* LIGAND DATABASE FILE (OPLS2005)
*
001     113   116    215    339     636
    1     0 S   NP   _N1_     1    28.24817    99.28512   -24.60388
    2     1 S   H    _HN1     2     1.02835    43.79597   167.30027
    3     1 S   H    _H1_     3     1.02777   114.18902  -101.65738
    4     1 S   H    _H2_     4     1.02958    63.87397    -2.22343
    5     1 S   CT   _CA1     5     1.50141   132.33425    92.25517
    6     5 S   HC   _HA1     6     1.09577   105.19765   104.81342
    7     5 S   CO3  _C1_     7     1.53777   112.35362   -15.34157
    8     7 S   O2Z  _O11     8     1.26368   114.99003   -43.75667
    9     7 S   O2Z  _O12     9     1.26234   114.92907   135.25950
   10     5 S   CT   _CB1    10     1.53091   107.41312  -137.30014
   11    10 S   HC   HB11    11     1.09829   109.29359   -50.43599
   12    10 S   HC   HB12    12     1.09815   110.44398    66.10807
   13    10 S   CT   _CG1    13     1.53028   112.69684  -171.49927
   14    13 S   HC   HG11    14     1.09592   110.51113   -65.21223
   15    13 S   HC   HG12    15     1.09660   109.89444    53.99520
   16    13 S   C    _CD1    16     1.51854   112.28103   174.34026
   17    16 S   O    _OE1    17     1.22761   123.27639     1.80342
   18    16 S   N    _N2_    18     1.38569   111.75543  -178.14861
   19    18 S   H    _HN2    19     1.01558   119.06323     3.98138
   20    18 S   CT1  _CA2    20     1.45821   122.81597   177.65173
   21    20 S   HC   _HA2    21     1.09733   108.86773    25.48912
   22    20 S   C    _C2_    22     1.52952   107.03932   -91.53428
   23    22 S   O    _O2_    23     1.22978   123.07229   -26.93986
   24    20 S   CT   _CB2    32     1.53177   112.28787   148.67358
   25    24 S   HC   HB21    33     1.09545   110.14772    54.23002
   26    24 S   HC   HB22    34     1.09527   110.15114   173.17763
   27    22 S   N    _N3_    24     1.38503   112.54832   155.78754
   28    27 S   H    _HN3    25     1.01655   120.34458    -2.22836
   29    24 S   S    _SG2    35     1.82533   111.19801   -66.75602
   30    27 S   CT   _CA3    26     1.45357   122.50356   178.61196
   31    30 S   HC   HA31    27     1.09567   107.82680   -55.50536
   32    30 S   HC   HA32    28     1.09562   107.59823    60.83549
   33    29 S   CT   _C11    36     1.84626    99.41982  -175.25629
   34    33 S   HC   _H5_    37     1.09687   104.39733    52.84272
   35    30 S   CO3  _C3_    29     1.52894   114.30978  -177.41101
   36    35 S   O2Z  _O31    30     1.26339   116.05219     0.25717
   37    35 S   O2Z  _O32    31     1.26433   114.41589  -179.79633
   38    33 S   CT   _C12    38     1.55959   112.03792   -63.91507
   39    38 S   HC   _H14    39     1.09581   109.37095    92.77667
   40    38 S   HC   _H15    40     1.09729   112.44600   -25.82544
   41    38 S   CT   _C13    41     1.55652   106.69862  -145.02183
   42    41 S   HC   _H6_    42     1.10113   106.50724    98.82151
   43    41 S   C5BC _C19    43     1.50014   114.51469  -145.31002
   44    41 S   CT   _C14    51     1.56638   103.98243   -15.08583
   45    43 S   C5BC _C20    44     1.42691   125.92660  -135.33631
   46    45 S   HA   _H22    45     1.08098   127.17572    -0.87066
   47    44 S   CT   _C15    52     1.55756   115.50168   157.30193
   48    47 S   HC   _H7_    53     1.09680   108.34982   -52.56938
   49    44 S   CT   _C18   110     1.56845   108.68691   -78.89311
   50    49 S   HC   _H19   111     1.09278   112.81029   159.94773
   51    49 S   HC   _H20   112     1.09433   112.79630    40.40195
   52    49 S   HC   _H21   113     1.09541   111.43368   -79.28669
   53    45 S   C5A  _C21    46     1.37389   106.85669   179.39187
   54    53 S   HA   _H23    47     1.08014   133.84839   179.71333
   55    47 S   CT   _C6_    54     1.55525   112.50908  -172.87332
   56    55 S   HC   _H3_    55     1.09327   107.58877   169.13302
   57    47 S   OS   _O35   103     1.44714   110.03024    64.81485
