* LIGAND DATABASE FILE (OPLS2005)
*
001     119   120    216    311     624
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02080    82.85815    51.20334
    3     1 S   H    _H1_     3     1.02142    34.67267  -170.34368
    4     1 S   H    _H2_     4     1.02098    96.68230   -56.92336
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C16    36     1.83322    97.61067  -178.17244
   34    33 S   HC   _H9_    37     1.12287   104.72956   -56.33739
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C15    38     1.50770   108.63803    60.01842
   39    38 S   HC   _H18    39     1.07723   116.80323    50.90954
   40    33 S   CT   _C17    76     1.55501   115.23428  -174.24704
   41    40 S   HC   _H19    77     1.10436   107.61565  -157.89242
   42    38 S   CM   _C14    40     1.34432   125.75105  -129.69703
   43    42 S   HC   _H17    41     1.08477   116.88992   178.78792
   44    40 S   CT   _C27    78     1.52826   116.30441   -35.29126
   45    44 S   HC   _H26    79     1.08586   109.48368    58.15583
   46    44 S   HC   _H27    80     1.08694   109.44373   -61.81304
   47    44 S   HC   _H28    81     1.08710   109.49234   178.20311
   48    42 S   CT   _C13    42     1.50903   126.90869    -2.01577
   49    48 S   HC   _H8_    43     1.08852   109.67090   -10.08452
   50    48 S   CT   _C12    44     1.54534   111.35702   112.50375
   51    50 S   HC   _H7_    45     1.10288   108.10966   -41.00673
   52    48 S   OS   _O37   115     1.42755   106.46933  -126.29129
   53    50 S   CM   _C11    46     1.52644   115.36341  -159.40207
   54    50 S   OS   _O38   109     1.42954   110.30236    76.67648
   55    52 S   CT   _C28   116     1.41760   111.17601    80.01493
   56    55 S   HC   _H29   117     1.09278   109.54485  -179.97202
   57    55 S   HC   _H30   118     1.09278   109.57738    59.17461
   58    55 S   HC   _H31   119     1.09251   109.00080   -60.44183
   59    53 S   CM   _C10    47     1.35168   119.50478   131.00268
   60    59 S   HC   _H16    48     1.07704   119.19606    -0.80113
   61    53 S   CT   _C30   105     1.50464   117.31551   -51.22371
   62    61 S   HC   _H34   106     1.08481   108.97829   -87.71169
   63    61 S   HC   _H35   107     1.08429   109.00637   152.18987
   64    61 S   HC   _H36   108     1.08398   108.99721    32.46675
   65    54 S   CO4  _C29   110     1.36389   115.63339  -147.86003
   66    65 S   O    _O39   111     1.22614   125.38552    -0.00000
   67    59 S   CT   _C9_    49     1.51382   127.21427   179.03328
   68    67 S   HC   _H6_    50     1.11134   111.52932    27.30720
   69    65 S   N    _N5_   112     1.37263   110.33651  -179.98022
   70    69 S   H    _H32   113     1.01441   119.31193  -179.97202
   71    69 S   H    _H33   114     1.01501   121.35325    -0.04846
   72    67 S   CT   _C8_    51     1.55099   112.81273   147.97391
   73    72 S   HC   _H5_    52     1.09572   108.26047    69.69498
   74    67 S   CT   _C31   101     1.53754   108.58072   -89.08444
   75    74 S   HC   _H37   102     1.08553   109.41993   -60.09908
   76    74 S   HC   _H38   103     1.08547   109.43305   179.82529
   77    74 S   HC   _H39   104     1.08640   109.38899    59.83560
   78    72 S   CT   _C7_    53     1.54373   115.57206   -54.80418
   79    78 S   HC   _H4_    54     1.08718   109.44648    61.70432
   80    72 S   OS   _O40    96     1.43359   109.03972  -175.94059
   81    78 S   CT   _C6_    55     1.53962   114.36048   -61.05783
   82    81 S   HC   _H14    56     1.10524   108.32667    66.91919
   83    81 S   HC   _H15    57     1.10558   108.22824   -46.52060
   84    78 S   OS   _O41    91     1.43010   107.84975   176.87795
   85    80 S   CT   _C32    97     1.41666   111.02750  -160.02451
   86    85 S   HC   _H40    98     1.09306   109.46155   180.00000
   87    85 S   HC   _H41    99     1.09267   109.54043    59.26929
   88    85 S   HC   _H42   100     1.09266   109.01281   -60.43798
   89    81 S   CT   _C5_    58     1.55370   114.91688  -171.07212
   90    89 S   HC   _H3_    59     1.11494   107.97493    63.69838
   91    84 S   CT   _C33    92     1.42156   111.57821   -74.99999
   92    91 S   HC   _H43    93     1.09346   109.50346  -179.97202
