* LIGAND DATABASE FILE (OPLS2005)
*
001     118   122    220    341     630
    1     0 S   NP   _N1_     1    29.37076    99.16171   -20.14668
    2     1 S   H    _HN1     2     1.02949    61.53827    22.11350
    3     1 S   H    _H1_     3     1.02829    63.83103   151.87782
    4     1 S   H    _H2_     4     1.02785    82.14962   -93.73309
    5     1 S   CT   _CA1     5     1.50122   165.61961    80.98626
    6     5 S   HC   _HA1     6     1.09574   105.21012   124.40100
    7     5 S   CO3  _C1_     7     1.53833   112.28637     4.20137
    8     7 S   O2Z  _O11     8     1.26372   115.02669   -45.74786
    9     7 S   O2Z  _O12     9     1.26233   114.98338   133.26511
   10     5 S   CT   _CB1    10     1.53094   107.38457  -117.69372
   11    10 S   HC   HB11    11     1.09825   109.47865   -49.69982
   12    10 S   HC   HB12    12     1.09811   110.44177    66.96615
   13    10 S   CT   _CG1    13     1.52922   112.49273  -170.67738
   14    13 S   HC   HG11    14     1.09476   110.42015   -62.93346
   15    13 S   HC   HG12    15     1.09661   109.91964    56.15841
   16    13 S   C    _CD1    16     1.51787   112.40373   176.62200
   17    16 S   O    _OE1    17     1.22724   123.34250     0.22728
   18    16 S   N    _N2_    18     1.38590   111.56528  -179.36882
   19    18 S   H    _HN2    19     1.01673   118.84544     0.86638
   20    18 S   CT1  _CA2    20     1.46287   123.64388   179.00732
   21    20 S   HC   _HA2    21     1.09725   109.33288     6.15259
   22    20 S   C    _C2_    22     1.53582   109.26344  -109.66845
   23    22 S   O    _O2_    23     1.23095   122.13547  -151.45179
   24    20 S   CT   _CB2    32     1.53393   110.94542   128.10141
   25    24 S   HC   HB21    33     1.09314   108.80695    56.95880
   26    24 S   HC   HB22    34     1.09497   110.74237   175.07192
   27    22 S   N    _N3_    24     1.38285   113.97983    36.14051
   28    27 S   H    _HN3    25     1.01562   119.57261    -3.79695
   29    24 S   S    _SG2    35     1.83310   110.85155   -65.88406
   30    27 S   CT   _CA3    26     1.45281   123.17338   177.05629
   31    30 S   HC   HA31    27     1.09551   107.54926   -63.50610
   32    30 S   HC   HA32    28     1.09559   107.93017    52.91057
   33    29 S   CT   _C35    36     1.82224   102.52333   147.34721
   34    33 S   OM   _O38    37     1.31466   110.52106   175.96371
   35    30 S   CO3  _C3_    29     1.52947   114.12741   174.88255
   36    35 S   O2Z  _O31    30     1.26371   116.08232    -0.34943
   37    35 S   O2Z  _O32    31     1.26437   114.40534   179.69610
   38    33 S   CM   _C13    38     1.49228   113.01190    52.93584
   39    38 S   CM   _C14    39     1.33474   110.21528  -120.82926
   40    39 S   CM   _C15    40     1.43330   111.61735     0.42058
   41    39 S   NE   _N5_    86     1.35314   113.01053   173.75327
   42    41 S   H    _H15    87     1.01267   121.40778  -161.89228
   43    40 S   CD   _C16    41     1.47397   122.37267  -179.92598
   44    33 S   CM   _C32    78     1.53735   112.65957   -59.88952
   45    41 S   CT   _C11    88     1.46789   110.63651    -3.92421
   46    45 S   HC   _H3_    89     1.09849   108.03318  -107.24488
   47    43 S   CT   _C17    42     1.51779   122.23637   140.21928
   48    47 S   HC   _H5_    43     1.09343   110.82496    53.99011
   49    44 S   CO4  _C33    79     1.47007   124.86846   -50.18732
   50    49 S   O    _O36    80     1.22315   123.14203   119.93242
   51    38 S   CT   _C12    90     1.49882   138.48325    51.74452
   52    51 S   HC   _H4_    91     1.09665   110.02314   -53.27732
   53    45 S   CT   _C10    96     1.53148   110.50189   132.07452
   54    53 S   HC   _H13    97     1.09563   110.42773   -53.61445
   55    53 S   HC   _H14    98     1.09698   109.65308  -171.04064
   56    47 S   CT   _C18    44     1.53907    99.43927   167.46168
   57    56 S   HC   _H6_    45     1.10059   107.31249   -89.45464
   58    47 S   CT   _C29    69     1.53871   112.07198   -66.66477