   58    53 S   OA   _O37    48     1.35576   110.40178    -0.47929
   59    55 S   CT   _C7_    56     1.57515   115.86162    45.60859
   60    59 S   HC   _H4_    57     1.09996   103.34296  -142.91533
   61    55 S   OS   _O34    96     1.45803   109.19350   -74.55443
   62    57 S   CO4  _C16   104     1.36279   117.48789  -154.48956
   63    62 S   O    _O36   105     1.22321   126.53106     2.79498
   64    43 S   C5A  _C22    49     1.38221   129.35896    42.98114
   65    64 S   HA   _H24    50     1.08056   133.53819     0.74072
   66    59 S   CM   _C8_    58     1.55892   113.41058   -32.97058
   67    59 S   CT   _C23    64     1.62067   113.02500   105.70400
   68    61 S   CO4  _C5_    97     1.36110   119.02937  -106.64147
   69    68 S   O    _O33    98     1.22288   126.82413     0.95039
   70    62 S   CT   _C17   106     1.49833   109.48900  -177.12145
   71    70 S   HC   _H16   107     1.09210   109.97935   -65.38828
   72    70 S   HC   _H17   108     1.09378   109.31852   175.30769
   73    70 S   HC   _H18   109     1.09313   109.84330    56.58734
   74    33 S   CT   _C10    59     1.57190   118.68004   173.74317
   75    74 S   OM   _O38    60     1.32639   107.37406    47.00994
   76    66 S   CM   _C9_    61     1.34771   119.05223  -136.24664
   77    76 S   HC   _H12    62     1.08253   122.55421   176.79875
   78    76 S   HC   _H13    63     1.08504   121.32703    -3.17071
   79    67 S   CM   _C24    65     1.52138   110.69048   -45.20261
   80    79 S   HC   _H25    66     1.08477   117.16758   -56.71416
   81    67 S   CT   _C34    92     1.54803   110.76869  -163.48288
   82    81 S   HC   _H38    93     1.09320   112.54603   -54.63633
   83    81 S   HC   _H39    94     1.09112   112.60372  -175.17716
   84    81 S   HC   _H40    95     1.09604   111.67355    65.85678
   85    68 S   CT   _C4_    99     1.49818   109.25957  -179.28564
   86    85 S   HC   _H9_   100     1.09294   109.79158   -61.32607
   87    85 S   HC   _H10   101     1.09374   109.37398   179.58883
   88    85 S   HC   _H11   102     1.09296   109.81584    60.57010
   89    79 S   CM   _C25    67     1.33608   127.10937   122.26244
   90    89 S   HC   _H26    68     1.08390   121.37633  -176.90940
   91    89 S   CO4  _C26    69     1.47680   120.95270     4.58907
   92    91 S   O    _O39    70     1.22999   118.63529  -166.99798
   93    91 S   CT   _C27    71     1.53271   117.83851    17.39308
   94    67 S   CT   _C28    72     1.60184   107.30995    74.86607
   95    94 S   HC   _H8_    73     1.09910   104.71148   -40.86096
   96    93 S   CT   _C32    84     1.54550   108.12848  -163.34545
   97    96 S   HC   _H32    85     1.09415   111.73538  -173.12160
   98    96 S   HC   _H33    86     1.09589   111.27008    65.29109
   99    96 S   HC   _H34    87     1.09677   111.58423   -53.96365
  100    93 S   CT   _C33    88     1.53909   106.66854    81.30396
  101   100 S   HC   _H35    89     1.09291   112.48489  -173.25989
  102   100 S   HC   _H36    90     1.09765   110.49683    67.27792
  103   100 S   HC   _H37    91     1.09323   112.64233   -50.19215
  104    94 S   CT   _C29    74     1.55646   112.57498    74.14601
  105   104 S   HC   _H27    75     1.09349   110.78446    97.55128
  106   104 S   HC   _H28    76     1.09415   112.27801   -21.06248
  107   104 S   CO4  _C30    77     1.51593   113.24055  -138.91870
  108   107 S   O    _O40    78     1.22377   124.65429    40.74606
  109   107 S   OS   _O41    79     1.36456   109.62758  -141.11629
  110   109 S   CT   _C31    80     1.43045   115.19214  -179.52522
  111   110 S   HC   _H29    81     1.09327   108.10845  -179.15050
  112   110 S   HC   _H30    82     1.09420   110.26956    62.15483
  113   110 S   HC   _H31    83     1.09430   110.30634   -60.46675
  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
  15   8   2   1   1  13   6   5  20   7  11  18   6   4  19   8
   8   3   2   1   4   2  16   7   9   2  21   8   8   5   4   1
