* LIGAND DATABASE FILE (OPLS2005)
*
001     119   123    223    347     641
    1     0 S   NP   _N1_     1    28.64830    97.09072   -26.06555
    2     1 S   H    _HN1     2     1.02777   120.84081  -104.87369
    3     1 S   H    _H1_     3     1.02958    75.18175    -2.10766
    4     1 S   H    _H2_     4     1.02836    31.93788  -178.51787
    5     1 S   CT   _CA1     5     1.50132   121.55670   102.99510
    6     5 S   HC   _HA1     6     1.09576   105.21226    92.84712
    7     5 S   CO3  _C1_     7     1.53785   112.32796   -27.33080
    8     7 S   O2Z  _O11     8     1.26366   114.99779   -44.66026
    9     7 S   O2Z  _O12     9     1.26234   114.92942   134.38674
   10     5 S   CT   _CB1    10     1.53093   107.41676  -149.26913
   11    10 S   HC   HB11    11     1.09828   109.32502   -50.57890
   12    10 S   HC   HB12    12     1.09816   110.43828    65.97389
   13    10 S   CT   _CG1    13     1.53020   112.66823  -171.64600
   14    13 S   HC   HG11    14     1.09595   110.48937   -64.43496
   15    13 S   HC   HG12    15     1.09657   109.91864    54.76437
   16    13 S   C    _CD1    16     1.51847   112.29803   175.12255
   17    16 S   O    _OE1    17     1.22758   123.25778     0.48698
   18    16 S   N    _N2_    18     1.38544   111.70891  -179.55063
   19    18 S   H    _HN2    19     1.01556   119.08990     4.34343
   20    18 S   CT1  _CA2    20     1.45818   122.91194   177.85625
   21    20 S   HC   _HA2    21     1.09717   108.84071    22.46009
   22    20 S   C    _C2_    22     1.52801   107.13225   -94.36630
   23    22 S   O    _O2_    23     1.22991   122.95310   -29.21695
   24    20 S   CT   _CB2    32     1.53098   112.21418   145.54656
   25    24 S   HC   HB21    33     1.09609   110.69981    50.63887
   26    24 S   HC   HB22    34     1.09358   109.99085   168.93343
   27    22 S   N    _N3_    24     1.38568   112.59570   153.23723
   28    27 S   H    _HN3    25     1.01777   120.27075     0.13988
   29    24 S   S    _SG2    35     1.83214   110.41220   -69.02136
   30    27 S   CT   _CA3    26     1.45336   122.34570   178.81634
   31    30 S   HC   HA31    27     1.09574   107.21354   -67.47035
   32    30 S   HC   HA32    28     1.09571   108.17444    48.78215
   33    29 S   CT   _C33    36     1.83805   101.29693  -146.03795
   34    33 S   OM   _O36    37     1.31921   110.73576   -58.70292
   35    30 S   CO3  _C3_    29     1.52865   114.58051   170.79438
   36    35 S   O2Z  _O31    30     1.26289   116.19939    -8.87192
   37    35 S   O2Z  _O32    31     1.26474   114.34188   171.41499
   38    33 S   CM   _C13    38     1.49608   109.28069  -178.04335
   39    38 S   CM   _C14    39     1.33158   113.56530  -130.33889
   40    39 S   CM   _C15    40     1.42940   113.71654    -0.54823
   41    39 S   NE   _N5_    87     1.35271   112.87215   179.29307
   42    41 S   H    _H16    88     1.01186   122.07871   174.02240
   43    40 S   CM   _C16    41     1.34508   126.73820  -171.73207
   44    33 S   CT   _C32    78     1.59040   117.09049    68.63712
   45    44 S   HC   _H7_    79     1.10053   111.68828  -113.21330
   46    41 S   CT   _C11    89     1.46328   111.60665     3.72662
   47    46 S   HC   _H3_    90     1.09740   108.98228  -121.93127
   48    43 S   CT   _C17    42     1.51869   125.49961  -179.31414
   49    48 S   HC   _H5_    43     1.09490   111.41718    34.44356
   50    44 S   CO4  _C34    80     1.53070   114.90362     8.20023
   51    50 S   O    _O37    81     1.22691   122.83462  -105.32184
   52    38 S   CT   _C12    91     1.50869   136.10209    46.87024
   53    52 S   HC   _H4_    92     1.09806   108.45390   -68.94190
   54    46 S   CT   _C10    97     1.53652   110.17186   117.16055
   55    54 S   HC   _H14    98     1.09656   110.36800   -61.63351
   56    54 S   HC   _H15    99     1.09674   109.79615  -179.04305
   57    48 S   CT   _C18    44     1.54191    99.48245   149.34979
   58    57 S   HC   _H6_    45     1.09961   108.80573   -86.78867
   59    48 S   CT   _C29    69     1.54270   109.78515   -87.45750
   60    59 S   HC   _H27    70     1.09695   110.82284   -77.68889
   61    59 S   HC   _H28    71     1.09854   109.54526    38.36821