   59    58 S   HC   _H26    70     1.09859   108.06885    71.93572
   60    58 S   HC   _H27    71     1.09678   108.78616  -174.11943
   61    49 S   OS   _O37    81     1.35562   109.87730   -60.28119
   62    51 S   CT   _C36    92     1.52354   112.29633    68.17676
   63    62 S   HC   _H33    93     1.09533   111.99235    56.58573
   64    62 S   HC   _H34    94     1.09550   110.75779   -63.52927
   65    62 S   HC   _H35    95     1.09440   110.97922   177.89960
   66    53 S   C5A  _C9_    99     1.50173   112.53350    69.28580
   67    56 S   CM   _C19    46     1.51324   101.35568    21.86318
   68    56 S   CT   _C28    65     1.52419   115.91624   151.00307
   69    68 S   HC   _H23    66     1.09328   112.74616   -68.51639
   70    68 S   HC   _H24    67     1.09563   110.60170   171.36228
   71    68 S   HC   _H25    68     1.09510   110.56978    52.87104
   72    58 S   CT   _C30    72     1.52977   116.50561   -49.44126
   73    72 S   HC   _H28    73     1.09418   110.76613   -52.18397
   74    72 S   HC   _H29    74     1.09606   109.75855    66.08153
   75    61 S   CT   _C34    82     1.43027   115.49019   179.77706
   76    75 S   HC   _H30    83     1.09326   108.08130   169.86736
   77    75 S   HC   _H31    84     1.09445   110.96755    50.97981
   78    75 S   HC   _H32    85     1.09320   109.72277   -71.76801
   79    66 S   C5BC _C6_   100     1.38811   132.11852  -108.84011
   80    43 S   NI   _N6_    47     1.29905   122.72851   -35.47913
   81    67 S   CM   _C20    48     1.34233   125.11805   153.74568
   82    81 S   HC   _H16    49     1.08337   119.78070     1.30955
   83    72 S   CO3  _C31    75     1.53394   114.85783  -173.56508
   84    83 S   O2Z  _O35    76     1.26541   114.07234   174.82896
   85    83 S   O2Z  _O34    77     1.26134   116.74427    -5.07466
   86    79 S   C5BC _C7_   101     1.43977   106.93571  -178.05962
   87    79 S   CT   _C5_   112     1.49885   126.90045     0.81877
   88    87 S   HC   _H10   113     1.09673   109.24052  -137.06034
   89    87 S   HC   _H11   114     1.09544   110.38697   -20.99821
   90    81 S   CD   _C21    50     1.48232   122.99828  -177.91306
   91    86 S   C5A  _C8_   102     1.38764   107.36091    -0.80235
   92    86 S   CT   _C38   108     1.48940   126.78222   178.42381
   93    92 S   HC   _H37   109     1.09418   110.76435   136.62345
   94    92 S   HC   _H38   110     1.09476   110.02247  -103.63846
   95    92 S   HC   _H39   111     1.09307   112.10335    16.56731
   96    87 S   CT   _C4_   115     1.52118   112.83328   101.23214
   97    96 S   HC   _H7_   116     1.09322   111.37425   -60.68973
   98    96 S   HC   _H8_   117     1.09400   110.19870   179.39867
   99    96 S   HC   _H9_   118     1.09404   111.53062    59.70499
  100    90 S   CM   _C24    51     1.47385   119.18136   162.05267
  101    66 S   NA   _N4_   103     1.37159   120.34694    72.43193
  102   101 S   H    _H12   104     1.01090   124.84000    -1.08822
  103    91 S   CO4  _C37   105     1.44217   129.61876  -179.75691
  104   103 S   O    _O39   106     1.22824   124.80060  -178.90514
  105   103 S   HC   _H36   107     1.10308   115.70775     0.88999
  106   100 S   CM   _C23    52     1.34062   103.72075  -179.41717
  107   100 S   CT   _C25    61     1.48374   125.28673     1.34959
  108   107 S   HC   _H17    62     1.09457   110.50226   -63.42341
  109   107 S   HC   _H18    63     1.09312   112.48795   176.14923
  110   107 S   HC   _H19    64     1.09474   110.59651    56.89357
  111   106 S   C    _C22    53     1.48617   107.56341    -2.21028
  112   111 S   O    _O33    54     1.22135   124.56567  -177.90781
  113   106 S   CM   _C26    56     1.43824   130.41739  -178.48561
  114   113 S   HC   _H20    57     1.08745   116.15128   135.11904
  115    90 S   NI   _N7_    55     1.29598   127.06802   -19.50077
  116   113 S   CM   _C27    58     1.33801   125.17385   -47.69221
  117   116 S   HC   _H21    59     1.08510   120.22250  -178.59361
