* LIGAND DATABASE FILE (OPLS2005)
*
001     118   121    223    355     666
    1     0 S   NP   _N1_     1    28.34311    94.55315   -22.29930
    2     1 S   H    _HN1     2     1.02959    83.87951    27.19767
    3     1 S   H    _H1_     3     1.02837    30.06405   167.81998
    4     1 S   H    _H2_     4     1.02777    98.26554   -80.51575
    5     1 S   CT   _CA1     5     1.50140   138.68257   141.28823
    6     5 S   HC   _HA1     6     1.09577   105.19086    72.96235
    7     5 S   CO3  _C1_     7     1.53766   112.42617   -47.15097
    8     7 S   O2Z  _O11     8     1.26359   114.98821   -42.37160
    9     7 S   O2Z  _O12     9     1.26240   114.91932   136.70214
   10     5 S   CT   _CB1    10     1.53092   107.41477  -169.17267
   11    10 S   HC   HB11    11     1.09827   109.22466   -50.86156
   12    10 S   HC   HB12    12     1.09816   110.44813    65.65751
   13    10 S   CT   _CG1    13     1.53025   112.73817  -171.97742
   14    13 S   HC   HG11    14     1.09592   110.47126   -65.92016
   15    13 S   HC   HG12    15     1.09661   109.92958    53.30413
   16    13 S   C    _CD1    16     1.51839   112.32006   173.57892
   17    16 S   O    _OE1    17     1.22735   123.27287     0.50552
   18    16 S   N    _N2_    18     1.38647   111.69634  -179.17244
   19    18 S   H    _HN2    19     1.01582   119.00485     0.85501
   20    18 S   CT1  _CA2    20     1.46101   123.32495   178.56319
   21    20 S   HC   _HA2    21     1.09754   109.45249    -2.53057
   22    20 S   C    _C2_    22     1.53460   108.28278  -117.99042
   23    22 S   O    _O2_    23     1.23042   122.26639  -142.47677
   24    20 S   CT   _CB2    32     1.53428   111.92833   119.49176
   25    24 S   HC   HB21    33     1.09448   109.89718    55.62855
   26    24 S   HC   HB22    34     1.09255   109.24473   173.77153
   27    22 S   N    _N3_    24     1.38503   113.44027    44.81826
   28    27 S   H    _HN3    25     1.01493   119.06148    -0.37587
   29    24 S   S    _SG2    35     1.83053   111.47133   -64.65733
   30    27 S   CT   _CA3    26     1.45430   123.17840   174.76247
   31    30 S   HC   HA31    27     1.09541   108.94950    30.22005
   32    30 S   HC   HA32    28     1.09488   107.21233   147.21850
   33    29 S   CT   _C25    36     1.87768   102.58635  -157.54587
   34    33 S   OM   _O38    37     1.31954   105.58921  -167.26422
   35    30 S   CO3  _C3_    29     1.52960   113.24511   -93.01356
   36    35 S   O2Z  _O31    30     1.26394   115.47720   -42.56739
   37    35 S   O2Z  _O32    31     1.26366   114.92416   138.28931
   38    33 S   CT   _C26    38     1.55679   112.65298   -47.29042
   39    38 S   HC   _H6_    39     1.09778   107.98381    65.57076
   40    38 S   CO4  _C27    40     1.53808   111.79301   179.12867
   41    40 S   O    _O36    41     1.23483   120.22012   146.62806
   42    38 S   C    _C28   114     1.54245   115.30423   -53.27497
   43    42 S   O    _O37   115     1.22813   124.39758   -49.38050
   44    40 S   CT   _C19    42     1.54492   118.39983   -33.81405
   45    42 S   N    _N6_   116     1.37853   113.50094   133.30433
   46    45 S   H    _H27   117     1.01371   123.12966    -0.26761
   47    45 S   H    _H28   118     1.01398   119.92983   178.88601
   48    44 S   CM   _C18    43     1.52469   108.99609  -144.59759
   49    44 S   CT   _C20    96     1.54564   112.96909   -18.70929
   50    49 S   HC   _H3_    97     1.09633   108.04416   166.82670
   51    44 S   OH   _O39   112     1.42776   106.49651    99.52865
   52    51 S   HO   _H36   113     0.97404   107.50346    66.01271
   53    48 S   CM   _C17    44     1.35034   123.34215   109.50619
   54    33 S   CT   _C24    98     1.57467   108.39008    73.80075
   55    54 S   HC   _H5_    99     1.09498   105.65664   -39.46046
   56    48 S   OH   _O40   110     1.38681   113.16075   -72.67088
   57    56 S   HO   _H37   111     0.97328   108.93333  -178.98451
   58    53 S   CO4  _C16    45     1.49932   121.24738   177.85433
   59    58 S   O    _O35    46     1.22690   121.69785    -8.55708
   60    54 S   NP   _N7_   100     1.54707   112.16263    70.95180
   61    60 S   H    _H29   101     1.03020   103.42148   -23.53379
