* LIGAND DATABASE FILE (OPLS2005)
*
001     118   122    219    341     627
    1     0 S   NP   _N1_     1    28.84102    95.72164   -25.28964
    2     1 S   H    _HN1     2     1.02835    30.28608  -179.16467
    3     1 S   H    _H1_     3     1.02776   116.59050   -99.29202
    4     1 S   H    _H2_     4     1.02957    76.83845     4.84687
    5     1 S   CT   _CA1     5     1.50133   124.94069   110.69617
    6     5 S   HC   _HA1     6     1.09575   105.20803    89.65162
    7     5 S   CO3  _C1_     7     1.53784   112.35349   -30.52462
    8     7 S   O2Z  _O11     8     1.26366   114.99509   -44.00375
    9     7 S   O2Z  _O12     9     1.26235   114.93184   135.05808
   10     5 S   CT   _CB1    10     1.53093   107.41839  -152.45061
   11    10 S   HC   HB11    11     1.09827   109.32106   -50.47702
   12    10 S   HC   HB12    12     1.09815   110.43631    66.07831
   13    10 S   CT   _CG1    13     1.53019   112.67248  -171.54195
   14    13 S   HC   HG11    14     1.09594   110.49656   -64.68357
   15    13 S   HC   HG12    15     1.09658   109.90869    54.51667
   16    13 S   C    _CD1    16     1.51844   112.30655   174.87837
   17    16 S   O    _OE1    17     1.22759   123.26714     0.98138
   18    16 S   N    _N2_    18     1.38548   111.70351  -179.05374
   19    18 S   H    _HN2    19     1.01549   119.10305     4.16057
   20    18 S   CT1  _CA2    20     1.45776   122.88691   177.81036
   21    20 S   HC   _HA2    21     1.09693   108.92332    23.00820
   22    20 S   C    _C2_    22     1.53029   107.30126   -93.88731
   23    22 S   O    _O2_    23     1.23017   123.00341   -21.74460
   24    20 S   CT   _CB2    32     1.53174   112.36067   146.19708
   25    24 S   HC   HB21    33     1.09611   110.46163    55.99835
   26    24 S   HC   HB22    34     1.09151   109.04040   173.61500
   27    22 S   N    _N3_    24     1.38635   112.78261   160.88269
   28    27 S   H    _HN3    25     1.01797   120.39727    -2.35526
   29    24 S   S    _SG2    35     1.83155   111.51953   -63.86706
   30    27 S   CT   _CA3    26     1.45355   122.06241   177.56402
   31    30 S   HC   HA31    27     1.09596   107.63949   -55.65954
   32    30 S   HC   HA32    28     1.09566   107.64215    60.50511
   33    29 S   CT   _C17    36     1.85055   102.28966  -143.44850
   34    33 S   OM   _O33    37     1.31883   108.65414  -165.91747
   35    30 S   CO3  _C3_    29     1.52779   114.78894  -177.73350
   36    35 S   O2Z  _O31    30     1.26236   116.23831    -7.07975
   37    35 S   O2Z  _O32    31     1.26483   114.33269   173.06472
   38    33 S   CM   _C13    38     1.50408   110.69353   -46.22360
   39    33 S   CT   _C16    84     1.59424   116.29968    70.81181
   40    39 S   HC   _H3_    85     1.10083   112.41073   128.85397
   41    38 S   CM   _C12    39     1.34983   142.32270   -55.50891
   42    39 S   CO4  _C18    86     1.52542   115.32200     5.97261
   43    42 S   O    _O34    87     1.22465   125.47498   -99.90287
   44    41 S   CM   _C11    40     1.48306   107.37167   174.91288
   45    42 S   OS   _O35    88     1.36683   109.26298    80.05694
   46    41 S   CT   _C36   115     1.48522   128.43306    -2.76881
   47    46 S   HC   _H33   116     1.09478   110.65230   117.40468
   48    46 S   HC   _H34   117     1.09404   111.91754    -2.59284
   49    46 S   HC   _H35   118     1.09482   110.57729  -122.27957
   50    44 S   NE   _N7_    41     1.37985   105.44036     1.54763
   51    50 S   H    _H32    42     1.00794   124.81410  -179.33973
   52    45 S   CT   _C19    89     1.42953   115.16522  -179.83449
   53    52 S   HC   _H14    90     1.09323   108.11569   180.00000
   54    52 S   HC   _H15    91     1.09433   110.30161    61.31825
   55    52 S   HC   _H16    92     1.09424   110.29771   -61.31742
   56    44 S   CM   _C10    93     1.34274   126.13131  -177.72962
   57    56 S   HC   _H13    94     1.08591   120.80779    -3.29337
   58    38 S   CM   _C14    43     1.44409   109.07144   120.41143
