* LIGAND DATABASE FILE (OPLS2005)
*
001     117   120    220    346     653
    1     0 S   NP   _N1_     1    28.60642    96.43038   -20.11527
    2     1 S   H    _HN1     2     1.02827    47.39532   144.22495
    3     1 S   H    _H1_     3     1.02784    87.13322   -98.15357
    4     1 S   H    _H2_     4     1.02944    74.35213    11.78007
    5     1 S   CT   _CA1     5     1.50176   156.11090   117.03444
    6     5 S   HC   _HA1     6     1.09580   105.14673    80.72760
    7     5 S   CO3  _C1_     7     1.53866   111.93879   -39.28821
    8     7 S   O2Z  _O11     8     1.26383   115.01398   -51.19759
    9     7 S   O2Z  _O12     9     1.26216   114.89972   127.11810
   10     5 S   CT   _CB1    10     1.53048   107.28785  -161.55386
   11    10 S   HC   HB11    11     1.09839   109.50236   -48.84493
   12    10 S   HC   HB12    12     1.09805   110.48304    67.79645
   13    10 S   CT   _CG1    13     1.52954   112.52580  -169.70629
   14    13 S   HC   HG11    14     1.09552   110.51436   -63.91375
   15    13 S   HC   HG12    15     1.09653   109.88197    55.30539
   16    13 S   C    _CD1    16     1.51837   112.02463   175.92648
   17    16 S   O    _OE1    17     1.22763   123.22221     8.07078
   18    16 S   N    _N2_    18     1.38507   111.79788  -172.41863
   19    18 S   H    _HN2    19     1.01788   119.07713     1.37216
   20    18 S   CT1  _CA2    20     1.46261   123.71342  -177.93797
   21    20 S   HC   _HA2    21     1.09741   109.02843     6.61871
   22    20 S   C    _C2_    22     1.53489   109.53699  -109.26989
   23    22 S   O    _O2_    23     1.23106   122.12372  -151.48177
   24    20 S   CT   _CB2    32     1.53611   111.33868   128.01502
   25    24 S   HC   HB21    33     1.09095   109.78043    64.86657
   26    24 S   HC   HB22    34     1.09573   110.06123  -177.74580
   27    22 S   N    _N3_    24     1.38302   113.96825    36.16694
   28    27 S   H    _HN3    25     1.01569   119.52912    -4.13531
   29    24 S   S    _SG2    35     1.83056   110.50700   -59.29966
   30    27 S   CT   _CA3    26     1.45269   123.14625   176.88134
   31    30 S   HC   HA31    27     1.09555   107.58692   -62.17079
   32    30 S   HC   HA32    28     1.09560   107.86727    54.21092
   33    29 S   CT   _C25    36     1.86764   104.44574   142.72209
   34    33 S   OM   _O38    37     1.32493   110.32487    43.02739
   35    30 S   CO3  _C3_    29     1.52940   114.19307   176.15162
   36    35 S   O2Z  _O31    30     1.26365   116.12435    -0.49653
   37    35 S   O2Z  _O32    31     1.26446   114.39078   179.54072
   38    33 S   CT   _C26    38     1.57143   112.56986   -77.54738
   39    38 S   HC   _H6_    39     1.10311   107.77514  -173.82467
   40    38 S   CO4  _C27    40     1.53023   112.58163   -60.63149
   41    40 S   O    _O36    41     1.23445   120.60397   149.33391
   42    38 S   C    _C28   113     1.54441   116.24978    69.69134
   43    42 S   O    _O37   114     1.22919   124.05164   -96.90064
   44    40 S   CT   _C19    42     1.53205   118.19857   -32.32367
   45    42 S   N    _N6_   115     1.37717   113.87329    84.06640
   46    45 S   H    _H27   116     1.01460   121.73708    -6.24742
   47    45 S   H    _H28   117     1.01322   120.59309   179.72732
   48    44 S   CM   _C18    43     1.52669   108.99390  -147.22255
   49    44 S   CT   _C20    96     1.54261   112.13459   -21.62817
   50    49 S   HC   _H3_    97     1.09788   104.03814   165.61719
   51    44 S   OH   _O39   111     1.42668   107.54874    97.22227
   52    51 S   HO   _H35   112     0.97405   107.59156    68.03290
   53    48 S   CM   _C17    44     1.34982   123.52725   110.14385
   54    33 S   CT   _C24    98     1.61613   110.34350   161.17162
   55    54 S   HC   _H5_    99     1.10401   104.64639  -159.47290
   56    48 S   OH   _O40   109     1.38670   112.90665   -72.35108
   57    56 S   HO   _H36   110     0.97302   109.33853  -179.95577
   58    53 S   CO4  _C16    45     1.49890   121.23318   177.45301
   59    58 S   O    _O35    46     1.22680   121.81313    -7.78354
   60    54 S   NT   _N7_   100     1.51497   119.31537   -44.23206