   62    58 S   CA   _C14    47     1.49216   118.35807   171.87580
   63    60 S   CT   _C29   102     1.50711   118.03979    91.54150
   64    63 S   HC   _H30   103     1.09200   109.43368    74.75857
   65    63 S   HC   _H31   104     1.09416   107.37367  -166.25371
   66    63 S   HC   _H32   105     1.08859   109.93297   -47.85501
   67    60 S   CT   _C30   106     1.50642   112.49138  -137.52317
   68    67 S   HC   _H33   107     1.09290   108.47336   -64.51651
   69    67 S   HC   _H34   108     1.09328   108.31001    56.30588
   70    67 S   HC   _H35   109     1.09330   108.22898   174.93964
   71    62 S   CA   _C13    48     1.40949   119.83969   -14.57474
   72    71 S   CA   _C12    49     1.41774   119.99306  -177.52314
   73    71 S   CT   _C23    88     1.51242   119.42095     1.39522
   74    73 S   HC   _H25    89     1.09637   110.57694   154.48166
   75    73 S   HC   _H26    90     1.09776   108.43331   -87.77024
   76    72 S   CA   _C11    50     1.41027   118.84344    -1.88128
   77    76 S   HA   _H21    51     1.08422   117.85587   179.25612
   78    72 S   NE   _N8_    79     1.40333   120.65311   177.09370
   79    53 S   CT   _C22    91     1.50247   122.67186    -0.06853
   80    79 S   HC   _H4_    92     1.10037   107.00435   104.97124
   81    76 S   CA   _C10    52     1.39562   121.65298     0.82163
   82    78 S   CT   _C31    80     1.45880   114.99367   -81.54701
   83    82 S   HC   _H38    81     1.09539   110.26171   168.84566
   84    82 S   HC   _H39    82     1.09486   112.08865    49.57210
   85    82 S   HC   _H40    83     1.09584   110.69665   -71.62611
   86    78 S   CT   _C32    84     1.45714   117.97513   134.09088
   87    86 S   HC   _H41    85     1.09547   109.96057  -162.98861
   88    86 S   HC   _H42    86     1.09523   111.57321    77.48569
   89    86 S   HC   _H43    87     1.09579   111.16735   -44.50969
   90    79 S   CT   _C21    93     1.53468   113.36793   -13.44777
   91    90 S   HC   _H23    94     1.09804   108.29545   164.57706
   92    90 S   HC   _H24    95     1.09626   109.99579   -79.62906
   93    62 S   CA   _C15    53     1.40607   120.62726   166.34383
   94    81 S   N    _N5_    56     1.41730   123.86482   179.94405
   95    94 S   H    _H20    57     1.01864   114.04385  -179.11243
   96    93 S   OH   _O34    54     1.37528   122.49087    -1.50207
   97    96 S   HO   _H22    55     0.97364   109.17506     3.46905
   98    94 S   C    _C9_    58     1.38830   128.02695     1.30821
   99    98 S   O    _O33    59     1.22715   127.63729     0.39466
  100    98 S   CT1  _C8_    60     1.51794   111.08178  -179.73312
  101   100 S   HC   _H18    61     1.09292   109.39942    60.54013
  102   100 S   HC   _H19    62     1.09291   109.36100   -61.54354
  103   100 S   NP   _N4_    63     1.50235   110.76020   179.49993
  104   103 S   H    _H16    64     1.03052   107.58957   -56.12411
  105   103 S   H    _H17    65     1.03055   107.58057    56.00337
  106   103 S   CT   _C5_    66     1.51498   118.92927   179.94405
  107   106 S   CT   _C4_    67     1.53522   106.26200   179.97202
  108   107 S   HC   _H7_    68     1.09610   111.38649   -60.15203
  109   107 S   HC   _H8_    69     1.09611   111.38617    60.15619
  110   107 S   HC   _H9_    70     1.09591   110.99509  -180.00000
  111   106 S   CT   _C6_    71     1.53033   109.59744   -61.37335
  112   111 S   HC   _H10    72     1.09496   111.92357    67.63856
  113   111 S   HC   _H11    73     1.09578   111.42519   -53.40766
  114   111 S   HC   _H12    74     1.09611   110.72213  -173.12651
  115   106 S   CT   _C7_    75     1.53033   109.59702    61.36914
  116   115 S   HC   _H13    76     1.09496   111.92290   -67.62676
  117   115 S   HC   _H14    77     1.09578   111.42567    53.41898
  118   115 S   HC   _H15    78     1.09612   110.72153   173.13756
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  15   7  14   5   6   3  16   2   1   1  15
  17   8   5   1  15  15   5   3   1  11   4  10   8  13   7   3
   2   1   3   2   1   1  15  18  10   4   3  10   4   9   4   3
   8   7   3   2   1   3   2   1   1   2   1   1   5   8   3   1
