.55766   110.37909  -175.94943
   55    54 S   HC   _H34    64     1.09740   109.96486    52.49177
   56    54 S   HC   _H35    65     1.09620   110.60852   -64.54243
   57    50 S   CT   _C29    79     1.55627   109.88607    65.37162
   58    57 S   HC   _H41    80     1.09219   112.97284   -55.78131
   59    57 S   HC   _H42    81     1.09306   112.67604  -176.18926
   60    57 S   HC   _H43    82     1.09497   111.22799    64.89412
   61    51 S   CT   _C12    51     1.55893   107.38418     9.64956
   62    61 S   HC   _H5_    52     1.10093   107.00498   -93.52584
   63    54 S   CT   _C26    66     1.52908   113.28956   174.61257
   64    63 S   HC   _H36    67     1.09707   110.26370    71.07731
   65    63 S   HC   _H37    68     1.09756   109.42507  -174.39884
   66    43 S   CT   _C16    53     1.55136   113.68235  -175.72703
   67    63 S   CT   _C27    69     1.52417   113.13326   -52.40770
   68    67 S   HC   _H10    70     1.09648   109.01874   -73.16521
   69    61 S   CT   _C5_    87     1.55877   111.89549   149.52850
   70    69 S   HC   _H3_    88     1.09740   108.72990   -58.30503
   71    66 S   CT   _C17    54     1.53954   106.37881   -61.72930
   72    71 S   HC   _H28    55     1.09773   109.91767   -64.80413
   73    71 S   HC   _H29    56     1.09293   111.54943   177.55407
   74    67 S   CT   _C28    71     1.53384   112.97412    49.15543
   75    74 S   HC   _H38    72     1.09614   110.43000    73.36432
   76    74 S   HC   _H39    73     1.09727   106.32030  -173.14826
   77    67 S   OH   _O34    77     1.42544   108.00774   170.60995
   78    77 S   HO   _H40    78     0.97615   108.05495   179.97202
   79    66 S   CT   _C30    83     1.54806   113.69365    59.66533
   80    79 S   HC   _H45    84     1.09450   112.40379    62.90221
   81    79 S   HC   _H46    85     1.09302   112.79295   -57.94547
   82    79 S   HC   _H47    86     1.09462   111.00519  -177.28805
   83    69 S   CT   _C4_    89     1.53205   112.14685  -177.58208
   84    83 S   HC   _H11    90     1.09489   111.24233   -53.82551
   85    83 S   HC   _H12    91     1.09134   111.35443    67.55438
   86    83 S   HC   _H13    92     1.09306   112.07522  -174.75133
   87    69 S   CT   _C6_    93     1.55255   110.19633    59.34660
   88    87 S   HC   _H14    94     1.09744   109.57887    65.51875
   89    87 S   HC   _H15    95     1.09590   109.78164   -50.52476
   90    71 S   CT   _C18    57     1.54034   112.33468    56.26941
   91    90 S   HC   _H30    58     1.09400   108.91008    69.84942
   92    90 S   HC   _H31    59     1.09558   107.25781  -175.42080
   93    33 S   CT   _C23    74     1.55888   112.44853  -152.67039
   94    87 S   CT   _C7_    96     1.53344   114.19143  -171.15482
   95    94 S   HC   _H16    97     1.09652   109.47093    52.04671
   96    94 S   HC   _H17    98     1.09341   110.97505   -65.33936
   97    93 S   OH   _O35    75     1.44320   109.14404   -57.43445
   98    97 S   HO   _H44    76     0.96924   109.71835   -45.20647
   99    94 S   C3T  _C8_    99     1.49764   110.90742   171.37220
  100    99 S   HC   _H4_   100     1.08309   112.58037   -71.74960
  101    99 S   C3T  _C9_   101     1.51986   124.07793    83.71192
  102    99 S   O3T  _O33   102     1.43544   114.38209   150.47449
  103   101 S   CT   _C10   103     1.49630   121.81525    -0.52302
  104   103 S   HC   _H18   104     1.09521   110.46040   154.72609
  105   103 S   HC   _H19   105     1.09382   112.80386    34.86350
  106   103 S   HC   _H20   106     1.09457   110.10196   -86.02363
  107   101 S   CT   _C11   107     1.49705   118.41842  -158.82502
  108   107 S   HC   _H21   108     1.09488   110.58498  -143.63654
  109   107 S   HC   _H22   109     1.09468   110.19129    96.63983
  110   107 S   HC   _H23   110     1.09528   111.97689   -23.45105
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  15   6   5  20   8  22   9  21   8  11   6
   5  21  11   5   4  16   7   6   8   3   2   1  20   7  10   5
   4  14   8   6  14   8   9   5   4   7   4   3   2   1   4   2
   1   1   7   3   2   1   9   5   4   3   1   1   2   8   5   4