   93    91 S   HC   _H44    94     1.09288   109.53732    59.23982
   94    91 S   HC   _H45    95     1.09220   108.99774   -60.45726
   95    89 S   CT   _C24    60     1.55899   112.26341  -179.89913
   96    95 S   HC   _H10    61     1.09957   109.22994  -177.42876
   97    89 S   CT   _C4_    87     1.53262   111.93796   -52.81809
   98    97 S   HC   _H11    88     1.08522   109.35364   -62.42057
   99    97 S   HC   _H12    89     1.08578   109.33897   177.59662
  100    97 S   HC   _H13    90     1.08491   109.32572    57.57377
  101    95 S   CM   _C23    62     1.51490   114.09493    60.66513
  102    95 S   OS   _O35    82     1.43152   107.85480   -63.19348
  103   101 S   CM   _C22    63     1.34063   125.11357  -101.59219
  104   103 S   HC   _H22    64     1.07601   122.53982    -2.74509
  105   102 S   CT   _C25    83     1.41876   111.27065  -154.31396
  106   105 S   HC   _H23    84     1.09252   109.52522   180.00000
  107   105 S   HC   _H24    85     1.09238   109.51787    59.19661
  108   105 S   HC   _H25    86     1.09205   108.93090   -60.42464
  109   103 S   CO4  _C21    65     1.47556   121.01789   175.36333
  110   109 S   O    _O34    66     1.22505   121.85587   167.50538
  111   109 S   CM   _C20    67     1.47666   116.17550   -17.27443
  112   111 S   HC   _H21    68     1.07769   115.12682  -161.95996
  113   111 S   CM   _C19    69     1.34047   121.36780    18.70086
  114   101 S   CO4  _C26    70     1.49357   117.25378    81.18586
  115   114 S   O    _O36    71     1.22382   120.41137    29.21387
  116   113 S   N    _N4_    72     1.37989   119.36305  -171.07372
  117   116 S   H    _H20    73     1.02536   114.06479    -5.09770
  118   116 S   C    _C18    74     1.39372   129.63014   177.88151
  119   118 S   O    _O33    75     1.22726   127.74870    18.40577
  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  11   4  11   7   9   4   6   3   2   1  13
   6  15   6   6  12   7   3   2   1   1  15   5   4   2   1   1
   4   3  13   8   2   1   1  18   7   5   2   1   1  15   7   6
  14   6   5   5   3   2   1   1  12   8   3   2   1   1  17   6
   5   2   1   1  11   6   8   4   3   2   1   1   6   3   7   3
   6   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42   118    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48   116   118   119    40    41    44    45    46    47  
   38    39    42   118    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    49    50   118    40    41    44    52  
   42    43    48    40  
   41    44    45    46    47    42   113   116   117   118   119  
   44    45    46    47   116   118   119  
   43    48    49    50    51    53    54    52    55  
   48    49    50    52  
   45    46    47   116   118   119  
   46    47   118  
   47   118  
  118  
   49    50    51    53    59    61    54    65    52    55    56    57    58  
   50    51    53    54    52    55  
   51    53    59    60    67    61    62    63    64    54    65    66    69    52    55  
   53    59    61    54    65    52  
   55    56    57    58    53    54  
   59    60    67    68    72    74    61    62    63    64    54    65  
   65    66    69    70    71    59    61  
   56    57    58  
   57    58  
   58  
    0  
   60    67    68    72    73    78    80    74    75    76    77    61    62    63    64  
   67    68    72    74    61  
   62    63    64    67  
   63    64  
   64  
    0  
   66    69    70    71  
   69    70    71  
   68    72    73    78    79    81    84    80    85    74    75    76    77  
   72    73    78    80    74    75    76    77  
   70    71  
   71  
    0  
   73    78    79    81    82    83    89    84    91    80    85    86    87    88    74    75    76    77  
   78    79    81    84    80    85    74  
   75    76    77    78    80  
   76    77  
   77  
    0  
   79    81    82    83    89    90    95    97    84    91    92    93    94    80    85  
   81    82    83    89    84    91    80  
   85    86    87    88    81    84  
   82    83    89    90    95    96   101   102    97    98    99   100    84    91  
   83    89    90    95    97    84  
   89    90    95    97    84  
   91    92    93    94    89  
   86    87    88  