  118   116 S   HC   _H22    60     1.08478   122.26633     0.47724
  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   8   5   4   3
  14   6   2   1   1  16  14  15  12   4  14   7  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    49    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    50    61    41    45    51    52    62  
   38    39    40    44    49    51  
   36    37  
   37  
    0  
   39    40    43    44    49    41    42    45    46    51    52    62    63    64    65    53  
   40    43    47    80    44    49    41    42    45    46    51    52    62    53  
   43    47    48    56    67    80    58    44    49    50    61    41    42    45    51  
   42    45    46    51    52    62    53    54    55    66    43    44  
   45    46    51    53  
   47    48    56    57    67    80    81    68    58    59    60    72    44    49  
   49    50    61    75    51    47    80  
   46    51    52    62    63    64    65    53    54    55    66    79   101  
   51    52    62    53    54    55    66  
   48    56    57    67    80    81    68    69    70    71    58    59    60    72    73    74    83  
   56    57    67    80    68    58    59    60    72  
   50    61    75    76    77    78  
   61    75  
   52    62    63    64    65    53    54    55    66  
   62    63    64    65    53  
   54    55    66    79    86    91   101   102    87    62  
   55    66    79   101  
   66    79   101  
   57    67    80    81    82    90    68    69    70    71    58    59    60    72  
   67    80    81    68    69    70    71    58  
   59    60    72    73    74    83    84    85    67    68    80  
   60    72    73    74    83  
   72    73    74    83  
   75    76    77    78  
   63    64    65  
   64    65  
   65  
    0  
   79    86    91   101   102   103    92    87    88    89    96  
   80    81    82    90   100   115    68    69    70    71  
   69    70    71    80    81  
   70    71  
   71  
    0  
   73    74    83    84    85  
   74    83    84    85  
   83    84    85  
   76    77    78  
   77    78  
   78  
    0  
   86    91   101   102   103    92    93    94    95    87    88    89    96    97    98    99  
   81    82    90  
   82    90   100   106   111   115   107  
   90   100   115  
   84    85  
   85  
    0  
   91   101   102   103   104   105    92    93    94    95    87    88    89    96  
   88    89    96    97    98    99    91    92   101  
   89    96    97    98    99  
   96    97    98    99  
  100   106   111   112   115   113   107   108   109   110  
  101   102   103   104   105    92    93    94    95  
   93    94    95   101   103  
   94    95  
   95  
    0  
   97    98    99  
   98    99  
   99  
    0  
  106   111   112   115   113   114   116   107   108   109   110  
  102   103   104   105  
  103  
  104   105  
  105  
    0  
  111   112   115   113   114   116   117   118   107   108   109   110  
  108   109   110   111   113   115  
  109   110  
  110  
    0  
  112   115   113   114   116  
  115   113  
  114   116   117   118   115  
  116   117   118  
    0  
  117   118  
  118  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.003300   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   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   81   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.7500   0.1050   0.396300   2.0020   1.7750   0.023028004  -0.852763146
   91   3.5500   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
   92   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
  101   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
  102   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
  103   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
  104   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
  105   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
  106   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   3.7500   0.1050   0.401700   2.1120   1.8750   0.001000000  -0.126889456