   1   1  11   4   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    93    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    50    74    93    97  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    50    54    67    74    75    76    93    97    98    57  
   38    39    40    41    50    74    93    97  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    66    90    45    46    50    74    93    97  
   40    41    42    43    45    93  
   41    42    43    45    93  
   42    43    44    47    48    49    51    61    66    71    90    91    92    45    46    50    54    93    57    79  
   43    44    47    66    90    45    46    50  
   44    47    48    49    51    52    53    61    62    66    71    72    73    90    45    46    50    79    80    81    82    69  
   47    48    49    51    61    66    71    45    79  
   46    50    54    55    56    63    74    93    97    57    58    59    60    47    66    71    72    73    90    91    92  
   50    54    93    57    71    90    91    92  
   48    49    51    52    53    61    62    66    71    79    69  
   49    51    52    53    61    66  
   51    52    53    61    66  
   54    55    56    63    64    65    67    74    75    76    93    97    98    57    58    59    60    71    90    91    92  
   52    53    61    62    66    71    79    69    70    83    87  
   53    61    62    66    69  
   61    62    66    69  
   55    56    63    64    65    67    68    74    93    97    77    57    58    59    60    90  
   56    63    64    65    67    93    57  
   63    64    65    67    93    57  
   58    59    60    63    74    90    93    97  
   59    60    93  
   60    93  
   93  
   62    66    71    72    73    90    79    80    81    82    69    70    83    84    85    86    87    88    89    94  
   66    71    79    69    70    83    87  
   64    65    67    68    74    75    76    93    77    78  
   65    67    68    74    77  
   67    68    74    77  
   71    72    73    90    91    92    79    80    81    82    69    70    83    87  
   68    74    75    76    93    97    77    78  
   74    75    76    93    77    78  
   70    83    84    85    86    87    88    89    94    95    96    99    71    79  
   83    84    85    86    87    88    89    94  
   72    73    90    91    92    79    80    81    82  
   73    90    91    92    79  
   90    91    92    79  
   75    76    93    97    98    77    78  
   76    93    97    77  
   93    97    77  
   78    93  
    0  
   80    81    82    90  
   81    82  
   82  
    0  
   84    85    86    87    88    89    94  
   85    86    87  
   86    87  
   87  
   88    89    94    95    96    99   100   101   102  
   89    94    95    96    99  
   94    95    96    99  
   91    92    93  
   92  
    0  
   97    98  
   95    96    99   100   101   102   103   107  
   96    99   100   101   102  
   99   100   101   102  
   98  
    0  
  100   101   102   103   104   105   106   107   108   109   110  
  101   102   103   107  
  102   103   104   105   106   107   108   109   110  
  103   104   105   106   107   108   109   110  
  104   105   106   107   108   109   110  
  105   106   107  
  106   107  
  107  
  108   109   110  
  109   110  
  110  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.116200   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
  102   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    93   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    66   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    61   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    69   268.000  1.529
   66    71   268.000  1.529
   66    79   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    45   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    54   268.000  1.529
   50    93   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    74   268.000  1.529
   67    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    93   268.000  1.529
   93    97   320.000  1.410
   97    98   553.000  0.945
   77    78   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   69    70   340.000  1.090
   69    83   268.000  1.529