   62    50 S   OS   _O38    82     1.36431   112.21184    73.85224
   63    52 S   CT   _C36    93     1.52299   114.20724    51.95406
   64    63 S   HC   _H34    94     1.09480   112.22801    54.73998
   65    63 S   HC   _H35    95     1.09544   110.71354   -65.28284
   66    63 S   HC   _H36    96     1.09471   110.77036   176.11889
   67    54 S   C5A  _C9_   100     1.49972   112.40464    60.04286
   68    57 S   CD   _C19    46     1.51481    99.96460    24.44576
   69    57 S   CT   _C28    65     1.51759   117.85053   149.28684
   70    69 S   HC   _H24    66     1.09414   112.39386   -61.16509
   71    69 S   HC   _H25    67     1.09574   110.67953   179.57572
   72    69 S   HC   _H26    68     1.09344   110.87245    61.25133
   73    59 S   CT   _C30    72     1.52880   112.83407   157.87982
   74    73 S   HC   _H29    73     1.09740   109.13906   -60.12497
   75    73 S   HC   _H30    74     1.09330   110.61573    57.36917
   76    62 S   CT   _C35    83     1.42979   115.32309  -179.22646
   77    76 S   HC   _H31    84     1.09321   108.08792   179.77619
   78    76 S   HC   _H32    85     1.09419   110.34689    61.09599
   79    76 S   HC   _H33    86     1.09421   110.26893   -61.56336
   80    67 S   C5BC _C6_   101     1.38631   130.86433  -102.24237
   81    43 S   NI   _N6_    47     1.37875   123.35155    -3.35112
   82    68 S   CM   _C20    48     1.47683   120.57864   167.04664
   83    82 S   HC   _H17    49     1.08354   116.10979    53.96341
   84    73 S   CO3  _C31    75     1.53292   115.41348   179.08828
   85    84 S   O2Z  _O35    76     1.26564   114.02538  -175.33704
   86    84 S   O2Z  _O34    77     1.26098   116.77556     4.66930
   87    80 S   C5BC _C7_   102     1.43690   107.10252   178.49910
   88    80 S   CT   _C5_   113     1.49745   126.26562    -0.66323
   89    88 S   HC   _H11   114     1.09592   110.14323    32.38202
   90    88 S   HC   _H12   115     1.09344   109.59281   148.59670
   91    82 S   CM   _C21    50     1.33902   121.22015  -124.56917
   92    87 S   C5A  _C8_   103     1.38866   107.21878    -0.01978
   93    87 S   CT   _C38   109     1.49004   126.09378  -179.04571
   94    93 S   HC   _H38   110     1.09461   110.09413    92.88747
   95    93 S   HC   _H39   111     1.09437   111.26347  -146.79971
   96    93 S   HC   _H40   112     1.09406   111.44906   -27.34401
   97    88 S   CT   _C4_   116     1.52061   112.41082   -89.70482
   98    97 S   HC   _H8_   117     1.09517   111.24478   -59.73144
   99    97 S   HC   _H9_   118     1.09455   110.25414  -179.63523
  100    97 S   HC   _H10   119     1.09520   111.21653    60.47357
  101    91 S   CM   _C24    51     1.45377   126.14628  -179.56389
  102    67 S   NA   _N4_   104     1.36960   121.47476    76.97777
  103   102 S   H    _H13   105     1.01091   124.94809     0.29805
  104    92 S   CO4  _C37   106     1.44220   129.65240  -178.91466
  105   104 S   O    _O39   107     1.22826   124.77345  -179.23613
  106   104 S   HC   _H37   108     1.10295   115.76752     0.90352
  107   101 S   CM   _C23    52     1.34454   109.99412  -177.49399
  108   101 S   CT   _C25    61     1.49352   121.89315     4.44056
  109   108 S   HC   _H18    62     1.09499   110.52450   -67.12736
  110   108 S   HC   _H19    63     1.09335   112.62354   172.37906
  111   108 S   HC   _H20    64     1.09547   110.65923    53.13614
  112   107 S   CD   _C22    53     1.49214   101.51592    -1.31581
  113   112 S   OM   _O33    54     1.24132   112.94494  -179.53860
  114   107 S   CM   _C26    56     1.44076   130.58635  -177.79114
  115   114 S   HC   _H21    57     1.08704   116.44712   130.82946
  116    91 S   NI   _N7_    55     1.37454   125.41001     1.65458
  117   114 S   CM   _C27    58     1.33826   124.81813   -51.49865
  118   117 S   HC   _H22    59     1.08482   120.24840  -178.79601
  119   117 S   HC   _H23    60     1.08473   122.07044     0.42978
  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
  15   7   2   1   1  17  15  16  12   4  15   8   3  13   7  17
   9   6   2   9   5  10   4   3  14   8  11   5   4   4   3   2
   1   1  11  10   5   2   1   1   5   4   3   3   2   1   1  16