   61    58 S   CA   _C14    47     1.49182   118.34940   172.72018
   62    60 S   CT   _C29   101     1.47005   114.32446   -46.36898
   63    62 S   HC   _H29   102     1.09741   110.37325  -177.28171
   64    62 S   HC   _H30   103     1.09137   112.82251    66.51435
   65    62 S   HC   _H31   104     1.09602   112.13938   -57.45825
   66    60 S   CT   _C30   105     1.47678   111.89451  -167.26739
   67    66 S   HC   _H32   106     1.09694   110.44724   179.94405
   68    66 S   HC   _H33   107     1.09630   111.78422    59.71956
   69    66 S   HC   _H34   108     1.09235   113.19701   -62.87116
   70    61 S   CA   _C13    48     1.40936   119.83428   -15.02703
   71    70 S   CA   _C12    49     1.41776   119.98276  -177.50629
   72    70 S   CT   _C23    88     1.51251   119.36430     1.40681
   73    72 S   HC   _H25    89     1.09636   110.56104   154.67770
   74    72 S   HC   _H26    90     1.09776   108.42744   -87.59435
   75    71 S   CA   _C11    50     1.41038   118.83501    -1.95124
   76    75 S   HA   _H21    51     1.08422   117.86088   179.27449
   77    71 S   NE   _N8_    79     1.40341   120.67886   176.99196
   78    53 S   CT   _C22    91     1.50204   122.56462    -0.28324
   79    78 S   HC   _H4_    92     1.10035   107.01774   104.29941
   80    75 S   CA   _C10    52     1.39560   121.66166     0.85775
   81    77 S   CT   _C31    80     1.45876   114.97097   -81.36924
   82    81 S   HC   _H37    81     1.09538   110.25968   168.88745
   83    81 S   HC   _H38    82     1.09484   112.09810    49.61236
   84    81 S   HC   _H39    83     1.09585   110.69612   -71.59166
   85    77 S   CT   _C32    84     1.45713   117.98617   134.27758
   86    85 S   HC   _H40    85     1.09547   109.95632  -162.96192
   87    85 S   HC   _H41    86     1.09522   111.57565    77.51917
   88    85 S   HC   _H42    87     1.09579   111.17016   -44.48524
   89    78 S   CT   _C21    93     1.53442   113.36911   -14.14217
   90    89 S   HC   _H23    94     1.09733   108.23704   165.36681
   91    89 S   HC   _H24    95     1.09689   109.99712   -78.92253
   92    61 S   CA   _C15    53     1.40606   120.61460   165.86510
   93    80 S   N    _N5_    56     1.41728   123.87233   179.97202
   94    93 S   H    _H20    57     1.01864   114.03800  -179.10474
   95    92 S   OH   _O34    54     1.37531   122.49045    -1.47936
   96    95 S   HO   _H22    55     0.97386   109.15051     3.87186
   97    93 S   C    _C9_    58     1.38828   128.02920     1.33662
   98    97 S   O    _O33    59     1.22714   127.63592     0.36045
   99    97 S   CT1  _C8_    60     1.51793   111.08282  -179.76845
  100    99 S   HC   _H18    61     1.09292   109.39303    60.70057
  101    99 S   HC   _H19    62     1.09291   109.36801   -61.38379
  102    99 S   NP   _N4_    63     1.50234   110.75829   179.65965
  103   102 S   H    _H16    64     1.03053   107.58815   -56.11528
  104   102 S   H    _H17    65     1.03055   107.58282    56.01147
  105   102 S   CT   _C5_    66     1.51497   118.92909   179.94405
  106   105 S   CT   _C4_    67     1.53522   106.26189   180.00000
  107   106 S   HC   _H7_    68     1.09610   111.38711   -60.15602
  108   106 S   HC   _H8_    69     1.09610   111.38673    60.15329
  109   106 S   HC   _H9_    70     1.09591   110.99436   180.00000
  110   105 S   CT   _C6_    71     1.53033   109.59704   -61.38540
  111   110 S   HC   _H10    72     1.09497   111.92335    67.63973
  112   110 S   HC   _H11    73     1.09579   111.42633   -53.40676
  113   110 S   HC   _H12    74     1.09611   110.72119  -173.12534
  114   105 S   CT   _C7_    75     1.53032   109.59717    61.35688
  115   114 S   HC   _H13    76     1.09497   111.92256   -67.63247
  116   114 S   HC   _H14    77     1.09579   111.42615    53.41335
  117   114 S   HC   _H15    78     1.09612   110.72119   173.13230
  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
  17   8   2   1   1  15   7  14   5   6   3  16   2   1   1  15