   69    87   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    99   275.000  1.510
   99   100   340.000  1.088
   99   101   260.000  1.509
   99   102   335.000  1.432
  101   102   335.000  1.432
  101   103   275.000  1.510
  101   107   275.000  1.510
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    93    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    93    50    58.35000  112.70000
   33    93    74    58.35000  112.70000
   33    93    97    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    66    58.35000  112.70000
   41    45    90    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    50    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    51    58.35000  112.70000
   43    66    61    58.35000  112.70000
   43    66    71    58.35000  112.70000
   43    66    79    58.35000  112.70000
   47    43    44    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    61    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    66    58.35000  112.70000
   51    61    69    58.35000  112.70000
   53    51    52    33.00000  107.80000
   61    51    52    37.50000  110.70000
   61    51    53    37.50000  110.70000
   61    66    71    58.35000  112.70000
   61    66    79    58.35000  112.70000
   61    69    70    37.50000  110.70000
   61    69    83    58.35000  112.70000
   61    69    87    58.35000  112.70000
   66    43    44    37.50000  110.70000
   66    43    47    58.35000  112.70000
   66    61    62    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    90    58.35000  112.70000
   66    79    80    37.50000  110.70000
   66    79    81    37.50000  110.70000
   66    79    82    37.50000  110.70000
   71    90    91    37.50000  110.70000
   71    90    92    37.50000  110.70000
   71    90    45    58.35000  112.70000
   73    71    72    33.00000  107.80000
   90    71    72    37.50000  110.70000
   90    71    73    37.50000  110.70000
   90    45    46    37.50000  110.70000
   90    45    50    58.35000  112.70000
   92    90    91    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    58.35000  112.70000
   45    90    91    37.50000  110.70000
   45    90    92    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    93    58.35000  112.70000
   45    50    57    58.35000  112.70000
   50    45    46    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    58.35000  112.70000
   50    93    74    58.35000  112.70000
   50    93    97    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    67    58.35000  112.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    74    58.35000  112.70000
   63    67    77    50.00000  109.50000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    93    58.35000  112.70000
   67    77    78    55.00000  108.50000
   74    67    68    37.50000  110.70000
   74    93    97    50.00000  109.50000
   76    74    75    33.00000  107.80000
   93    33    34    37.50000  110.70000
   93    33    38    58.35000  112.70000
   93    50    54    58.35000  112.70000
   93    74    75    37.50000  110.70000
   93    74    76    37.50000  110.70000
   93    97    98    55.00000  108.50000
   77    67    68    35.00000  109.50000
   77    67    74    50.00000  109.50000
   57    50    54    58.35000  112.70000
   57    50    93    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   79    66    71    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    66    58.35000  112.70000
   69    83    84    37.50000  110.70000
   69    83    85    37.50000  110.70000
   69    83    86    37.50000  110.70000
   69    87    88    37.50000  110.70000
   69    87    89    37.50000  110.70000
   69    87    94    58.35000  112.70000
   83    69    70    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    69    70    37.50000  110.70000
   87    69    83    58.35000  112.70000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94    99    70.00000  112.37300
   89    87    88    33.00000  107.80000
   94    87    88    37.50000  110.70000
   94    87    89    37.50000  110.70000
   94    99   100    40.00000  115.04500
   94    99   101    60.00000  120.94000
   94    99   102    80.00000  116.47100