  112   2.9600   0.2100  -0.222500   1.6780   1.4800   0.001000000  -0.126889456
  113   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  114   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  115   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
  116   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  117   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  118   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    44   317.000  1.510
   38    39   549.000  1.340
   38    51   317.000  1.510
   39    40   380.000  1.444
   39    41   425.000  1.378
   40    43   320.000  1.464
   40    44   549.000  1.340
   43    47   270.000  1.508
   43    80   500.000  1.261
   47    48   340.000  1.090
   47    56   268.000  1.529
   47    58   268.000  1.529
   56    57   340.000  1.090
   56    67   317.000  1.510
   56    68   268.000  1.529
   67    80   405.000  1.380
   67    81   549.000  1.340
   81    82   340.000  1.080
   81    90   320.000  1.464
   90   100   320.000  1.464
   90   115   500.000  1.261
  100   106   549.000  1.340
  100   107   317.000  1.510
  106   111   410.000  1.444
  106   113   380.000  1.444
  111   112   570.000  1.229
  111   115   415.000  1.368
  113   114   340.000  1.080
  113   116   549.000  1.340
  116   117   340.000  1.080
  116   118   340.000  1.080
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    83   317.000  1.522
   83    84   656.000  1.250
   83    85   656.000  1.250
   44    49   320.000  1.462
   49    50   570.000  1.229
   49    61   214.000  1.327
   61    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   41    42   434.000  1.010
   41    45   382.000  1.448
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    53   268.000  1.529
   51    52   340.000  1.090
   51    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    66   295.000  1.489
   66    79   546.000  1.367
   66   101   427.000  1.381
   79    86   469.000  1.424
   79    87   285.000  1.502
   86    91   546.000  1.367
   86    92   285.000  1.502
   91   101   427.000  1.381
   91   103   335.000  1.450
  101   102   434.000  1.010
  103   104   570.000  1.229
  103   105   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   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  112.20000
   33    38    39    70.00000  124.00000
   33    38    51    65.00000  117.92700
   33    44    40    70.00000  124.00000
   33    44    49    65.00000  116.34900
   38    33    34    85.00000  110.90400
   38    39    40    70.00000  123.01800
   38    39    41    70.00000  124.03900
   38    51    45    70.00000  112.02700
   38    51    52    35.00000  109.50000
   38    51    62    70.00000  112.02700
   39    40    43    60.00000  124.00000
   39    40    44    70.00000  123.01800
   39    41    42    35.00000  114.50000
   39    41    45    50.00000  121.00000
   40    43    47    60.00000  124.00000
   40    43    80    65.00000  125.00000
   40    44    49    65.00000  118.96000
   43    47    48    45.00000  109.49600
   43    47    56    70.00000  111.76100
   43    47    58    70.00000  111.76100
   43    80    67    75.00000  115.77100
   47    56    57    37.50000  110.70000
   47    56    67    70.00000  112.02700
   47    56    68    58.35000  112.70000
   47    58    59    37.50000  110.70000
   47    58    60    37.50000  110.70000
   47    58    72    58.35000  112.70000
   56    47    48    37.50000  110.70000
   56    67    80    65.00000  119.96000
   56    67    81    70.00000  124.00000
   56    68    69    37.50000  110.70000
   56    68    70    37.50000  110.70000
   56    68    71    37.50000  110.70000
   67    56    57    35.00000  109.50000
   67    81    82    35.00000  120.00000
   67    81    90    60.00000  120.31500
   80    43    47    65.00000  122.10100
   81    67    80    70.00000  120.83400
   81    90   100    65.00000  123.36000
   81    90   115    70.00000  121.86000
   90    81    82    40.00000  114.85300