   59    56 S   C5A  _C9_    95     1.41831   121.13721   177.93455
   60    58 S   CM   _C15    44     1.32823   112.46533     2.04584
   61    59 S   C5BC _C6_    96     1.38879   135.10462   -58.88918
   62    60 S   CD   _C20    45     1.46928   120.71639  -179.65282
   63    61 S   C5BC _C7_    97     1.43931   106.86216   176.95130
   64    61 S   CT   _C5_   108     1.50022   126.94385    -3.16589
   65    64 S   HC   _H10   109     1.09430   110.83607    23.64768
   66    64 S   HC   _H11   110     1.09554   109.62071   140.26877
   67    62 S   CT   _C31    46     1.51672   122.06842  -152.75615
   68    67 S   HC   _H6_    47     1.09359   110.17530   -50.16100
   69    63 S   C5A  _C8_    98     1.38850   107.29170     1.83163
   70    63 S   CT   _C38   104     1.49029   126.86435  -178.21173
   71    70 S   HC   _H37   105     1.09498   110.20423   116.55477
   72    70 S   HC   _H38   106     1.09487   110.39389  -123.61613
   73    70 S   HC   _H39   107     1.09330   112.25078    -3.53978
   74    64 S   CT   _C4_   111     1.52150   112.30083   -97.77252
   75    74 S   HC   _H7_   112     1.09500   111.40968   -60.06947
   76    74 S   HC   _H8_   113     1.09465   110.22672   180.00000
   77    74 S   HC   _H9_   114     1.09532   111.08149    60.18259
   78    67 S   CT   _C30    48     1.54020    99.90616  -168.01024
   79    78 S   HC   _H5_    49     1.09477   112.30486  -136.46125
   80    67 S   CT   _C32    75     1.53798   110.00363    72.38641
   81    80 S   HC   _H25    76     1.09672   109.82166   -55.00385
   82    80 S   HC   _H26    77     1.09800   109.78879    60.61201
   83    59 S   NA   _N4_    99     1.36997   117.15455   121.16120
   84    83 S   H    _H12   100     1.01134   125.19015     0.30901
   85    69 S   CO4  _C37   101     1.44229   129.43686  -179.94766
   86    85 S   O    _O39   102     1.22805   124.79155  -179.70129
   87    85 S   HC   _H36   103     1.10334   115.63885     0.31714
   88    78 S   CM   _C21    50     1.50770   101.56278   -17.85919
   89    78 S   CT   _C35    71     1.52839   111.45743   100.72133
   90    89 S   HC   _H29    72     1.09568   111.91016   -55.96683
   91    89 S   HC   _H30    73     1.09543   110.95443  -176.42270
   92    89 S   HC   _H31    74     1.09526   110.36915    64.14073
   93    80 S   CT   _C33    78     1.52794   113.53505  -177.47741
   94    93 S   HC   _H27    79     1.09754   108.26806  -175.21636
   95    93 S   HC   _H28    80     1.09576   110.15659   -59.28874
   96    62 S   NI   _N5_    51     1.29796   122.69329    24.95391
   97    88 S   CM   _C22    52     1.34273   125.04097  -159.51057
   98    97 S   HC   _H17    53     1.08806   118.64938    -1.43040
   99    93 S   CO3  _C34    81     1.53212   116.51699    65.16421
  100    99 S   O2Z  _O38    82     1.26126   116.35844    22.83693
  101    99 S   O2Z  _O37    83     1.26475   114.24911  -157.77807
  102    97 S   CT   _C23    54     1.50104   123.68476   178.73514
  103   102 S   HC   _H4_    55     1.09492   113.29607   -11.32754
  104   102 S   CM   _C24    56     1.50483   114.27242   116.72634
  105   104 S   CM   _C25    57     1.34541   112.57181   119.10968
  106   104 S   CT   _C29    67     1.49473   119.06430   -61.68364
  107   106 S   HC   _H22    68     1.09447   110.17237   -61.00031
  108   106 S   HC   _H23    69     1.09266   112.81744   178.36004
  109   106 S   HC   _H24    70     1.09461   110.56643    58.73294
  110   105 S   C    _C26    58     1.48610   106.42891    -2.38245
  111   110 S   O    _O36    59     1.21947   125.50008  -178.84784
  112   105 S   CM   _C27    62     1.43634   131.46933  -179.97202
  113   112 S   HC   _H19    63     1.08720   116.16196   133.82554
  114   102 S   N    _N6_    60     1.43530   108.97011  -130.92899
  115   114 S   H    _H18    61     1.01434   124.16671    59.53549
  116   112 S   CM   _C28    64     1.33794   125.04704   -49.20326
  117   116 S   HC   _H20    65     1.08498   120.26072  -178.55341