   3   7   3   2   1   1  14   9   5   4  10   9   5   2   1   1
   3   2   1   1  11   4   1   2   1   1  12   6   2   1   1   5
   2   5   3   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    45    50    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    50    51    62    41    46    52    53    63  
   38    39    40    44    45    50    52  
   36    37  
   37  
    0  
   39    40    43    44    45    50    41    42    46    47    52    53    63    64    65    66    54  
   40    43    48    81    44    45    50    41    42    46    47    52    53    63    54  
   43    48    49    57    68    81    59    44    45    50    51    62    41    42    46    52  
   42    46    47    52    53    63    54    55    56    67    43    44  
   46    47    52    54  
   48    49    57    58    68    81    82    69    59    60    61    73    44    45    50  
   45    50    51    62    76    52    48    81  
   50    51    62  
   47    52    53    63    64    65    66    54    55    56    67    80   102  
   52    53    63    54    55    56    67  
   49    57    58    68    81    82    69    70    71    72    59    60    61    73    74    75    84  
   57    58    68    81    69    59    60    61    73  
   51    62    76    77    78    79  
   62    76  
   53    63    64    65    66    54    55    56    67  
   63    64    65    66    54  
   55    56    67    80    87    92   102   103    88    63  
   56    67    80   102  
   67    80   102  
   58    68    81    82    83    91    69    70    71    72    59    60    61    73  
   68    81    82    69    70    71    72    59  
   60    61    73    74    75    84    85    86    68    69    81  
   61    73    74    75    84  
   73    74    75    84  
   76    77    78    79  
   64    65    66  
   65    66  
   66  
    0  
   80    87    92   102   103   104    93    88    89    90    97  
   81    82    83    91   101   116    69    70    71    72  
   70    71    72    81    82  
   71    72  
   72  
    0  
   74    75    84    85    86  
   75    84    85    86  
   84    85    86  
   77    78    79  
   78    79  
   79  
    0  
   87    92   102   103   104    93    94    95    96    88    89    90    97    98    99   100  
   82    83    91  
   83    91   101   107   112   116   108  
   91   101   116  
   85    86  
   86  
    0  
   92   102   103   104   105   106    93    94    95    96    88    89    90    97  
   89    90    97    98    99   100    92    93   102  
   90    97    98    99   100  
   97    98    99   100  
  101   107   112   113   116   114   108   109   110   111  
  102   103   104   105   106    93    94    95    96  
   94    95    96   102   104  
   95    96  
   96  
    0  
   98    99   100  
   99   100  
  100  
    0  
  107   112   113   116   114   115   117   108   109   110   111  
  103   104   105   106  
  104  
  105   106  
  106  
    0  
  112   113   116   114   115   117   118   119   108   109   110   111  
  109   110   111   112   114   116  
  110   111  
  111  
    0  
  113   116   114   115   117  
  116   114  
  115   117   118   119   116  
  117   118   119  
    0  
  118   119  
  119  
    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   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   42   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   82   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   87   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   88   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   92   3.5500   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
   93   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  102   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
  103   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
  104   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
  106   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
  107   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   3.7500   0.1050   0.478000   2.0020   1.7750   0.023028004  -0.852763146
  113   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