  16   8   5   1  15  14   4   3   1  11   4   9  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    89    49    50    54    55    60    62    66    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    89    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    78    89    90    91    49    50    54    55    60    56    57    51    52  
   46    47  
   47  
    0  
   53    58    59    61    72    78    79    89    49    50    54    56    57    51    52  
   50    54    55    60    62    66    56    51    52    53    72    78    79    89    90    91  
   54    55    60    51    78    89    90    91  
   52    53    54    56    89  
    0  
   58    59    61    70    92    72    73    74    78    79    89    90    91    56    57  
   55    60    62    63    64    65    66    67    68    69    78    89    90    91  
   60    62    66    89  
   57    58    78  
    0  
   59    61    70    71    80    92    95    72    78    79    89  
   61    70    92    78  
   62    63    64    65    66    67    68    69    89  
   70    71    75    80    92    95    96    93    77    72    73    74    78  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    75    76    80    92    95    77    81    85    72    73    74    78    79    89  
   75    76    80    92    93    77    81    82    83    84    85    86    87    88    72    73    74    78  
   73    74    78    79    89    90    91    75    77    92  
   74    78    79    89  
   78    79    89  
   76    80    92    95    93    94    97    77    81    85  
   80    92    93    77  
   81    82    83    84    85    86    87    88    80  
   79    89    90    91  
   89    90    91  
   92    95    96    93    94    97    98    99  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    0  
   90    91  
   91  
    0  
   95    96    93    94    97  
   94    97    98    99   100   101   102    95  
   97    98    99  
   96  
    0  
   98    99   100   101   102   103   104   105  
   99   100   101   102  
  100   101   102   103   104   105   106   110   114  
  101   102   103   104   105  
  102   103   104   105  
  103   104   105   106   107   108   109   110   111   112   113   114   115   116   117  
  104   105   106   110   114  
  105   106   110   114  
  106   107   108   109   110   111   112   113   114   115   116   117  
  107   108   109   110   111   112   113   114   115   116   117  
  108   109   110   114  
  109   110   114  
  110   114  
  111   112   113   114   115   116   117  
  112   113   114  
  113   114  
  114  
  115   116   117  
  116   117  
  117  
    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   1.3810   1.2100   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   1.4250   1.2500   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   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   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   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   93   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   94   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   95   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   99   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  102   3.2500   0.1700  -0.032500   2.1950   1.9500   0.003973653   1.685851020
  103   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
  104   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
  105   3.5000   0.0660   0.290000   1.9750   1.7500   0.005000000  -0.741685710
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  115   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  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
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    78   317.000  1.510
   58    59   570.000  1.229
   58    61   310.000  1.470
   61    70   469.000  1.400
   61    92   469.000  1.400
   70    71   469.000  1.400
   70    72   317.000  1.510
   71    75   469.000  1.400
   71    77   481.000  1.340
   75    76   367.000  1.080
   75    80   469.000  1.400
   80    92   469.000  1.400
   80    93   360.000  1.404
   92    95   450.000  1.364
   95    96   553.000  0.945
   93    94   434.000  1.010
   93    97   490.000  1.335
   97    98   570.000  1.229