  118   116 S   HC   _H21    66     1.08492   122.18349     0.81373
  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   9   5   4   3
  14   7   2   1   1  15  12   6  12   9   3  13   5   6   2   1
   1   7   3   3   2   1   1   9   3   4  11   7  16  12  14   9
   5   4  17   9   9   5   2   1   1   3   2   1   1  14   8  11
   5   4   4   1   2   1   1  11   5   2   1   1   5   4   3   3
   9   4   2   1   1  12   6  12  13   6   2   1   1   6   3   5
   3   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    58    60    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    50    58    60    62    39    40    42    43    45    46  
   38    41    58    60    39    40    42  
   36    37  
   37  
    0  
   41    44    50    51    58    60    62    39    40    42    56    46    47    48    49  
   40    42    43    45    52    41    50    58    60    62    67    96  
   42    43    45    58    60    62  
   44    50    51    58    60    56    57    59    46    47    48    49  
   43    45    52    53    54    55    58    60    62  
   45    52    60  
   50    51    58    60    56    57    59    61    83    46    47    48    49  
   52    53    54    55    60  
   47    48    49    50    56    58  
   48    49  
   49  
    0  
   51    58    60    62    56    57    59  
   58    60    56  
   53    54    55  
   54    55  
   55  
    0  
   57    59    61    63    69    83    84    64    58  
   59    61    83  
   60    62    67    96  
   61    63    69    83    84    85    70    64    65    66    74  
   62    67    68    78    88    96    80  
   63    69    83    84    85    70    71    72    73    64    65    66    74    75    76    77  
   67    68    78    79    88    96    97    89    80    81    82    93  
   69    83    84    85    86    87    70    71    72    73    64    65    66    74  
   65    66    74    75    76    77    69    70    83  
   66    74    75    76    77  
   74    75    76    77  
   68    78    79    88    96    97    89    90    91    92    80    81    82    93    94    95    99  
   78    79    88    96    89    80    81    82    93  
   83    84    85    86    87    70    71    72    73  
   71    72    73    83    85  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
   79    88    96    97    98   102    89    90    91    92    80    81    82    93  
   88    96    97    89    90    91    92    80  
   81    82    93    94    95    99   100   101    88    89    96  
   82    93    94    95    99  
   93    94    95    99  
   84    85    86    87  
   85  
   86    87  
   87  
    0  
   96    97    98   102   103   104   114    89    90    91    92  
   90    91    92    96    97  
   91    92  
   92  
    0  
   94    95    99   100   101  
   95    99   100   101  
   99   100   101  
   97    98   102  
   98   102   103   104   105   110   114   115   106  
  102   103   104   114  
  100   101  
  101  
    0  
  103   104   105   110   111   114   115   112   106   107   108   109  
  104   105   110   114   115   106  
  105   110   111   114   115   112   113   116   106   107   108   109  
  110   111   114   115   112   113   116   117   118   106   107   108   109  
  107   108   109   110   112   114  
  108   109  
  109  
    0  
  111   114   115   112   113   116  
  114   115   112  
  113   116   117   118   114  
  116   117   118  
  115  
    0  
  117   118  
  118  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.389700   1.8650   1.6500   0.051222218  -2.220205820