   90   100   106    60.00000  120.31500
   90   100   107    65.00000  117.22000
   90   115   111    80.00000  110.69000
  100   106   111    70.00000  118.70000
  100   106   113    70.00000  123.01800
  100   107   108    35.00000  109.50000
  100   107   109    35.00000  109.50000
  100   107   110    35.00000  109.50000
  106   111   112    80.00000  125.30000
  106   111   115    75.00000  112.93000
  106   113   114    35.00000  120.00000
  106   113   116    70.00000  123.01800
  115    90   100    70.00000  121.86000
  115   111   112    80.00000  126.08800
  113   106   111    70.00000  118.70000
  113   116   117    35.00000  120.00000
  113   116   118    35.00000  120.00000
  116   113   114    35.00000  120.00000
  118   116   117    35.00000  117.00000
  107   100   106    70.00000  124.00000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   68    56    57    37.50000  110.70000
   68    56    67    70.00000  112.02700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   58    47    48    37.50000  110.70000
   58    47    56    58.35000  112.70000
   58    72    73    37.50000  110.70000
   58    72    74    37.50000  110.70000
   58    72    83    70.00000  109.69300
   60    58    59    33.00000  107.80000
   72    58    59    37.50000  110.70000
   72    58    60    37.50000  110.70000
   72    83    84    70.00000  117.00000
   72    83    85    70.00000  117.00000
   74    72    73    33.00000  107.80000
   83    72    73    35.00000  109.50000
   83    72    74    35.00000  109.50000
   85    83    84    80.00000  126.00000
   44    33    34    85.00000  110.90400
   44    33    38    70.00000  110.12100
   44    40    43    60.00000  124.00000
   44    49    50    80.00000  123.72100
   44    49    61    90.00000  111.29400
   49    61    75    83.00000  116.90000
   61    49    50    83.00000  123.40000
   61    75    76    35.00000  109.50000
   61    75    77    35.00000  109.50000
   61    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   41    39    40    70.00000  124.03900
   41    45    46    35.00000  109.50000
   41    45    51    80.00000  111.61500
   41    45    53    80.00000  111.61500
   45    41    42    35.00000  112.50000
   45    51    52    37.50000  110.70000
   45    51    62    58.35000  112.70000
   45    53    54    37.50000  110.70000
   45    53    55    37.50000  110.70000
   45    53    66    70.00000  113.44400
   51    38    39    70.00000  124.00000
   51    45    46    37.50000  110.70000
   51    62    63    37.50000  110.70000
   51    62    64    37.50000  110.70000
   51    62    65    37.50000  110.70000
   62    51    52    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   53    45    46    37.50000  110.70000
   53    45    51    58.35000  112.70000
   53    66    79    50.00000  133.50000
   53    66   101    65.00000  122.56900
   55    53    54    33.00000  107.80000
   66    53    54    45.00000  110.47400
   66    53    55    45.00000  110.47400
   66    79    86    70.00000  107.30000
   66    79    87    60.00000  130.00000
   66   101    91    70.00000  109.80000
   66   101   102    35.00000  120.00000
   79    86    91    70.00000  107.30000
   79    86    92    60.00000  130.00000
   79    87    88    35.00000  109.50000
   79    87    89    35.00000  109.50000
   79    87    96    70.00000  112.17500
   86    91   101    70.00000  107.70000
   86    91   103    55.00000  130.80000
   86    92    93    35.00000  109.50000
   86    92    94    35.00000  109.50000
   86    92    95    35.00000  109.50000
   91   101   102    35.00000  120.00000
   91   103   104    80.00000  122.40000
   91   103   105    35.00000  115.00000
  101    66    79    70.00000  107.70000
  103    91   101    70.00000  119.02500
  105   103   104    35.00000  123.00000
   92    86    91    60.00000  130.00000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   87    79    86    60.00000  130.00000
   87    96    97    37.50000  110.70000
   87    96    98    37.50000  110.70000