   96    94    95    33.00000  107.80000
   99    94    95    45.00000  109.38400
   99    94    96    45.00000  109.38400
   99   101   102    15.00000   60.43100
   99   101   103    60.00000  120.94000
   99   101   107    60.00000  120.94000
   99   102   101    15.00000   59.14900
  101    99   100    37.50000  117.20000
  101   103   104    45.00000  109.38400
  101   103   105    45.00000  109.38400
  101   103   106    45.00000  109.38400
  101   107   108    45.00000  109.38400
  101   107   109    45.00000  109.38400
  101   107   110    45.00000  109.38400
  102    99   100    50.00000  114.27700
  102    99   101    15.00000   60.43100
  103   101   102    80.00000  116.47100
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107   101   102    80.00000  116.47100
  107   101   103    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    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
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   55    54    63    65   0.15000  1.0 3.0
   55    54    63    67   0.15000  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    65   0.15000  1.0 3.0
   56    54    63    67   0.15000  1.0 3.0
   63    67    74    75   0.15000  1.0 3.0
   63    67    74    76   0.15000  1.0 3.0
   63    67    74    93   0.56750  1.0 1.0
   63    67    74    93  -0.07550 -1.0 2.0
   63    67    74    93   0.20000  1.0 3.0
   63    67    77    78  -0.11600  1.0 1.0
   63    67    77    78  -0.09450 -1.0 2.0
   63    67    77    78   0.21250  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    74   0.15000  1.0 3.0
   64    63    67    77   0.23400  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    74   0.15000  1.0 3.0
   65    63    67    77   0.23400  1.0 3.0
   67    74    93    33   0.56750  1.0 1.0
   67    74    93    33  -0.07550 -1.0 2.0
   67    74    93    33   0.20000  1.0 3.0
   67    74   -93    50   0.56750  1.0 1.0
   67    74   -93    50  -0.07550 -1.0 2.0
   67    74   -93    50   0.20000  1.0 3.0
   67    74    93    97   0.86500  1.0 1.0
   67    74    93    97  -0.17500 -1.0 2.0
   67    74    93    97   0.20800  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    93   0.15000  1.0 3.0
   68    67    77    78   0.19450  1.0 3.0
   74    67    77    78  -0.11600  1.0 1.0
   74    67    77    78  -0.09450 -1.0 2.0
   74    67    77    78   0.21250  1.0 3.0
   74    93    97    98  -0.11600  1.0 1.0
   74    93    97    98  -0.09450 -1.0 2.0
   74    93    97    98   0.21250  1.0 3.0
   75    74    93    33   0.15000  1.0 3.0
   75    74    93    50   0.15000  1.0 3.0
   75    74    93    97   0.23400  1.0 3.0
   76    74    93    33   0.15000  1.0 3.0
   76    74    93    50   0.15000  1.0 3.0
   76    74    93    97   0.23400  1.0 3.0
   93    33    38    39   0.15000  1.0 3.0
   93    33    38    40   0.15000  1.0 3.0
   93    33   -38    41   0.56750  1.0 1.0
   93    33   -38    41  -0.07550 -1.0 2.0
   93    33   -38    41   0.20000  1.0 3.0
   93    50    54    55   0.15000  1.0 3.0
   93    50    54    56   0.15000  1.0 3.0
   93    50   -54    63   0.56750  1.0 1.0
   93    50   -54    63  -0.07550 -1.0 2.0
   93    50   -54    63   0.20000  1.0 3.0
   93    50    57    58   0.15000  1.0 3.0
   93    50    57    59   0.15000  1.0 3.0
   93    50    57    60   0.15000  1.0 3.0
   77    67    74    75   0.23400  1.0 3.0
   77    67    74    76   0.23400  1.0 3.0
   77    67    74    93   0.86500  1.0 1.0
   77    67    74    93  -0.17500 -1.0 2.0
   77    67    74    93   0.20800  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    63   0.56750  1.0 1.0
   57    50    54    63  -0.07550 -1.0 2.0
   57    50    54    63   0.20000  1.0 3.0
   57    50    93    33   0.56750  1.0 1.0
   57    50    93    33  -0.07550 -1.0 2.0
   57    50    93    33   0.20000  1.0 3.0
   57    50    93    74   0.56750  1.0 1.0
   57    50    93    74  -0.07550 -1.0 2.0
   57    50    93    74   0.20000  1.0 3.0
   57    50    93    97   0.86500  1.0 1.0
   57    50    93    97  -0.17500 -1.0 2.0
   57    50    93    97   0.20800  1.0 3.0
   79    66    71    72   0.15000  1.0 3.0
   79    66    71    73   0.15000  1.0 3.0