   1   9  20   5   4   3   2   1   1   4   1   2   1   1  13   5
   8   3   2   1   3   2   1   1   7   3  13   4  14  15   6   8
   3   2   1   4   2   1   1   6   4   3   6   2   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    74    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    66    74    75  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    59    66    74    75    76    49  
   38    39    40    41    44    66    74    75  
   36    37  
   37  
    0  
   39    40    41    42    43    45    64    44    47    66    74    75    49  
   40    41    42    43    44    74  
   41    42    43    44    74  
   42    43    45    46    53    58    64    65    44    47    48    55    66    74    75    57    49    50    51    52  
   43    45    64    44    47    74    49  
   45    46    53    54    58    64    65    44    47    74    49  
   47    48    55    56    59    66    74    75    76    61    57    62    49    50    51    52    45    64  
   46    53    54    58    64    65  
   53    54    58    64  
   48    55    56    59    60    66    74    75    67    61    68    57    62    63    70    49    50    51    52  
   55    56    59    74    61    57    62    49  
   50    51    52    55    57    66    74    75  
   51    52    74  
   52    74  
   74  
   54    58    64    65  
   58    64  
   56    59    60    66    74    76    67    79    94    81    61    68    69    85    57    62  
   59    60    66    67    61    68    57  
   62    63    70    71    72    73    59    61    74  
   64    65  
   60    66    74    75    76    77    78    67    79    80    89    93    94    95   104    81    82    83    84    61    68  
   66    74    76    67    79    94    81    61  
   68    69    85    86    87    88    66    67  
   63    70    71    72    73  
   70    71    72    73  
   65  
    0  
   74    75    76    77    78    67    79    94    81  
   79    80    89    90    91    93    94    95   104   105   106   107    96   100    81    82    83    84    74    76  
   69    85    86    87    88  
   85    86    87    88  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78  
   76  
   77    78  
   78  
    0  
   80    89    90    91    92    93    94    95   104    81    82    83    84  
   89    90    91    94    81  
   82    83    84    89    93    94    95   104  
   83    84    94  
   84    94  
   94  
   86    87    88  
   87    88  
   88  
    0  
   90    91    92    93    94    96   100  
   91    92    93  
   92    93    94    95   104    96    97    98    99   100   101   102   103  
   93    94    96   100  
   94    95   104   105   106   107    96    97    98    99   100   101   102   103  
   95   104   105   106   107   108   109    96    97    98    99   100   101   102   103  
  104   105   106   107    96   100  
   97    98    99   100   101   102   103   104  
   98    99   100  
   99   100  
  100  
  101   102   103   104  
  102   103  
  103  
    0  
  105   106   107   108   109   110  
  106   107   108   109  
  107   108   109  
  108   109   110   111   112   113  
  109   110  
  110   111   112   113  
  111   112   113  
  112   113  
  113  
    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   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   76   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   94   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  108   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  109   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  110   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  112   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  113   2.4200   0.0150   0.030000   1.3810   1.2100   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    74   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   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    64   546.000  1.367
   45    46   367.000  1.080
