* LIGAND DATABASE FILE (OPLS2005)
*
001     118   121    218    336     627
    1     0 S   NP   _N1_     1    28.93571    97.34113   -19.11844
    2     1 S   H    _HN1     2     1.02779    69.52058   -73.60924
    3     1 S   H    _H1_     3     1.02960    88.19736    36.72407
    4     1 S   H    _H2_     4     1.02835    51.30152   150.40536
    5     1 S   CT   _CA1     5     1.50105   158.52466  -172.40296
    6     5 S   HC   _HA1     6     1.09570   105.27042    28.96418
    7     5 S   CO3  _C1_     7     1.53839   112.31998   -91.34563
    8     7 S   O2Z  _O11     8     1.26364   115.01780   -45.12011
    9     7 S   O2Z  _O12     9     1.26233   114.93660   134.05538
   10     5 S   CT   _CB1    10     1.53083   107.42113   146.93819
   11    10 S   HC   HB11    11     1.09822   109.50928   -50.06685
   12    10 S   HC   HB12    12     1.09826   110.35864    66.54288
   13    10 S   CT   _CG1    13     1.52968   112.58688  -171.15125
   14    13 S   HC   HG11    14     1.09594   110.36823   -60.48071
   15    13 S   HC   HG12    15     1.09631   110.12481    58.74648
   16    13 S   C    _CD1    16     1.51752   112.20623   179.13317
   17    16 S   O    _OE1    17     1.22719   123.26110    -7.68329
   18    16 S   N    _N2_    18     1.38576   111.56785   172.39888
   19    18 S   H    _HN2    19     1.01600   118.93448     1.94259
   20    18 S   CT1  _CA2    20     1.46187   123.46842  -176.81052
   21    20 S   HC   _HA2    21     1.09548   109.38735   -15.67247
   22    20 S   C    _C2_    22     1.53180   107.36990  -131.47321
   23    22 S   O    _O2_    23     1.22960   122.71285  -138.79269
   24    20 S   CT   _CB2    32     1.53462   111.54206   106.50381
   25    24 S   HC   HB21    33     1.09245   108.88783    57.27579
   26    24 S   HC   HB22    34     1.09510   110.06320   175.61456
   27    22 S   N    _N3_    24     1.38406   112.98218    47.96343
   28    27 S   H    _HN3    25     1.01652   119.39324    -4.99144
   29    24 S   S    _SG2    35     1.83092   111.29844   -64.83175
   30    27 S   CT   _CA3    26     1.45257   123.21068   176.82621
   31    30 S   HC   HA31    27     1.09516   108.12453   -49.73508
   32    30 S   HC   HA32    28     1.09536   107.48175    66.69665
   33    29 S   CT   _C25    36     1.85331   102.89440   160.46621
   34    30 S   CO3  _C3_    29     1.52897   114.04688  -172.06039
   35    34 S   O2Z  _O31    30     1.26355   116.01744    -9.06571
   36    34 S   O2Z  _O32    31     1.26415   114.44242   170.99933
   37    33 S   CM   _C14    37     1.52697   110.54931    50.29445
   38    33 S   CT   _C31   115     1.54055   107.30197   173.78681
   39    38 S   HC   _H66   116     1.09515   111.62352    69.41947
   40    38 S   HC   _H67   117     1.09341   113.30223   -51.03039
   41    38 S   HC   _H68   118     1.09704   110.99010  -171.35984
   42    37 S   N    _N38    38     1.37260   107.97167  -108.16178
   43    42 S   H    _H84    39     1.01393   122.81304   173.91814
   44    37 S   CM   _C20    51     1.34250   132.46799    74.16682
   45    44 S   HC   _H49    52     1.08696   120.26092   176.45111
   46    42 S   C    _C15    40     1.38081   114.76614    -5.25471
   47    46 S   O    _O41    41     1.22109   126.48373   175.97460
   48    44 S   CD   _C13    53     1.47371   124.47316    -1.61665
   49    33 S   CT   _C23    42     1.56932   115.07512   -65.33515
   50    49 S   HC   _H50    43     1.10172   108.36135  -148.65593
   51    48 S   CM   _C9_    54     1.47206   118.52144   127.01425
   52    49 S   CT   _C37    44     1.53505   121.06299   -24.83475
   53    52 S   HC   _H80    45     1.09387   111.60703    60.26427
   54    52 S   HC   _H81    46     1.09825   108.44993   175.31734
   55    51 S   CM   _C8_    55     1.34147   101.38846  -179.88131
   56    51 S   CT   _C27   111     1.47928   126.29183    -1.65895
   57    56 S   HC   _H54   112     1.09474   110.57976   -53.53472
   58    56 S   HC   _H55   113     1.09366   112.10987  -173.13416
   59    56 S   HC   _H56   114     1.09438   110.51892    66.59428
   60    52 S   CT   _C32    47     1.52080   114.27437   -65.02468
   61    60 S   HC   _H69    48     1.09449   111.00440   -54.16604
   62    60 S   HC   _H70    49     1.09505   109.90461  -173.37460