   1   8   4   9   5   4  15   5   4  12  11   4   3   2   7   3
   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    54    55    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    90    49    50    54    55    60    61    63    67    42    43    45  
   38    39    40    49    54    55    60    42  
   36    37  
   37  
    0  
   39    40    41    44    48    49    54    55    60    51    42    43    45    46    47  
   40    41    44    54    42    43    45  
   41    44    48    53    90    49    50    54    56    51    52    42    43    45  
   44    48    49    51    42  
   43    45    46    47    44    54  
   45    46    47  
   48    53    58    79    90    91    92    49    50    54    55    60    56    57    51    52  
   46    47  
   47  
    0  
   53    58    59    62    73    79    80    90    49    50    54    56    57    51    52  
   50    54    55    60    61    63    67    56    51    52    53    73    79    80    90    91    92  
   54    55    60    51    79    90    91    92  
   52    53    54    56    90  
    0  
   58    59    62    71    93    73    74    75    79    80    90    91    92    56    57  
   55    60    61    63    64    65    66    67    68    69    70    79    90    91    92  
   60    61    63    67    90  
   57    58    79  
    0  
   59    62    71    72    81    93    96    73    79    80    90  
   62    71    93    79  
   61    63    64    65    66    67    68    69    70    90  
   63    64    65    66    67    68    69    70  
   71    72    76    81    93    96    97    94    78    73    74    75    79  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    76    77    81    93    96    78    82    86    73    74    75    79    80    90  
   76    77    81    93    94    78    82    83    84    85    86    87    88    89    73    74    75    79  
   74    75    79    80    90    91    92    76    78    93  
   75    79    80    90  
   79    80    90  
   77    81    93    96    94    95    98    78    82    86  
   81    93    94    78  
   82    83    84    85    86    87    88    89    81  
   80    90    91    92  
   90    91    92  
   93    96    97    94    95    98    99   100  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    0  
   91    92  
   92  
    0  
   96    97    94    95    98  
   95    98    99   100   101   102   103    96  
   98    99   100  
   97  
    0  
   99   100   101   102   103   104   105   106  
  100   101   102   103  
  101   102   103   104   105   106   107   111   115  
  102   103   104   105   106  
  103   104   105   106  
  104   105   106   107   108   109   110   111   112   113   114   115   116   117   118  
  105   106   107   111   115  
  106   107   111   115  
  107   108   109   110   111   112   113   114   115   116   117   118  
  108   109   110   111   112   113   114   115   116   117   118  
  109   110   111   115  
  110   111   115  
  111   115  
  112   113   114   115   116   117   118  
  113   114   115  
  114   115  
  115  
  116   117   118  
  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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.5500   0.0760   0.048800   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   1.6450   1.4500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   61   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   93   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   94   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   95   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   96   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  100   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  103   3.2500   0.1700  -0.032500   2.1950   1.9500   0.003973653   1.685851020
  104   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
  105   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
  106   3.5000   0.0660   0.290000   1.9750   1.7500   0.005000000  -0.741685710
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  115   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  116   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  117   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  118   2.5000   0.0300   0.060000   1.6450   1.4500   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   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   317.000  1.522