   45    53   546.000  1.367
   53    54   367.000  1.080
   53    58   340.000  1.360
   58    64   340.000  1.360
   64    65   367.000  1.080
   44    47   268.000  1.529
   44    74   268.000  1.529
   44    49   268.000  1.529
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    57   320.000  1.410
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   320.000  1.410
   59    60   340.000  1.090
   59    66   317.000  1.510
   59    67   268.000  1.529
   66    74   317.000  1.510
   66    76   549.000  1.340
   74    75   570.000  1.307
   76    77   340.000  1.080
   76    78   340.000  1.080
   67    79   317.000  1.510
   67    94   268.000  1.529
   67    81   268.000  1.529
   79    80   340.000  1.080
   79    89   549.000  1.340
   89    90   340.000  1.080
   89    91   320.000  1.462
   91    92   570.000  1.229
   91    93   317.000  1.522
   93    94   268.000  1.529
   93    96   268.000  1.529
   93   100   268.000  1.529
   94    95   340.000  1.090
   94   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   317.000  1.522
  107   108   570.000  1.229
  107   109   214.000  1.327
  109   110   320.000  1.410
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   61    68   214.000  1.327
   68    69   570.000  1.229
   68    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   57    62   214.000  1.327
   62    63   570.000  1.229
   62    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    74    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    74    44    58.35000  112.70000
   33    74    66    70.00000  112.02700
   33    74    75    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    70.00000  112.17500
   38    41    44    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    45    60.00000  130.00000
   41    43    64    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    74    58.35000  112.70000
   41    44    49    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    53    70.00000  107.30000
   43    64    58    70.00000  110.60000
   43    64    65    35.00000  132.10000
   45    53    54    35.00000  132.10000
   45    53    58    70.00000  110.60000
   53    45    46    35.00000  125.70000
   53    58    64    70.00000  106.50000
   58    53    54    35.00000  113.40000
   58    64    65    35.00000  113.40000
   64    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    55    58.35000  112.70000
   44    47    57    50.00000  109.50000
   44    74    66    70.00000  112.02700
   44    74    75    50.00000  109.50000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    59    58.35000  112.70000
   47    55    61    50.00000  109.50000
   47    57    62    83.00000  116.90000
   55    47    48    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    66    70.00000  112.02700
   55    59    67    58.35000  112.70000
   55    61    68    83.00000  116.90000
   59    55    56    37.50000  110.70000
   59    66    74    65.00000  117.92700
   59    66    76    70.00000  124.00000
   59    67    79    70.00000  112.02700
   59    67    94    58.35000  112.70000
   59    67    81    58.35000  112.70000
   66    59    60    35.00000  109.50000
   66    74    75    85.00000  110.90400
   66    76    77    35.00000  120.00000
   66    76    78    35.00000  120.00000
   74    33    34    37.50000  110.70000
   74    33    38    58.35000  112.70000
   74    44    47    58.35000  112.70000
   76    66    74    70.00000  124.00000
   78    76    77    35.00000  117.00000
   67    59    60    37.50000  110.70000
   67    59    66    70.00000  112.02700
   67    79    80    35.00000  117.00000
   67    79    89    70.00000  124.00000
   67    94    93    58.35000  112.70000
   67    94    95    37.50000  110.70000
   67    94   104    58.35000  112.70000
   67    81    82    37.50000  110.70000
   67    81    83    37.50000  110.70000
   67    81    84    37.50000  110.70000
   79    89    90    35.00000  120.00000