   63    60 S   HC   _H71    50     1.09250   112.06682    67.37390
   64    55 S   CM   _C11    56     1.45762   109.97442    -0.91129
   65    55 S   CT   _C34   102     1.50081   125.95365  -179.36020
   66    65 S   HC   _H74   103     1.09741   109.71131    24.66891
   67    65 S   HC   _H75   104     1.09709   110.14487   139.42357
   68    48 S   NI   _N35    57     1.29807   126.28620   -55.34484
   69    64 S   CM   _C17    58     1.34446   126.37697   178.13764
   70    69 S   HC   _H46    59     1.08651   119.05095    -1.54180
   71    65 S   CT   _C36   105     1.52683   112.24553   -96.87800
   72    71 S   HC   _H78   106     1.09691   110.24282   -62.42052
   73    71 S   HC   _H79   107     1.09784   109.62024    55.27215
   74    69 S   C5A  _C7_    60     1.42369   125.23446   179.91607
   75    71 S   CO3  _C22   108     1.53209   114.54996   176.29313
   76    75 S   O2Z  _O40   109     1.26147   116.63559     8.24917
   77    75 S   O2Z  _O44   110     1.26503   114.08522  -171.74990
   78    74 S   C5BC _C5_    61     1.38991   132.45272   158.94725
   79    78 S   C5BC _C4_    62     1.43823   107.40013   177.80331
   80    78 S   CT   _C33    93     1.50066   126.76149    -2.39906
   81    80 S   HC   _H72    94     1.09709   109.67497    34.99251
   82    80 S   HC   _H73    95     1.09731   109.22502   150.37817
   83    79 S   C5A  _C6_    63     1.38363   107.00637    -2.15350
   84    79 S   CT   _C26    89     1.48816   126.22619   179.45177
   85    84 S   HC   _H51    90     1.09466   110.19328    70.55790
   86    84 S   HC   _H52    91     1.09447   111.77354  -169.26322
   87    84 S   HC   _H53    92     1.09463   110.61183   -49.37866
   88    80 S   CT   _C35    96     1.52555   112.25155   -87.48649
   89    88 S   HC   _H76    97     1.09757   109.75902    62.06053
   90    88 S   HC   _H77    98     1.09767   109.78550   -55.09296
   91    74 S   NA   _N36    64     1.37392   120.45259   -23.23825
   92    91 S   H    _H82    65     1.01186   124.43107     2.90218
   93    83 S   CM   _C18    66     1.41830   133.34377  -179.38834
   94    93 S   HC   _H47    67     1.08345   115.55038   -57.51967
   95    88 S   CO3  _C21    99     1.53114   114.83804  -176.39218
   96    95 S   O2Z  _O39   100     1.26144   116.68285    -2.85376
   97    95 S   O2Z  _O43   101     1.26528   114.07966   176.98448
   98    93 S   CM   _C12    68     1.34393   123.42034   121.71033
   99    98 S   CM   _C10    69     1.45962   128.70680   178.85243
  100    99 S   CT   _C24    70     1.53595   107.43986  -167.04885
  101    99 S   CM   _C19    83     1.34643   129.91651    17.24782
  102   101 S   HC   _H48    84     1.08929   117.61101  -179.39155
  103   100 S   C    _C16    71     1.52541   101.74386   -11.98389
  104   103 S   O    _O42    72     1.22268   125.93748  -172.83281
  105   100 S   CT   _C29    75     1.53120   111.60111   103.72124
  106   105 S   HC   _H60    76     1.09622   111.03980  -173.41691
  107   105 S   HC   _H61    77     1.09492   111.28792    66.56056
  108   105 S   HC   _H62    78     1.09647   111.62423   -54.19404
  109   100 S   CT   _C30    79     1.53236   114.27606  -129.12488
  110   109 S   HC   _H63    80     1.09634   111.12371   171.20581
  111   109 S   HC   _H64    81     1.09645   111.31094    51.98879
  112   109 S   HC   _H65    82     1.09522   111.79479   -68.88822
  113   101 S   CT   _C28    85     1.49283   129.22469     2.72972
  114   113 S   HC   _H57    86     1.09265   110.78749   -88.04041
  115   113 S   HC   _H58    87     1.09555   109.29760   153.42443
  116   113 S   HC   _H59    88     1.09278   112.40414    35.63460
  117    98 S   N    _N37    73     1.36831   123.88599     1.24772
  118   117 S   H    _H83    74     1.01300   123.37447    -6.65201
  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  12   5   4   3
  18   2   1   1  16   9   3   2   1   9   4   9   3   7   3  10
   8   4  12   6   5   4  16   6   2   1   1   3   2   1   1  10
  10   5   4   3   8   3   5   4   3  11   2   1   1  16  14  11
   5   4  11   5   2   1   1   5   4   3   4   1   8   3   2   1
   1  11  19  15   9   4  11   4   8   3   2   1   4   2   1   1