   40    41   570.000  1.229
   40    44   317.000  1.522
   44    48   317.000  1.510
   44    49   268.000  1.529
   44    51   320.000  1.410
   48    53   549.000  1.340
   48    56   510.000  1.338
   53    58   320.000  1.462
   53    79   317.000  1.510
   58    59   570.000  1.229
   58    62   310.000  1.470
   62    71   469.000  1.400
   62    93   469.000  1.400
   71    72   469.000  1.400
   71    73   317.000  1.510
   72    76   469.000  1.400
   72    78   481.000  1.340
   76    77   367.000  1.080
   76    81   469.000  1.400
   81    93   469.000  1.400
   81    94   360.000  1.404
   93    96   450.000  1.364
   96    97   553.000  0.945
   94    95   434.000  1.010
   94    98   490.000  1.335
   98    99   570.000  1.229
   98   100   317.000  1.522
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   367.000  1.471
  103   104   434.000  1.010
  103   105   434.000  1.010
  103   106   367.000  1.471
  106   107   268.000  1.529
  106   111   268.000  1.529
  106   115   268.000  1.529
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
  115   116   340.000  1.090
  115   117   340.000  1.090
  115   118   340.000  1.090
   78    82   382.000  1.448
   78    86   382.000  1.448
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    49   268.000  1.529
   49    50   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    60   367.000  1.471
   60    61   434.000  1.010
   60    63   367.000  1.471
   60    67   367.000  1.471
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   56    57   553.000  0.945
   51    52   553.000  0.945
   42    43   570.000  1.229
   42    45   490.000  1.335
   45    46   434.000  1.010
   45    47   434.000  1.010
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  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    63.00000  111.10000
   33    54    49    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    60    80.00000  111.20000
   38    33    34    50.00000  109.50000
   38    40    41    80.00000  120.40000
   38    40    44    70.00000  116.00000
   38    42    43    80.00000  120.40000
   38    42    45    70.00000  116.60000
   40    38    39    35.00000  109.50000
   40    44    48    70.00000  109.06800
   40    44    49    63.00000  111.10000
   40    44    51    90.00000  109.61100
   44    40    41    80.00000  120.40000
   44    48    53    70.00000  124.00000
   44    48    56    90.00000  109.34000
   44    49    90    58.35000  112.70000
   44    49    50    37.50000  110.70000
   44    49    54    58.35000  112.70000
   44    51    52    55.00000  108.50000
   48    53    58    65.00000  118.96000
   48    53    79    70.00000  124.00000
   48    56    57    70.00000  107.45700
   53    58    59    80.00000  123.72100
   53    58    62    65.00000  117.02400
   53    79    73    70.00000  112.02700
   53    79    80    35.00000  109.50000
   53    79    90    70.00000  112.02700
   58    62    71    60.00000  119.52600
   58    62    93    60.00000  119.52600
   62    58    59    75.00000  123.78400
   62    71    72    63.00000  120.00000
   62    71    73    70.00000  120.00000
   62    93    81    63.00000  120.00000
   62    93    96    70.00000  120.00000
   71    72    76    63.00000  120.00000
   71    72    78    70.00000  120.10000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    79    70.00000  112.17500
   72    76    77    35.00000  120.00000
   72    76    81    63.00000  120.00000
   72    78    82    50.00000  120.00000
   72    78    86    50.00000  120.00000
   76    81    93    63.00000  120.00000
   76    81    94    70.00000  119.01900
   81    76    77    35.00000  120.00000
   81    93    96    70.00000  120.00000
   81    94    95    45.00000  118.23600
   81    94    98    65.00000  121.96500
   93    62    71    63.00000  120.00000
   93    96    97    35.00000  113.00000
   94    81    93    70.00000  119.01900
   94    98    99    80.00000  122.90000
   94    98   100    70.00000  116.60000