   79    66    71    90   0.56750  1.0 1.0
   79    66    71    90  -0.07550 -1.0 2.0
   79    66    71    90   0.20000  1.0 3.0
   69    61    66    43   0.56750  1.0 1.0
   69    61    66    43  -0.07550 -1.0 2.0
   69    61    66    43   0.20000  1.0 3.0
   69    61    66    71   0.56750  1.0 1.0
   69    61    66    71  -0.07550 -1.0 2.0
   69    61    66    71   0.20000  1.0 3.0
   69    61    66    79   0.56750  1.0 1.0
   69    61    66    79  -0.07550 -1.0 2.0
   69    61    66    79   0.20000  1.0 3.0
   69    87    94    95   0.15000  1.0 3.0
   69    87    94    96   0.15000  1.0 3.0
   69    87    94    99   0.47050  1.0 1.0
   69    87    94    99   0.03900 -1.0 2.0
   69    87    94    99   0.20100  1.0 3.0
   70    69    83    84   0.15000  1.0 3.0
   70    69    83    85   0.15000  1.0 3.0
   70    69    83    86   0.15000  1.0 3.0
   70    69    87    88   0.15000  1.0 3.0
   70    69    87    89   0.15000  1.0 3.0
   70    69    87    94   0.15000  1.0 3.0
   83    69    87    88   0.15000  1.0 3.0
   83    69    87    89   0.15000  1.0 3.0
   83    69    87    94   0.56750  1.0 1.0
   83    69    87    94  -0.07550 -1.0 2.0
   83    69    87    94   0.20000  1.0 3.0
   87    69    83    84   0.15000  1.0 3.0
   87    69    83    85   0.15000  1.0 3.0
   87    69    83    86   0.15000  1.0 3.0
   87    94    99   100   0.15000  1.0 3.0
   87    94    99   101   0.07850  1.0 1.0
   87    94    99   101  -0.03950 -1.0 2.0
   87    94    99   101   0.67350  1.0 3.0
   87    94    99   102   0.02550  1.0 1.0
   87    94    99   102  -0.02600 -1.0 2.0
   87    94    99   102   1.20400  1.0 3.0
   88    87    94    95   0.15000  1.0 3.0
   88    87    94    96   0.15000  1.0 3.0
   88    87    94    99   0.15000  1.0 3.0
   89    87    94    95   0.15000  1.0 3.0
   89    87    94    96   0.15000  1.0 3.0
   89    87    94    99   0.15000  1.0 3.0
   94    99  -101   102   0.02550  1.0 1.0
   94    99  -101   102  -0.02600 -1.0 2.0
   94    99  -101   102   1.20400  1.0 3.0
   94    99   101   103   0.56750  1.0 1.0
   94    99   101   103  -0.07550 -1.0 2.0
   94    99   101   103   0.20000  1.0 3.0
   94    99   101   107   0.56750  1.0 1.0
   94    99   101   107  -0.07550 -1.0 2.0
   94    99   101   107   0.20000  1.0 3.0
   94    99  -102   101   0.06250  1.0 1.0
   94    99  -102   101  -0.01100 -1.0 2.0
   94    99  -102   101   0.28050  1.0 3.0
   95    94    99   100   0.15000  1.0 3.0
   95    94    99   101   0.15000  1.0 3.0
   95    94    99   102   0.23400  1.0 3.0
   96    94    99   100   0.15000  1.0 3.0
   96    94    99   101   0.15000  1.0 3.0
   96    94    99   102   0.23400  1.0 3.0
   99   101   103   104   0.15000  1.0 3.0
   99   101   103   105   0.15000  1.0 3.0
   99   101   103   106   0.15000  1.0 3.0
   99   101   107   108   0.15000  1.0 3.0
   99   101   107   109   0.15000  1.0 3.0
   99   101   107   110   0.15000  1.0 3.0
  100    99  -101   102   0.23400  1.0 3.0
  100    99   101   103   0.15000  1.0 3.0
  100    99   101   107   0.15000  1.0 3.0
  100    99  -102   101   0.36800  1.0 3.0
  102    99  -101   103   0.02550  1.0 1.0
  102    99  -101   103  -0.02600 -1.0 2.0
  102    99  -101   103   1.20400  1.0 3.0
  102    99  -101   107   0.02550  1.0 1.0
  102    99  -101   107  -0.02600 -1.0 2.0
  102    99  -101   107   1.20400  1.0 3.0
  102   101   103   104   0.23400  1.0 3.0
  102   101   103   105   0.23400  1.0 3.0
  102   101   103   106   0.23400  1.0 3.0
  102   101   107   108   0.23400  1.0 3.0
  102   101   107   109   0.23400  1.0 3.0
  102   101   107   110   0.23400  1.0 3.0
  103   101  -102    99   0.06250  1.0 1.0
  103   101  -102    99  -0.01100 -1.0 2.0
  103   101  -102    99   0.28050  1.0 3.0
  103   101   107   108   0.15000  1.0 3.0
  103   101   107   109   0.15000  1.0 3.0
  103   101   107   110   0.15000  1.0 3.0
  107   101  -102    99   0.06250  1.0 1.0
  107   101  -102    99  -0.01100 -1.0 2.0
  107   101  -102    99   0.28050  1.0 3.0
  107   101   103   104   0.15000  1.0 3.0
  107   101   103   105   0.15000  1.0 3.0
  107   101   103   106   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