   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    46    49    50    52    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    49    50    52    53    54    60    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    47    49    50    52    44    45    48    51    68    38    39    40    41  
   39    40    41    42    44    46    49    50    52  
   40    41    49  
   41    49  
   49  
   43    46    47    49    50    52    44    45    48  
   46    47    49    44  
   45    48    51    55    64    68    56    46    49  
   48    51    68  
   47    49    50    52    53    54    60  
   49    50    52  
   51    55    64    68    69    65    56    57    58    59  
   50    52    53    54    60    61    62    63  
   52    53    54    60  
   55    64    68    69    65    66    67    71    56    57    58    59  
   53    54    60    61    62    63  
   54    60    61    62    63  
   60    61    62    63  
   64    68    69    70    74    65    66    67    71    72    73    75    56    57    58    59  
   57    58    59    64    65    68  
   58    59  
   59  
    0  
   61    62    63  
   62    63  
   63  
    0  
   68    69    70    74    78    91    65    66    67    71  
   66    67    71    72    73    75    76    77    68    69  
   67    71    72    73    75  
   71    72    73    75  
   69    70    74  
   70    74    78    79    83    91    92    80  
   74    78    91  
   72    73    75    76    77  
   73    75    76    77  
   75    76    77  
   78    79    83    91    92    93    84    80    81    82    88  
   76    77  
   77  
    0  
   79    83    91    92    93    84    85    86    87    80    81    82    88    89    90    95  
   83    91    92    93    94    98    84    85    86    87    80    81    82    88  
   81    82    88    89    90    95    96    97    83    84    91  
   82    88    89    90    95  
   88    89    90    95  
   91    92    93    94    98    99   117    84    85    86    87  
   85    86    87    91    93  
   86    87  
   87  
    0  
   89    90    95    96    97  
   90    95    96    97  
   95    96    97  
   92    93    94    98  
   93  
   94    98    99   100   103   117   118   101  
   98    99   117  
   96    97  
   97  
    0  
   99   100   103   104   117   118   105   109   101   102   113  
  100   103   104   117   118   105   106   107   108   109   110   111   112   101   102   113   114   115   116  
  103   104   117   118   105   106   107   108   109   110   111   112   101   102   113  
  102   113   114   115   116   103   105   109   117  
  113   114   115   116  
  104   117   118   105   106   107   108   109   110   111   112  
  117   118   105   109  
  106   107   108   109   110   111   112   117  
  107   108   109  
  108   109  
  109  
  110   111   112   117  
  111   112  
  112  
    0  
  114   115   116  
  115   116  
  116  
    0  
  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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   44   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.7500   0.1050   0.396300   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   92   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   98   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   99   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  100   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  101   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  102   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  103   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
  104   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
  118   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    49   268.000  1.529
   33    38   268.000  1.529
   37    42   400.000  1.384
   37    44   549.000  1.340
   42    43   434.000  1.010
   42    46   490.000  1.335
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   44    45   340.000  1.080
   44    48   320.000  1.464
   48    51   320.000  1.464
   48    68   500.000  1.261
   51    55   549.000  1.340
   51    56   317.000  1.510
   55    64   380.000  1.444
   55    65   317.000  1.510
   64    68   405.000  1.380
   64    69   549.000  1.340
   69    70   340.000  1.080
   69    74   375.000  1.423
   74    78   546.000  1.367
   74    91   427.000  1.381
   78    79   469.000  1.424
   78    80   285.000  1.502
   79    83   546.000  1.367
   79    84   285.000  1.502