   98    94    95    35.00000  119.80000
   98   100   101    35.00000  109.50000
   98   100   102    35.00000  109.50000
   98   100   103    80.00000  111.20000
  100    98    99    80.00000  120.40000
  100   103   104    35.00000  109.50000
  100   103   105    35.00000  109.50000
  100   103   106    75.00000  113.01200
  102   100   101    33.00000  107.80000
  103   100   101    35.00000  109.50000
  103   100   102    35.00000  109.50000
  103   106   107    80.00000  111.20000
  103   106   111    80.00000  111.20000
  103   106   115    80.00000  111.20000
  105   103   104    35.00000  109.50000
  106   103   104    35.00000  109.50000
  106   103   105    35.00000  109.50000
  106   107   108    37.50000  110.70000
  106   107   109    37.50000  110.70000
  106   107   110    37.50000  110.70000
  106   111   112    37.50000  110.70000
  106   111   113    37.50000  110.70000
  106   111   114    37.50000  110.70000
  106   115   116    37.50000  110.70000
  106   115   117    37.50000  110.70000
  106   115   118    37.50000  110.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
  111   106   107    58.35000  112.70000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
  115   106   107    58.35000  112.70000
  115   106   111    58.35000  112.70000
  117   115   116    33.00000  107.80000
  118   115   116    33.00000  107.80000
  118   115   117    33.00000  107.80000
   78    72    76    70.00000  120.10000
   78    82    83    35.00000  109.50000
   78    82    84    35.00000  109.50000
   78    82    85    35.00000  109.50000
   78    86    87    35.00000  109.50000
   78    86    88    35.00000  109.50000
   78    86    89    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    78    82    50.00000  115.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   73    71    72    70.00000  120.00000
   73    79    80    37.50000  110.70000
   73    79    90    58.35000  112.70000
   75    73    74    33.00000  107.80000
   79    53    58    65.00000  116.34900
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    90    91    37.50000  110.70000
   79    90    92    37.50000  110.70000
   79    90    49    58.35000  112.70000
   90    79    80    37.50000  110.70000
   90    49    50    37.50000  110.70000
   90    49    54    58.35000  112.70000
   92    90    91    33.00000  107.80000
   49    44    48    70.00000  112.02700
   49    90    91    37.50000  110.70000
   49    90    92    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    60    80.00000  111.20000
   54    33    34    50.00000  109.50000
   54    33    38    58.35000  112.70000
   54    49    50    37.50000  110.70000
   54    60    61    35.00000  109.50000
   54    60    63    75.00000  113.01200
   54    60    67    75.00000  113.01200
   60    54    55    35.00000  109.50000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   63    60    61    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    60    61    35.00000  109.50000
   67    60    63    75.00000  113.01200
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   56    48    53    80.00000  121.38400
   51    44    48    90.00000  110.39200
   51    44    49    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  107.85200
   42    45    46    35.00000  119.80000
   42    45    47    35.00000  119.80000
   45    42    43    80.00000  122.90000
   47    45    46    35.00000  120.00000
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
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   73    79    90    49   0.56750  1.0 1.0
   73    79    90    49  -0.07550 -1.0 2.0
   73    79    90    49   0.20000  1.0 3.0
   74    73    79    53   0.15000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    90   0.15000  1.0 3.0
   75    73    79    53   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    90   0.15000  1.0 3.0
   79    53    58    59  -0.64400  1.0 1.0
   79    53    58    59   0.26850 -1.0 2.0
   79    53   -58    62   1.50000 -1.0 2.0
   79    90   -49    44   0.56750  1.0 1.0
   79    90   -49    44  -0.07550 -1.0 2.0
   79    90   -49    44   0.20000  1.0 3.0
   79    90    49    50   0.15000  1.0 3.0