   87    96    99    37.50000  110.70000
   89    87    88    33.00000  107.80000
   96    87    88    37.50000  110.70000
   96    87    89    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
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   51    38   -39    41   7.00000 -1.0 2.0
   51    45    53    54   0.15000  1.0 3.0
   51    45    53    55   0.15000  1.0 3.0
   51    45    53    66  -0.03700  1.0 1.0
   51    45    53    66   0.37200 -1.0 2.0
   51    45    53    66  -0.47300  1.0 3.0
   52    51    62    63   0.15000  1.0 3.0
   52    51    62    64   0.15000  1.0 3.0
   52    51    62    65   0.15000  1.0 3.0
   53    45    51    38   0.34400  1.0 1.0
   53    45    51    38   0.09450 -1.0 2.0
   53    45    51    38   0.11100  1.0 3.0
   53    45    51    52   0.15000  1.0 3.0
   53    45    51    62   0.56750  1.0 1.0
   53    45    51    62  -0.07550 -1.0 2.0
   53    45    51    62   0.20000  1.0 3.0
   53    66    79    86   3.62500 -1.0 2.0
   53    66    79    87   3.62500 -1.0 2.0
   53    66   101    91   3.62500 -1.0 2.0
   53    66   101   102   2.00000 -1.0 2.0
   54    53    66    79   0.00000  1.0 1.0
   54    53    66   101   0.00000  1.0 1.0
   55    53    66    79   0.00000  1.0 1.0
   55    53    66   101   0.00000  1.0 1.0
   66    79   -86    91   3.62500 -1.0 2.0
   66    79    86    92   3.62500 -1.0 2.0
   66    79    87    88   0.00000  1.0 1.0
   66    79    87    89   0.00000  1.0 1.0
   66    79    87    96   0.04150 -1.0 2.0
   79    66  -101    91   3.62500 -1.0 2.0
   79    66   101   102   2.00000 -1.0 2.0
   79    86   -91   101   3.62500 -1.0 2.0
   79    86    91   103   3.62500 -1.0 2.0
   79    86    92    93   0.00000  1.0 1.0
   79    86    92    94   0.00000  1.0 1.0
   79    86    92    95   0.00000  1.0 1.0
   79    87    96    97   0.43200  1.0 3.0
   79    87    96    98   0.43200  1.0 3.0
   79    87    96    99   0.43200  1.0 3.0
   86    79    87    88   0.00000  1.0 1.0
   86    79    87    89   0.00000  1.0 1.0
   86    79    87    96   0.04150 -1.0 2.0
   86    91  -101    66   3.62500 -1.0 2.0
   86    91   101   102   2.00000 -1.0 2.0
   86    91   103   104   1.05000 -1.0 2.0
   86    91   103   105   0.56600 -1.0 2.0
   91    86    92    93   0.00000  1.0 1.0
   91    86    92    94   0.00000  1.0 1.0
   91    86    92    95   0.00000  1.0 1.0
  101    66   -79    86   3.62500 -1.0 2.0
  101    66    79    87   3.62500 -1.0 2.0
  101    91   103   104   1.85000 -1.0 2.0
  101    91   103   105   0.56600 -1.0 2.0
  103    91   101    66   3.62500 -1.0 2.0
  103    91   101   102   2.00000 -1.0 2.0
   92    86    91   101   3.62500 -1.0 2.0
   92    86    91   103   3.62500 -1.0 2.0
   87    79    86    91   3.62500 -1.0 2.0
   87    79    86    92   3.62500 -1.0 2.0
   88    87    96    97   0.15000  1.0 3.0
   88    87    96    98   0.15000  1.0 3.0
   88    87    96    99   0.15000  1.0 3.0
   89    87    96    97   0.15000  1.0 3.0
   89    87    96    98   0.15000  1.0 3.0
   89    87    96    99   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    51    38    39   1.10000 -1.0 2.0
   40    41    39    38   1.10000 -1.0 2.0
   39    43    40    44   1.10000 -1.0 2.0
   40    47    43    80  10.50000 -1.0 2.0
   56    80    67    81   1.10000 -1.0 2.0
   90    82    81    67   1.10000 -1.0 2.0
   81   100    90   115  10.50000 -1.0 2.0
   90   107   100   106   1.10000 -1.0 2.0
  111   113   106   100   1.10000 -1.0 2.0
  106   115   111   112  10.50000 -1.0 2.0
  106   114   113   116  15.00000 -1.0 2.0
  117   118   116   113  15.00000 -1.0 2.0
   84    72    83    85  10.50000 -1.0 2.0
   33    49    44    40   1.10000 -1.0 2.0
   44    61    49    50  10.50000 -1.0 2.0
   42    39    41    45   1.00000 -1.0 2.0
   79   101    66    53   4.00000 -1.0 2.0
   86    87    79    66   4.00000 -1.0 2.0
   91    92    86    79   4.00000 -1.0 2.0
  103   101    91    86   4.00000 -1.0 2.0
  102    66   101    91   1.00000 -1.0 2.0
   91   105   103   104  10.50000 -1.0 2.0
END