   83    91   427.000  1.381
   83    93   375.000  1.423
   91    92   434.000  1.010
   93    94   340.000  1.080
   93    98   549.000  1.340
   98    99   380.000  1.444
   98   117   400.000  1.384
   99   100   317.000  1.510
   99   101   549.000  1.340
  100   103   317.000  1.522
  100   105   268.000  1.529
  100   109   268.000  1.529
  103   104   570.000  1.229
  103   117   490.000  1.335
  117   118   434.000  1.010
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
  101   102   340.000  1.080
  101   113   317.000  1.510
  113   114   340.000  1.090
  113   115   340.000  1.090
  113   116   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    95   317.000  1.522
   95    96   656.000  1.250
   95    97   656.000  1.250
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   317.000  1.522
   75    76   656.000  1.250
   75    77   656.000  1.250
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    49    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  113.82800
   33    37    44    70.00000  124.00000
   33    49    46    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    52    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    45.00000  117.55000
   37    42    46    70.00000  120.89900
   37    44    45    35.00000  120.00000
   37    44    48    60.00000  120.31500
   42    46    47    80.00000  122.90000
   42    46    49    70.00000  116.60000
   46    42    43    35.00000  119.80000
   46    49    50    35.00000  109.50000
   46    49    52    63.00000  111.10000
   49    33    37    70.00000  112.02700
   49    46    47    80.00000  120.40000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    60    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   54    52    53    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    54    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   44    37    42    75.00000  120.83300
   44    48    51    65.00000  123.36000
   44    48    68    70.00000  121.86000
   48    44    45    40.00000  114.85300
   48    51    55    60.00000  120.31500
   48    51    56    65.00000  117.22000
   48    68    64    75.00000  115.77100
   51    55    64    70.00000  123.01800
   51    55    65    70.00000  124.00000
   51    56    57    35.00000  109.50000
   51    56    58    35.00000  109.50000
   51    56    59    35.00000  109.50000
   55    64    68    70.00000  120.83400
   55    64    69    70.00000  123.01800
   55    65    66    35.00000  109.50000
   55    65    67    35.00000  109.50000
   55    65    71    70.00000  112.02700
   64    69    70    35.00000  120.00000
   64    69    74    55.00000  128.24000
   68    48    51    70.00000  121.86000
   69    64    68    70.00000  120.83400
   69    74    78    50.00000  133.16000
   69    74    91    70.00000  120.38000
   74    69    70    40.00000  117.26300
   74    78    79    70.00000  107.30000
   74    78    80    60.00000  130.00000
   74    91    83    70.00000  109.80000
   74    91    92    35.00000  120.00000
   78    79    83    70.00000  107.30000
   78    79    84    60.00000  130.00000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    88    70.00000  112.17500
   79    83    91    70.00000  107.70000
   79    83    93    50.00000  133.16000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   83    91    92    35.00000  120.00000
   83    93    94    40.00000  117.26300
   83    93    98    55.00000  128.24000
   91    74    78    70.00000  107.70000
   93    83    91    70.00000  120.38000
   93    98    99    70.00000  123.01800
   93    98   117    75.00000  120.83300
   98    93    94    35.00000  120.00000
   98    99   100    70.00000  124.00000
   98    99   101    70.00000  123.01800
   98   117   103    70.00000  120.89900
   98   117   118    45.00000  117.55000
   99   100   103    70.00000  115.00700
   99   100   105    70.00000  112.02700
   99   100   109    70.00000  112.02700
   99   101   102    35.00000  120.00000
   99   101   113    70.00000  124.00000
  100   103   104    80.00000  120.40000
  100   103   117    70.00000  116.60000
  100   105   106    37.50000  110.70000
  100   105   107    37.50000  110.70000
  100   105   108    37.50000  110.70000
  100   109   110    37.50000  110.70000
  100   109   111    37.50000  110.70000
  100   109   112    37.50000  110.70000