   97    99   317.000  1.522
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   367.000  1.471
  102   103   434.000  1.010
  102   104   434.000  1.010
  102   105   367.000  1.471
  105   106   268.000  1.529
  105   110   268.000  1.529
  105   114   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
  114   115   340.000  1.090
  114   116   340.000  1.090
  114   117   340.000  1.090
   77    81   382.000  1.448
   77    85   382.000  1.448
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    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   382.000  1.448
   60    62   382.000  1.448
   60    66   382.000  1.448
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    56.20000  109.47000
   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    89    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    78    70.00000  124.00000
   48    56    57    70.00000  107.45700
   53    58    59    80.00000  123.72100
   53    58    61    65.00000  117.02400
   53    78    72    70.00000  112.02700
   53    78    79    35.00000  109.50000
   53    78    89    70.00000  112.02700
   58    61    70    60.00000  119.52600
   58    61    92    60.00000  119.52600
   61    58    59    75.00000  123.78400
   61    70    71    63.00000  120.00000
   61    70    72    70.00000  120.00000
   61    92    80    63.00000  120.00000
   61    92    95    70.00000  120.00000
   70    71    75    63.00000  120.00000
   70    71    77    70.00000  120.10000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    78    70.00000  112.17500
   71    75    76    35.00000  120.00000
   71    75    80    63.00000  120.00000
   71    77    81    50.00000  120.00000
   71    77    85    50.00000  120.00000
   75    80    92    63.00000  120.00000
   75    80    93    70.00000  119.01900
   80    75    76    35.00000  120.00000
   80    92    95    70.00000  120.00000
   80    93    94    45.00000  118.23600
   80    93    97    65.00000  121.96500
   92    61    70    63.00000  120.00000
   92    95    96    35.00000  113.00000
   93    80    92    70.00000  119.01900
   93    97    98    80.00000  122.90000
   93    97    99    70.00000  116.60000
   97    93    94    35.00000  119.80000
   97    99   100    35.00000  109.50000
   97    99   101    35.00000  109.50000
   97    99   102    80.00000  111.20000
   99    97    98    80.00000  120.40000
   99   102   103    35.00000  109.50000
   99   102   104    35.00000  109.50000
   99   102   105    75.00000  113.01200
  101    99   100    33.00000  107.80000
  102    99   100    35.00000  109.50000
  102    99   101    35.00000  109.50000
  102   105   106    80.00000  111.20000
  102   105   110    80.00000  111.20000
  102   105   114    80.00000  111.20000
  104   102   103    35.00000  109.50000
  105   102   103    35.00000  109.50000
  105   102   104    35.00000  109.50000
  105   106   107    37.50000  110.70000
  105   106   108    37.50000  110.70000
  105   106   109    37.50000  110.70000
  105   110   111    37.50000  110.70000
  105   110   112    37.50000  110.70000
  105   110   113    37.50000  110.70000
  105   114   115    37.50000  110.70000
  105   114   116    37.50000  110.70000
  105   114   117    37.50000  110.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  110   105   106    58.35000  112.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
  114   105   106    58.35000  112.70000
  114   105   110    58.35000  112.70000
  116   114   115    33.00000  107.80000
  117   114   115    33.00000  107.80000
  117   114   116    33.00000  107.80000
   77    71    75    70.00000  120.10000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   77    85    86    35.00000  109.50000
   77    85    87    35.00000  109.50000
   77    85    88    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    77    81    50.00000  115.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   72    70    71    70.00000  120.00000
   72    78    79    37.50000  110.70000
   72    78    89    58.35000  112.70000
   74    72    73    33.00000  107.80000
   78    53    58    65.00000  116.34900