  114   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  115   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  116   3.2800   0.1700  -0.912200   1.8540   1.6400   0.005000000   0.000000000
  117   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  118   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  119   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    44   268.000  1.529
   38    39   549.000  1.340
   38    52   317.000  1.510
   39    40   380.000  1.444
   39    41   425.000  1.378
   40    43   549.000  1.340
   40    44   317.000  1.510
   43    48   317.000  1.510
   43    81   405.000  1.380
   48    49   340.000  1.090
   48    57   268.000  1.529
   48    59   268.000  1.529
   57    58   340.000  1.090
   57    68   270.000  1.508
   57    69   268.000  1.529
   68    81   500.000  1.261
   68    82   320.000  1.464
   82    83   340.000  1.080
   82    91   549.000  1.340
   91   101   380.000  1.444
   91   116   405.000  1.380
  101   107   549.000  1.340
  101   108   317.000  1.510
  107   112   320.000  1.464
  107   114   380.000  1.444
  112   113   795.000  1.237
  112   116   500.000  1.261
  114   115   340.000  1.080
  114   117   549.000  1.340
  117   118   340.000  1.080
  117   119   340.000  1.080
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    84   317.000  1.522
   84    85   656.000  1.250
   84    86   656.000  1.250
   44    45   340.000  1.090
   44    50   317.000  1.522
   50    51   570.000  1.229
   50    62   214.000  1.327
   62    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   41    42   434.000  1.010
   41    46   382.000  1.448
   46    47   340.000  1.090
   46    52   268.000  1.529
   46    54   268.000  1.529
   52    53   340.000  1.090
   52    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    67   295.000  1.489
   67    80   546.000  1.367
   67   102   427.000  1.381
   80    87   469.000  1.424
   80    88   285.000  1.502
   87    92   546.000  1.367
   87    93   285.000  1.502
   92   102   427.000  1.381
   92   104   335.000  1.450
  102   103   434.000  1.010
  104   105   570.000  1.229
  104   106   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   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    44    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    52    65.00000  117.92700
   33    44    40    70.00000  112.02700
   33    44    45    37.50000  110.70000
   33    44    50    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    39    40    70.00000  123.01800
   38    39    41    70.00000  124.03900
   38    52    46    70.00000  112.02700
   38    52    53    35.00000  109.50000
   38    52    63    70.00000  112.02700
   39    40    43    70.00000  123.01800
   39    40    44    70.00000  124.00000
   39    41    42    35.00000  114.50000
   39    41    46    50.00000  121.00000
   40    43    48    70.00000  124.00000
   40    43    81    70.00000  120.83400
   40    44    45    35.00000  109.50000
   40    44    50    70.00000  109.06800
   43    48    49    35.00000  109.50000
   43    48    57    70.00000  112.02700
   43    48    59    70.00000  112.02700
   43    81    68    75.00000  115.77100
   48    57    58    37.50000  110.70000
   48    57    68    70.00000  111.76100
   48    57    69    58.35000  112.70000
   48    59    60    37.50000  110.70000
   48    59    61    37.50000  110.70000
   48    59    73    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    68    81    65.00000  122.10100
   57    68    82    65.00000  117.24000
   57    69    70    37.50000  110.70000
   57    69    71    37.50000  110.70000
   57    69    72    37.50000  110.70000
   68    57    58    45.00000  109.49600
   68    82    83    40.00000  114.85300
   68    82    91    60.00000  120.31500
   81    43    48    65.00000  119.96000
   82    68    81    70.00000  121.86000
   82    91   101    70.00000  123.01800
   82    91   116    70.00000  120.83400
   91    82    83    35.00000  120.00000
   91   101   107    70.00000  123.01800
   91   101   108    70.00000  124.00000
   91   116   112    75.00000  115.77100
  101   107   112    60.00000  120.31500
  101   107   114    70.00000  123.01800
  101   108   109    35.00000  109.50000
  101   108   110    35.00000  109.50000