  103   117   118    35.00000  119.80000
  117    98    99    75.00000  120.83300
  117   103   104    80.00000  122.90000
  105   100   103    63.00000  111.10000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   100   103    63.00000  111.10000
  109   100   105    58.35000  112.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
  101    99   100    70.00000  124.00000
  101   113   114    35.00000  109.50000
  101   113   115    35.00000  109.50000
  101   113   116    35.00000  109.50000
  113   101   102    35.00000  117.00000
  115   113   114    33.00000  107.80000
  116   113   114    33.00000  107.80000
  116   113   115    33.00000  107.80000
   84    79    83    60.00000  130.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   80    78    79    60.00000  130.00000
   80    88    89    37.50000  110.70000
   80    88    90    37.50000  110.70000
   80    88    95    70.00000  109.69300
   82    80    81    33.00000  107.80000
   88    80    81    37.50000  110.70000
   88    80    82    37.50000  110.70000
   88    95    96    70.00000  117.00000
   88    95    97    70.00000  117.00000
   90    88    89    33.00000  107.80000
   95    88    89    35.00000  109.50000
   95    88    90    35.00000  109.50000
   97    95    96    80.00000  126.00000
   65    55    64    70.00000  124.00000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    75    70.00000  109.69300
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    75    76    70.00000  117.00000
   71    75    77    70.00000  117.00000
   73    71    72    33.00000  107.80000
   75    71    72    35.00000  109.50000
   75    71    73    35.00000  109.50000
   77    75    76    80.00000  126.00000
   56    51    55    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    49    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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
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   81    80    88    95  -0.11250  1.0 3.0
   82    80    88    89   0.15000  1.0 3.0
   82    80    88    90   0.15000  1.0 3.0
   82    80    88    95  -0.11250  1.0 3.0
   89    88    95    96   0.00000  1.0 1.0
   89    88    95    97   0.00000  1.0 1.0
   90    88    95    96   0.00000  1.0 1.0
   90    88    95    97   0.00000  1.0 1.0
   65    55    64    68   1.08500 -1.0 2.0
   65    55    64    69  -0.18600  1.0 3.0
   65    71    75    76   0.41150 -1.0 2.0
   65    71    75    77   0.41150 -1.0 2.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    75  -0.11250  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    75  -0.11250  1.0 3.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    77   0.00000  1.0 1.0
   73    71    75    76   0.00000  1.0 1.0
   73    71    75    77   0.00000  1.0 1.0
   56    51    55    64   7.00000 -1.0 2.0
   56    51    55    65   7.00000 -1.0 2.0
   38    33    37    42  -0.93550  1.0 1.0
   38    33    37    42   0.38900 -1.0 2.0
   38    33    37    42   0.16950  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    49    46  -0.95700  1.0 1.0
   38    33    49    46  -0.18200 -1.0 2.0
   38    33    49    46   0.29450  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    52   0.56750  1.0 1.0
   38    33    49    52  -0.07550 -1.0 2.0
   38    33    49    52   0.20000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    42    37    44   1.10000 -1.0 2.0
   43    46    42    37   1.00000 -1.0 2.0
   42    49    46    47  10.50000 -1.0 2.0
   48    45    44    37   1.10000 -1.0 2.0
   44    51    48    68  10.50000 -1.0 2.0
   48    56    51    55   1.10000 -1.0 2.0
   64    65    55    51   1.10000 -1.0 2.0
   55    68    64    69   1.10000 -1.0 2.0
   74    70    69    64   1.10000 -1.0 2.0
   78    91    74    69   4.00000 -1.0 2.0
   79    80    78    74   4.00000 -1.0 2.0
   83    84    79    78   4.00000 -1.0 2.0
   93    91    83    79   4.00000 -1.0 2.0
   92    74    91    83   1.00000 -1.0 2.0
   83    94    93    98   1.10000 -1.0 2.0
   99   117    98    93   1.10000 -1.0 2.0
   98   100    99   101   1.10000 -1.0 2.0
  100   117   103   104  10.50000 -1.0 2.0
  118   103   117    98   1.00000 -1.0 2.0
  113   102   101    99   1.10000 -1.0 2.0
   96    88    95    97  10.50000 -1.0 2.0
   76    71    75    77  10.50000 -1.0 2.0
END