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    89    90    37.50000  110.70000
   78    89    91    37.50000  110.70000
   78    89    49    58.35000  112.70000
   89    78    79    37.50000  110.70000
   89    49    50    37.50000  110.70000
   89    49    54    58.35000  112.70000
   91    89    90    33.00000  107.80000
   49    44    48    70.00000  112.02700
   49    89    90    37.50000  110.70000
   49    89    91    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    60    56.20000  109.47000
   54    33    34    50.00000  109.50000
   54    33    38    58.35000  112.70000
   54    49    50    37.50000  110.70000
   54    60    62    51.80000  107.20000
   54    60    66    51.80000  107.20000
   60    54    55    35.00000  109.50000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    35.00000  109.50000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    69    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    60    62    51.80000  107.20000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    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
    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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   74    72    78    79   0.15000  1.0 3.0
   74    72    78    89   0.15000  1.0 3.0
   78    53    58    59  -0.64400  1.0 1.0
   78    53    58    59   0.26850 -1.0 2.0
   78    53   -58    61   1.50000 -1.0 2.0
   78    89   -49    44   0.56750  1.0 1.0
   78    89   -49    44  -0.07550 -1.0 2.0
   78    89   -49    44   0.20000  1.0 3.0
   78    89    49    50   0.15000  1.0 3.0
   78    89    49    54   0.56750  1.0 1.0
   78    89    49    54  -0.07550 -1.0 2.0
   78    89    49    54   0.20000  1.0 3.0
   79    78    89    90   0.15000  1.0 3.0
   79    78    89    91   0.15000  1.0 3.0
   79    78    89    49   0.15000  1.0 3.0
   89    49    54    33   0.56750  1.0 1.0
   89    49    54    33  -0.07550 -1.0 2.0
   89    49    54    33   0.20000  1.0 3.0
   89    49    54    55   0.15000  1.0 3.0
   89    49    54    60   1.85550  1.0 1.0
   89    49    54    60  -0.84100 -1.0 2.0
   90    89    49    44   0.15000  1.0 3.0
   90    89    49    50   0.15000  1.0 3.0
   90    89    49    54   0.15000  1.0 3.0
   91    89    49    44   0.15000  1.0 3.0
   91    89    49    50   0.15000  1.0 3.0
   91    89    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    62   0.23450  1.0 1.0
   49    54    60    62   0.02050 -1.0 2.0
   49    54    60    62   0.25250  1.0 3.0
   49    54    60    66   0.23450  1.0 1.0
   49    54    60    66   0.02050 -1.0 2.0
   49    54    60    66   0.25250  1.0 3.0
   50    49    54    33   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    60   0.15000  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    62    63   0.28000  1.0 3.0
   54    60    62    64   0.28000  1.0 3.0
   54    60    62    65   0.28000  1.0 3.0
   54    60    66    67   0.28000  1.0 3.0
   54    60    66    68   0.28000  1.0 3.0
   54    60    66    69   0.28000  1.0 3.0
   55    54    60    62   0.28000  1.0 3.0
   55    54    60    66   0.28000  1.0 3.0
   62    60    66    67   0.28000  1.0 3.0
   62    60    66    68   0.28000  1.0 3.0
   62    60    66    69   0.28000  1.0 3.0
   66    60    62    63   0.28000  1.0 3.0
   66    60    62    64   0.28000  1.0 3.0
   66    60    62    65   0.28000  1.0 3.0
   56    48    53    58   7.00000 -1.0 2.0
   56    48    53    78   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    89   0.86500  1.0 1.0
   51    44    49    89  -0.17500 -1.0 2.0
   51    44    49    89   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    78    53    48   1.10000 -1.0 2.0
   53    61    58    59  10.50000 -1.0 2.0
   70    92    61    58   4.00000 -1.0 2.0
   71    72    70    61   4.00000 -1.0 2.0
   75    77    71    70   4.00000 -1.0 2.0
   80    76    75    71   1.10000 -1.0 2.0
   92    93    80    75   4.00000 -1.0 2.0
   80    95    92    61   4.00000 -1.0 2.0
   94    97    93    80   1.00000 -1.0 2.0
   93    99    97    98  10.50000 -1.0 2.0
   85    71    77    81   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