   79    90    49    54   0.56750  1.0 1.0
   79    90    49    54  -0.07550 -1.0 2.0
   79    90    49    54   0.20000  1.0 3.0
   80    79    90    91   0.15000  1.0 3.0
   80    79    90    92   0.15000  1.0 3.0
   80    79    90    49   0.15000  1.0 3.0
   90    49    54    33   0.56750  1.0 1.0
   90    49    54    33  -0.07550 -1.0 2.0
   90    49    54    33   0.20000  1.0 3.0
   90    49    54    55   0.15000  1.0 3.0
   90    49    54    60   1.36600  1.0 1.0
   90    49    54    60  -0.11450 -1.0 2.0
   90    49    54    60   0.24250  1.0 3.0
   91    90    49    44   0.15000  1.0 3.0
   91    90    49    50   0.15000  1.0 3.0
   91    90    49    54   0.15000  1.0 3.0
   92    90    49    44   0.15000  1.0 3.0
   92    90    49    50   0.15000  1.0 3.0
   92    90    49    54   0.15000  1.0 3.0
   49    44   -48    53   0.09850  1.0 1.0
   49    44   -48    53   0.15250 -1.0 2.0
   49    44   -48    53  -0.50650  1.0 3.0
   49    44    48    56   0.09700  1.0 1.0
   49    44    48    56   0.15600 -1.0 2.0
   49    44    48    56  -0.50800  1.0 3.0
   49    44    51    52  -0.11600  1.0 1.0
   49    44    51    52  -0.09450 -1.0 2.0
   49    44    51    52   0.21250  1.0 3.0
   49    54    60    61   0.17350  1.0 3.0
   49    54    60    63   0.47100  1.0 1.0
   49    54    60    67   0.47100  1.0 1.0
   50    49    54    33   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    60   0.19200  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40  -0.95700  1.0 1.0
   54    33   -38    40  -0.18200 -1.0 2.0
   54    33   -38    40   0.29450  1.0 3.0
   54    33    38    42  -0.95700  1.0 1.0
   54    33    38    42  -0.18200 -1.0 2.0
   54    33    38    42   0.29450  1.0 3.0
   54    60    63    64   0.15000  1.0 3.0
   54    60    63    65   0.15000  1.0 3.0
   54    60    63    66   0.15000  1.0 3.0
   54    60    67    68   0.15000  1.0 3.0
   54    60    67    69   0.15000  1.0 3.0
   54    60    67    70   0.15000  1.0 3.0
   55    54    60    61   0.13050  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   55    54    60    67   0.15000  1.0 3.0
   61    60    63    64   0.13050  1.0 3.0
   61    60    63    65   0.13050  1.0 3.0
   61    60    63    66   0.13050  1.0 3.0
   61    60    67    68   0.13050  1.0 3.0
   61    60    67    69   0.13050  1.0 3.0
   61    60    67    70   0.13050  1.0 3.0
   63    60    67    68   0.15000  1.0 3.0
   63    60    67    69   0.15000  1.0 3.0
   63    60    67    70   0.15000  1.0 3.0
   67    60    63    64   0.15000  1.0 3.0
   67    60    63    65   0.15000  1.0 3.0
   67    60    63    66   0.15000  1.0 3.0
   56    48    53    58   7.00000 -1.0 2.0
   56    48    53    79   7.00000 -1.0 2.0
   51    44    48    53   0.67800  1.0 1.0
   51    44    48    53   0.47050 -1.0 2.0
   51    44    48    53  -0.62500  1.0 3.0
   51    44    48    56   0.09700  1.0 1.0
   51    44    48    56   0.15600 -1.0 2.0
   51    44    48    56  -0.50800  1.0 3.0
   51    44    49    90   0.86500  1.0 1.0
   51    44    49    90  -0.17500 -1.0 2.0
   51    44    49    90   0.20800  1.0 3.0
   51    44    49    50   0.23400  1.0 3.0
   51    44    49    54   0.86500  1.0 1.0
   51    44    49    54  -0.17500 -1.0 2.0
   51    44    49    54   0.20800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.65300  1.0 1.0
   42    38    40    44  -0.03850 -1.0 2.0
   42    38    40    44   0.33900  1.0 3.0
   43    42    45    46   2.45000 -1.0 2.0
   43    42    45    47   2.45000 -1.0 2.0
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
   38    44    40    41  10.50000 -1.0 2.0
   44    56    48    53   1.10000 -1.0 2.0
   58    79    53    48   1.10000 -1.0 2.0
   53    62    58    59  10.50000 -1.0 2.0
   71    93    62    58   4.00000 -1.0 2.0
   72    73    71    62   4.00000 -1.0 2.0
   76    78    72    71   4.00000 -1.0 2.0
   81    77    76    72   1.10000 -1.0 2.0
   93    94    81    76   4.00000 -1.0 2.0
   81    96    93    62   4.00000 -1.0 2.0
   95    98    94    81   1.00000 -1.0 2.0
   94   100    98    99  10.50000 -1.0 2.0
   86    72    78    82   1.00000 -1.0 2.0
   38    45    42    43  10.50000 -1.0 2.0
   47    42    45    46   1.00000 -1.0 2.0
END