  101   108   111    35.00000  109.50000
  107   112   113    90.00000  107.08000
  107   112   116    70.00000  121.86000
  107   114   115    35.00000  120.00000
  107   114   117    70.00000  123.01800
  116    91   101    70.00000  120.83400
  116   112   113    75.00000  134.47000
  114   107   112    60.00000  120.31500
  114   117   118    35.00000  120.00000
  114   117   119    35.00000  120.00000
  117   114   115    35.00000  120.00000
  119   117   118    35.00000  117.00000
  108   101   107    70.00000  124.00000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   69    57    58    37.50000  110.70000
   69    57    68    70.00000  111.76100
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   59    48    49    37.50000  110.70000
   59    48    57    58.35000  112.70000
   59    73    74    37.50000  110.70000
   59    73    75    37.50000  110.70000
   59    73    84    70.00000  109.69300
   61    59    60    33.00000  107.80000
   73    59    60    37.50000  110.70000
   73    59    61    37.50000  110.70000
   73    84    85    70.00000  117.00000
   73    84    86    70.00000  117.00000
   75    73    74    33.00000  107.80000
   84    73    74    35.00000  109.50000
   84    73    75    35.00000  109.50000
   86    84    85    80.00000  126.00000
   44    33    34    50.00000  109.50000
   44    33    38    70.00000  112.02700
   44    40    43    70.00000  124.00000
   44    50    51    80.00000  120.40000
   44    50    62    81.00000  111.40000
   50    44    45    35.00000  109.50000
   50    62    76    83.00000  116.90000
   62    50    51    83.00000  123.40000
   62    76    77    35.00000  109.50000
   62    76    78    35.00000  109.50000
   62    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   41    39    40    70.00000  124.03900
   41    46    47    35.00000  109.50000
   41    46    52    80.00000  111.61500
   41    46    54    80.00000  111.61500
   46    41    42    35.00000  112.50000
   46    52    53    37.50000  110.70000
   46    52    63    58.35000  112.70000
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    67    70.00000  113.44400
   52    38    39    70.00000  124.00000
   52    46    47    37.50000  110.70000
   52    63    64    37.50000  110.70000
   52    63    65    37.50000  110.70000
   52    63    66    37.50000  110.70000
   63    52    53    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    52    58.35000  112.70000
   54    67    80    50.00000  133.50000
   54    67   102    65.00000  122.56900
   56    54    55    33.00000  107.80000
   67    54    55    45.00000  110.47400
   67    54    56    45.00000  110.47400
   67    80    87    70.00000  107.30000
   67    80    88    60.00000  130.00000
   67   102    92    70.00000  109.80000
   67   102   103    35.00000  120.00000
   80    87    92    70.00000  107.30000
   80    87    93    60.00000  130.00000
   80    88    89    35.00000  109.50000
   80    88    90    35.00000  109.50000
   80    88    97    70.00000  112.17500
   87    92   102    70.00000  107.70000
   87    92   104    55.00000  130.80000
   87    93    94    35.00000  109.50000
   87    93    95    35.00000  109.50000
   87    93    96    35.00000  109.50000
   92   102   103    35.00000  120.00000
   92   104   105    80.00000  122.40000
   92   104   106    35.00000  115.00000
  102    67    80    70.00000  107.70000
  104    92   102    70.00000  119.02500
  106   104   105    35.00000  123.00000
   93    87    92    60.00000  130.00000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   88    80    87    60.00000  130.00000
   88    97    98    37.50000  110.70000
   88    97    99    37.50000  110.70000
   88    97   100    37.50000  110.70000
   90    88    89    33.00000  107.80000
   97    88    89    37.50000  110.70000
   97    88    90    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    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
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   41    46    54    67  -0.10950  1.0 3.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    52   0.00000  1.0 1.0
   42    41    46    54   0.00000  1.0 1.0
   46    52    63    64   0.15000  1.0 3.0