   51   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.005000   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  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   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   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   84   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   87   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   88   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   89   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   97   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   98   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   99   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  102   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  105   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  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   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  111   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  112   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  113   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  114   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  115   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  116   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  117   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  118   2.4200   0.0300   0.115000   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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   549.000  1.340
   38    58   380.000  1.444
   41    44   380.000  1.444
   41    46   317.000  1.510
   44    50   425.000  1.378
   44    56   549.000  1.340
   50    51   434.000  1.010
   50    58   425.000  1.378
   58    60   549.000  1.340
   60    62   320.000  1.464
   60    39   317.000  1.510
   62    67   270.000  1.508
   62    96   500.000  1.261
   67    68   340.000  1.090
   67    78   268.000  1.529
   67    80   268.000  1.529
   78    79   340.000  1.090
   78    88   317.000  1.510
   78    89   268.000  1.529
   88    96   405.000  1.380
   88    97   549.000  1.340
   97    98   340.000  1.080
   97   102   317.000  1.510
  102   103   340.000  1.090
  102   104   317.000  1.510
  102   114   337.000  1.449
  104   105   549.000  1.340
  104   106   317.000  1.510
  105   110   410.000  1.444
  105   112   380.000  1.444
  110   111   570.000  1.229
  110   114   490.000  1.335
  114   115   434.000  1.010
  112   113   340.000  1.080
  112   116   549.000  1.340
  116   117   340.000  1.080
  116   118   340.000  1.080
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    99   317.000  1.522
   99   100   656.000  1.250
   99   101   656.000  1.250
   39    40   340.000  1.090
   39    42   317.000  1.522
   42    43   570.000  1.229
   42    45   214.000  1.327
   45    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.080
   56    59   375.000  1.423
   59    61   546.000  1.367
   59    83   427.000  1.381
   61    63   469.000  1.424
   61    64   285.000  1.502
   63    69   546.000  1.367
   63    70   285.000  1.502
   69    83   427.000  1.381
   69    85   335.000  1.450
   83    84   434.000  1.010
   85    86   570.000  1.229
   85    87   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   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    77   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    58    70.00000  124.00000
   33    39    60    70.00000  112.02700
   33    39    40    37.50000  110.70000
   33    39    42    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    41    44    70.00000  123.01800
   38    41    46    70.00000  124.00000
   38    58    50    70.00000  124.03900
   38    58    60    70.00000  123.01800
   41    44    50    70.00000  124.03900
   41    44    56    70.00000  123.01800
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    49    35.00000  109.50000
   44    50    51    35.00000  114.50000
   44    50    58    75.00000  118.45600
   44    56    57    35.00000  120.00000
   44    56    59    55.00000  128.24000
   50    58    60    70.00000  124.03900
   58    38    41    70.00000  123.01800
   58    50    51    35.00000  114.50000
   58    60    62    60.00000  124.00000
   58    60    39    70.00000  124.00000
   60    62    67    60.00000  124.00000
   60    62    96    65.00000  125.00000
   60    39    40    35.00000  109.50000
   60    39    42    70.00000  109.06800
   62    67    68    45.00000  109.49600
   62    67    78    70.00000  111.76100
   62    67    80    70.00000  111.76100