   79    89    91    65.00000  118.96000
   89    79    80    35.00000  120.00000
   89    91    92    80.00000  123.72100
   89    91    93    65.00000  118.62400
   91    89    90    40.00000  117.72500
   91    93    94    63.00000  111.10000
   91    93    96    63.00000  111.10000
   91    93   100    63.00000  111.10000
   93    91    92    80.00000  120.40000
   93    94    95    37.50000  110.70000
   93    94   104    58.35000  112.70000
   93    96    97    37.50000  110.70000
   93    96    98    37.50000  110.70000
   93    96    99    37.50000  110.70000
   93   100   101    37.50000  110.70000
   93   100   102    37.50000  110.70000
   93   100   103    37.50000  110.70000
   94    67    79    70.00000  112.02700
   94   104   105    37.50000  110.70000
   94   104   106    37.50000  110.70000
   94   104   107    63.00000  111.10000
  104    94    95    37.50000  110.70000
  104   107   108    80.00000  120.40000
  104   107   109    81.00000  111.40000
  106   104   105    33.00000  107.80000
  107   104   105    35.00000  109.50000
  107   104   106    35.00000  109.50000
  107   109   110    83.00000  116.90000
  109   107   108    83.00000  123.40000
  109   110   111    35.00000  109.50000
  109   110   112    35.00000  109.50000
  109   110   113    35.00000  109.50000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   96    93    94    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
  100    93    94    58.35000  112.70000
  100    93    96    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   81    67    79    70.00000  112.02700
   81    67    94    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    59    50.00000  109.50000
   61    68    69    83.00000  123.40000
   61    68    85    81.00000  111.40000
   68    85    86    35.00000  109.50000
   68    85    87    35.00000  109.50000
   68    85    88    35.00000  109.50000
   85    68    69    80.00000  120.40000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   57    47    48    35.00000  109.50000
   57    47    55    50.00000  109.50000
   57    62    63    83.00000  123.40000
   57    62    70    81.00000  111.40000
   62    70    71    35.00000  109.50000
   62    70    72    35.00000  109.50000
   62    70    73    35.00000  109.50000
   70    62    63    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   49    44    47    58.35000  112.70000
   49    44    74    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
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   91    93    96    99  -0.11250  1.0 3.0
   91    93   100   101  -0.11250  1.0 3.0
   91    93   100   102  -0.11250  1.0 3.0
   91    93   100   103  -0.11250  1.0 3.0
   92    91    93    94   0.30150 -1.0 2.0
   92    91    93    96   0.30150 -1.0 2.0
   92    91    93   100   0.30150 -1.0 2.0
   93    94   104   105   0.15000  1.0 3.0
   93    94   104   106   0.15000  1.0 3.0
   93    94   104   107  -0.95700  1.0 1.0
   93    94   104   107  -0.18200 -1.0 2.0
   93    94   104   107   0.29450  1.0 3.0
   94    67    79    80   0.00000  1.0 1.0
   94    67   -79    89   0.09850  1.0 1.0
   94    67   -79    89   0.15250 -1.0 2.0
   94    67   -79    89  -0.50650  1.0 3.0
   94    67    81    82   0.15000  1.0 3.0
   94    67    81    83   0.15000  1.0 3.0
   94    67    81    84   0.15000  1.0 3.0
   94    93    96    97   0.15000  1.0 3.0
   94    93    96    98   0.15000  1.0 3.0
   94    93    96    99   0.15000  1.0 3.0
   94    93   100   101   0.15000  1.0 3.0
   94    93   100   102   0.15000  1.0 3.0
   94    93   100   103   0.15000  1.0 3.0
   94   104   107   108   0.30150 -1.0 2.0
   94   104   107   109   0.36750  1.0 3.0
   95    94   104   105   0.15000  1.0 3.0
   95    94   104   106   0.15000  1.0 3.0
   95    94   104   107  -0.11250  1.0 3.0
  104   107   109   110   1.63150  1.0 1.0
  104   107   109   110   2.92000 -1.0 2.0
  105   104   107   108   0.00000  1.0 1.0
  105   104   107   109   0.00000  1.0 1.0