   46    52    63    65   0.15000  1.0 3.0
   46    52    63    66   0.15000  1.0 3.0
   46    54    67    80   0.04150 -1.0 2.0
   46    54    67   102   0.39850  1.0 1.0
   46    54    67   102   0.06450 -1.0 2.0
   46    54    67   102   0.32400  1.0 3.0
   47    46    52    38   0.15000  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    63   0.15000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    67   0.43200  1.0 3.0
   52    38    39    40   7.00000 -1.0 2.0
   52    38   -39    41   7.00000 -1.0 2.0
   52    46    54    55   0.15000  1.0 3.0
   52    46    54    56   0.15000  1.0 3.0
   52    46    54    67  -0.03700  1.0 1.0
   52    46    54    67   0.37200 -1.0 2.0
   52    46    54    67  -0.47300  1.0 3.0
   53    52    63    64   0.15000  1.0 3.0
   53    52    63    65   0.15000  1.0 3.0
   53    52    63    66   0.15000  1.0 3.0
   54    46    52    38   0.34400  1.0 1.0
   54    46    52    38   0.09450 -1.0 2.0
   54    46    52    38   0.11100  1.0 3.0
   54    46    52    53   0.15000  1.0 3.0
   54    46    52    63   0.56750  1.0 1.0
   54    46    52    63  -0.07550 -1.0 2.0
   54    46    52    63   0.20000  1.0 3.0
   54    67    80    87   3.62500 -1.0 2.0
   54    67    80    88   3.62500 -1.0 2.0
   54    67   102    92   3.62500 -1.0 2.0
   54    67   102   103   2.00000 -1.0 2.0
   55    54    67    80   0.00000  1.0 1.0
   55    54    67   102   0.00000  1.0 1.0
   56    54    67    80   0.00000  1.0 1.0
   56    54    67   102   0.00000  1.0 1.0
   67    80   -87    92   3.62500 -1.0 2.0
   67    80    87    93   3.62500 -1.0 2.0
   67    80    88    89   0.00000  1.0 1.0
   67    80    88    90   0.00000  1.0 1.0
   67    80    88    97   0.04150 -1.0 2.0
   80    67  -102    92   3.62500 -1.0 2.0
   80    67   102   103   2.00000 -1.0 2.0
   80    87   -92   102   3.62500 -1.0 2.0
   80    87    92   104   3.62500 -1.0 2.0
   80    87    93    94   0.00000  1.0 1.0
   80    87    93    95   0.00000  1.0 1.0
   80    87    93    96   0.00000  1.0 1.0
   80    88    97    98   0.43200  1.0 3.0
   80    88    97    99   0.43200  1.0 3.0
   80    88    97   100   0.43200  1.0 3.0
   87    80    88    89   0.00000  1.0 1.0
   87    80    88    90   0.00000  1.0 1.0
   87    80    88    97   0.04150 -1.0 2.0
   87    92  -102    67   3.62500 -1.0 2.0
   87    92   102   103   2.00000 -1.0 2.0
   87    92   104   105   1.05000 -1.0 2.0
   87    92   104   106   0.56600 -1.0 2.0
   92    87    93    94   0.00000  1.0 1.0
   92    87    93    95   0.00000  1.0 1.0
   92    87    93    96   0.00000  1.0 1.0
  102    67   -80    87   3.62500 -1.0 2.0
  102    67    80    88   3.62500 -1.0 2.0
  102    92   104   105   1.85000 -1.0 2.0
  102    92   104   106   0.56600 -1.0 2.0
  104    92   102    67   3.62500 -1.0 2.0
  104    92   102   103   2.00000 -1.0 2.0
   93    87    92   102   3.62500 -1.0 2.0
   93    87    92   104   3.62500 -1.0 2.0
   88    80    87    92   3.62500 -1.0 2.0
   88    80    87    93   3.62500 -1.0 2.0
   89    88    97    98   0.15000  1.0 3.0
   89    88    97    99   0.15000  1.0 3.0
   89    88    97   100   0.15000  1.0 3.0
   90    88    97    98   0.15000  1.0 3.0
   90    88    97    99   0.15000  1.0 3.0
   90    88    97   100   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    52    38    39   1.10000 -1.0 2.0
   40    41    39    38   1.10000 -1.0 2.0
   39    44    40    43   1.10000 -1.0 2.0
   48    81    43    40   1.10000 -1.0 2.0
   57    82    68    81  10.50000 -1.0 2.0
   68    83    82    91   1.10000 -1.0 2.0
  101   116    91    82   1.10000 -1.0 2.0
   91   108   101   107   1.10000 -1.0 2.0
  112   114   107   101   1.10000 -1.0 2.0
  107   113   112   116  10.50000 -1.0 2.0
  107   115   114   117  15.00000 -1.0 2.0
  118   119   117   114  15.00000 -1.0 2.0
   85    73    84    86  10.50000 -1.0 2.0
   44    62    50    51  10.50000 -1.0 2.0
   42    39    41    46   1.00000 -1.0 2.0
   80   102    67    54   4.00000 -1.0 2.0
   87    88    80    67   4.00000 -1.0 2.0
   92    93    87    80   4.00000 -1.0 2.0
  104   102    92    87   4.00000 -1.0 2.0
  103    67   102    92   1.00000 -1.0 2.0
   92   106   104   105  10.50000 -1.0 2.0
END