   62    96    88    75.00000  115.77100
   67    78    79    37.50000  110.70000
   67    78    88    70.00000  112.02700
   67    78    89    58.35000  112.70000
   67    80    81    37.50000  110.70000
   67    80    82    37.50000  110.70000
   67    80    93    58.35000  112.70000
   78    67    68    37.50000  110.70000
   78    88    96    65.00000  119.96000
   78    88    97    70.00000  124.00000
   78    89    90    37.50000  110.70000
   78    89    91    37.50000  110.70000
   78    89    92    37.50000  110.70000
   88    78    79    35.00000  109.50000
   88    97    98    35.00000  120.00000
   88    97   102    70.00000  124.00000
   96    62    67    65.00000  122.10100
   97    88    96    70.00000  120.83400
   97   102   103    35.00000  109.50000
   97   102   104    70.00000  110.12100
   97   102   114    75.00000  110.78400
  102    97    98    35.00000  117.00000
  102   104   105    70.00000  124.00000
  102   104   106    65.00000  117.92700
  102   114   110    50.00000  121.90000
  102   114   115    38.00000  118.40000
  104   102   103    35.00000  109.50000
  104   105   110    70.00000  118.70000
  104   105   112    70.00000  123.01800
  104   106   107    35.00000  109.50000
  104   106   108    35.00000  109.50000
  104   106   109    35.00000  109.50000
  105   110   111    80.00000  125.30000
  105   110   114    80.00000  111.56200
  105   112   113    35.00000  120.00000
  105   112   116    70.00000  123.01800
  110   114   115    35.00000  119.80000
  114   102   103    35.00000  109.50000
  114   102   104    75.00000  110.78400
  114   110   111    80.00000  122.90000
  112   105   110    70.00000  118.70000
  112   116   117    35.00000  120.00000
  112   116   118    35.00000  120.00000
  116   112   113    35.00000  120.00000
  118   116   117    35.00000  117.00000
  106   104   105    70.00000  124.00000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   89    78    79    37.50000  110.70000
   89    78    88    70.00000  112.02700
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   80    67    68    37.50000  110.70000
   80    67    78    58.35000  112.70000
   80    93    94    37.50000  110.70000
   80    93    95    37.50000  110.70000
   80    93    99    70.00000  109.69300
   82    80    81    33.00000  107.80000
   93    80    81    37.50000  110.70000
   93    80    82    37.50000  110.70000
   93    99   100    70.00000  117.00000
   93    99   101    70.00000  117.00000
   95    93    94    33.00000  107.80000
   99    93    94    35.00000  109.50000
   99    93    95    35.00000  109.50000
  101    99   100    80.00000  126.00000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    60    62    60.00000  124.00000
   39    42    43    80.00000  120.40000
   39    42    45    81.00000  111.40000
   42    39    40    35.00000  109.50000
   42    45    52    83.00000  116.90000
   45    42    43    83.00000  123.40000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    44    50    70.00000  124.03900
   56    59    61    50.00000  133.16000
   56    59    83    70.00000  120.38000
   59    56    57    40.00000  117.26300
   59    61    63    70.00000  107.30000
   59    61    64    60.00000  130.00000
   59    83    69    70.00000  109.80000
   59    83    84    35.00000  120.00000
   61    63    69    70.00000  107.30000
   61    63    70    60.00000  130.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    74    70.00000  112.17500
   63    69    83    70.00000  107.70000
   63    69    85    55.00000  130.80000
   63    70    71    35.00000  109.50000
   63    70    72    35.00000  109.50000
   63    70    73    35.00000  109.50000
   69    83    84    35.00000  120.00000
   69    85    86    80.00000  122.40000
   69    85    87    35.00000  115.00000
   83    59    61    70.00000  107.70000
   85    69    83    70.00000  119.02500
   87    85    86    35.00000  123.00000
   70    63    69    60.00000  130.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   64    61    63    60.00000  130.00000