  106   104   107   108   0.00000  1.0 1.0
  106   104   107   109   0.00000  1.0 1.0
  107   109   110   111   0.08050  1.0 3.0
  107   109   110   112   0.08050  1.0 3.0
  107   109   110   113   0.08050  1.0 3.0
  108   107   109   110   3.00000 -1.0 2.0
   96    93    94    67   0.56750  1.0 1.0
   96    93    94    67  -0.07550 -1.0 2.0
   96    93    94    67   0.20000  1.0 3.0
   96    93    94    95   0.15000  1.0 3.0
   96    93    94   104   0.56750  1.0 1.0
   96    93    94   104  -0.07550 -1.0 2.0
   96    93    94   104   0.20000  1.0 3.0
   96    93   100   101   0.15000  1.0 3.0
   96    93   100   102   0.15000  1.0 3.0
   96    93   100   103   0.15000  1.0 3.0
  100    93    94    67   0.56750  1.0 1.0
  100    93    94    67  -0.07550 -1.0 2.0
  100    93    94    67   0.20000  1.0 3.0
  100    93    94    95   0.15000  1.0 3.0
  100    93    94   104   0.56750  1.0 1.0
  100    93    94   104  -0.07550 -1.0 2.0
  100    93    94   104   0.20000  1.0 3.0
  100    93    96    97   0.15000  1.0 3.0
  100    93    96    98   0.15000  1.0 3.0
  100    93    96    99   0.15000  1.0 3.0
   81    67    79    80   0.00000  1.0 1.0
   81    67    79    89   0.09850  1.0 1.0
   81    67    79    89   0.15250 -1.0 2.0
   81    67    79    89  -0.50650  1.0 3.0
   81    67    94    93   0.56750  1.0 1.0
   81    67    94    93  -0.07550 -1.0 2.0
   81    67    94    93   0.20000  1.0 3.0
   81    67    94    95   0.15000  1.0 3.0
   81    67    94   104   0.56750  1.0 1.0
   81    67    94   104  -0.07550 -1.0 2.0
   81    67    94   104   0.20000  1.0 3.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    66   0.61850  1.0 1.0
   61    55    59    66  -0.22750 -1.0 2.0
   61    55    59    66   0.15300  1.0 3.0
   61    55    59    67   0.62750  1.0 1.0
   61    55    59    67  -0.30950 -1.0 2.0
   61    55    59    67   0.27300  1.0 3.0
   61    68    85    86   0.00000  1.0 1.0
   61    68    85    87   0.00000  1.0 1.0
   61    68    85    88   0.00000  1.0 1.0
   69    68    85    86   0.00000  1.0 1.0
   69    68    85    87   0.00000  1.0 1.0
   69    68    85    88   0.00000  1.0 1.0
   57    47    55    56   0.23400  1.0 3.0
   57    47    55    59   0.62750  1.0 1.0
   57    47    55    59  -0.30950 -1.0 2.0
   57    47    55    59   0.27300  1.0 3.0
   57    47    55    61   1.11900  1.0 1.0
   57    47    55    61  -1.16350 -1.0 2.0
   57    47    55    61  -0.34150  1.0 3.0
   57    62    70    71   0.00000  1.0 1.0
   57    62    70    72   0.00000  1.0 1.0
   57    62    70    73   0.00000  1.0 1.0
   63    62    70    71   0.00000  1.0 1.0
   63    62    70    72   0.00000  1.0 1.0
   63    62    70    73   0.00000  1.0 1.0
   49    44    47    48   0.15000  1.0 3.0
   49    44    47    55   0.56750  1.0 1.0
   49    44    47    55  -0.07550 -1.0 2.0
   49    44    47    55   0.20000  1.0 3.0
   49    44    47    57   0.62750  1.0 1.0
   49    44    47    57  -0.30950 -1.0 2.0
   49    44    47    57   0.27300  1.0 3.0
   49    44    74    33   0.56750  1.0 1.0
   49    44    74    33  -0.07550 -1.0 2.0
   49    44    74    33   0.20000  1.0 3.0
   49    44    74    66   0.34400  1.0 1.0
   49    44    74    66   0.09450 -1.0 2.0
   49    44    74    66   0.11100  1.0 3.0
   49    44    74    75   0.62750  1.0 1.0
   49    44    74    75  -0.30950 -1.0 2.0
   49    44    74    75   0.27300  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
   45    64    43    41   4.00000 -1.0 2.0
   53    46    45    43   1.10000 -1.0 2.0
   58    54    53    45   1.10000 -1.0 2.0
   58    65    64    43   1.10000 -1.0 2.0
   59    74    66    76   1.10000 -1.0 2.0
   77    78    76    66   1.10000 -1.0 2.0
   67    80    79    89   1.10000 -1.0 2.0
   91    90    89    79   1.10000 -1.0 2.0
   89    93    91    92  10.50000 -1.0 2.0
  104   109   107   108  10.50000 -1.0 2.0
   61    85    68    69  10.50000 -1.0 2.0
   57    70    62    63  10.50000 -1.0 2.0
END