   64    74    75    37.50000  110.70000
   64    74    76    37.50000  110.70000
   64    74    77    37.50000  110.70000
   66    64    65    33.00000  107.80000
   74    64    65    37.50000  110.70000
   74    64    66    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   46    41    44    70.00000  124.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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
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   40    39    42    45   0.00000  1.0 1.0
   42    45    52    53   0.08050  1.0 3.0
   42    45    52    54   0.08050  1.0 3.0
   42    45    52    55   0.08050  1.0 3.0
   43    42    45    52   3.00000 -1.0 2.0
   56    44    50    51   1.00000 -1.0 2.0
   56    44    50    58  -0.54500  1.0 1.0
   56    44    50    58   1.14150 -1.0 2.0
   56    59    61    63   3.62500 -1.0 2.0
   56    59    61    64   3.62500 -1.0 2.0
   56    59    83    69   3.62500 -1.0 2.0
   56    59    83    84   2.00000 -1.0 2.0
   57    56    59    61   0.56550  1.0 3.0
   57    56    59    83   0.54250  1.0 3.0
   59    61   -63    69   3.62500 -1.0 2.0
   59    61    63    70   3.62500 -1.0 2.0
   59    61    64    65   0.00000  1.0 1.0
   59    61    64    66   0.00000  1.0 1.0
   59    61    64    74   0.04150 -1.0 2.0
   61    59   -83    69   3.62500 -1.0 2.0
   61    59    83    84   2.00000 -1.0 2.0
   61    63   -69    83   3.62500 -1.0 2.0
   61    63    69    85   3.62500 -1.0 2.0
   61    63    70    71   0.00000  1.0 1.0
   61    63    70    72   0.00000  1.0 1.0
   61    63    70    73   0.00000  1.0 1.0
   61    64    74    75   0.43200  1.0 3.0
   61    64    74    76   0.43200  1.0 3.0
   61    64    74    77   0.43200  1.0 3.0
   63    61    64    65   0.00000  1.0 1.0
   63    61    64    66   0.00000  1.0 1.0
   63    61    64    74   0.04150 -1.0 2.0
   63    69   -83    59   3.62500 -1.0 2.0
   63    69    83    84   2.00000 -1.0 2.0
   63    69    85    86   1.05000 -1.0 2.0
   63    69    85    87   0.56600 -1.0 2.0
   69    63    70    71   0.00000  1.0 1.0
   69    63    70    72   0.00000  1.0 1.0
   69    63    70    73   0.00000  1.0 1.0
   83    59   -61    63   3.62500 -1.0 2.0
   83    59    61    64   3.62500 -1.0 2.0
   83    69    85    86   1.85000 -1.0 2.0
   83    69    85    87   0.56600 -1.0 2.0
   85    69    83    59   3.62500 -1.0 2.0
   85    69    83    84   2.00000 -1.0 2.0
   70    63    69    83   3.62500 -1.0 2.0
   70    63    69    85   3.62500 -1.0 2.0
   64    61    63    69   3.62500 -1.0 2.0
   64    61    63    70   3.62500 -1.0 2.0
   65    64    74    75   0.15000  1.0 3.0
   65    64    74    76   0.15000  1.0 3.0
   65    64    74    77   0.15000  1.0 3.0
   66    64    74    75   0.15000  1.0 3.0
   66    64    74    76   0.15000  1.0 3.0
   66    64    74    77   0.15000  1.0 3.0
   46    41    44    50   1.08500 -1.0 2.0
   46    41    44    56  -0.18600  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
   33    58    38    41   1.10000 -1.0 2.0
   44    46    41    38   1.10000 -1.0 2.0
   41    50    44    56   1.10000 -1.0 2.0
   51    44    50    58   1.00000 -1.0 2.0
   38    50    58    60   1.10000 -1.0 2.0
   62    39    60    58   1.10000 -1.0 2.0
   60    67    62    96  10.50000 -1.0 2.0
   78    96    88    97   1.10000 -1.0 2.0
  102    98    97    88   1.10000 -1.0 2.0
  102   106   104   105   1.10000 -1.0 2.0
  110   112   105   104   1.10000 -1.0 2.0
  105   114   110   111  10.50000 -1.0 2.0
  115   110   114   102   1.00000 -1.0 2.0
  105   113   112   116  15.00000 -1.0 2.0
  117   118   116   112  15.00000 -1.0 2.0
  100    93    99   101  10.50000 -1.0 2.0
   39    45    42    43  10.50000 -1.0 2.0
   59    57    56    44   1.10000 -1.0 2.0
   61    83    59    56   4.00000 -1.0 2.0
   63    64    61    59   4.00000 -1.0 2.0
   69    70    63    61   4.00000 -1.0 2.0
   85    83    69    63   4.00000 -1.0 2.0
   84    59    83    69   1.00000 -1.0 2.0
   69    87    85    86  10.50000 -1.0 2.0
END