   87    88  
   88  
    0  
   90    95    96   101   103   114   102   105    97    98    99   100  
   95    96   101   102    97    98    99   100  
   92    93    94  
   93    94  
   94  
    0  
   96   101   103   104   109   113   114   115   102   105   106   107   108    97    98    99   100  
  101   103   114   102   105    97  
   98    99   100   101   102  
   99   100  
  100  
    0  
  103   104   109   110   111   113   114   115   116   102   105  
  105   106   107   108   103   114  
  104   109   110   111   112   113   114   115  
  109   110   111   114  
  106   107   108  
  107   108  
  108  
    0  
  110   111   112   113   114   116  
  111   112   113  
  112   113   114   115   116   117   118  
  113   114   116  
  114   115   116   117   118   119  
  115   116   117   118  
  116  
  117   118   119  
  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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   70   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   71   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.030000   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  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
  102   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
  103   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  104   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  109   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  110   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  111   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  112   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  113   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
  114   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  115   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  116   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
  117   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  118   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
  119   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
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   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    48   317.000  1.510
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    52   320.000  1.410
   50    51   340.000  1.090
   50    53   317.000  1.510
   50    54   320.000  1.410
   53    59   549.000  1.340
   53    61   317.000  1.510
   59    60   340.000  1.080
   59    67   317.000  1.510
   67    68   340.000  1.090
   67    72   268.000  1.529
   67    74   268.000  1.529
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    80   320.000  1.410
   78    79   340.000  1.090
   78    81   268.000  1.529
   78    84   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    89   268.000  1.529
   89    90   340.000  1.090
   89    95   268.000  1.529
   89    97   268.000  1.529
   95    96   340.000  1.090
   95   101   317.000  1.510
   95   102   320.000  1.410
  101   103   549.000  1.340
  101   114   320.000  1.462
  103   104   340.000  1.080
  103   109   320.000  1.462
  109   110   570.000  1.229
  109   111   320.000  1.462
  111   112   340.000  1.080
  111   113   549.000  1.340
  113   114   320.000  1.462
  113   116   400.000  1.384
  114   115   570.000  1.229
  116   117   434.000  1.010
  116   118   490.000  1.335
  118   119   570.000  1.229
  118    40   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
  102   105   320.000  1.410
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   84    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   80    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   54    65   214.000  1.327
   65    66   570.000  1.229
   65    69   435.000  1.380
   69    70   434.000  1.010
   69    71   434.000  1.010
   52    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40   118    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    48    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    48    49    35.00000  109.50000
   42    48    50    70.00000  112.02700
   42    48    52    85.00000  110.90400
   48    42    43    35.00000  117.00000
   48    50    51    37.50000  110.70000
   48    50    53    70.00000  112.02700
   48    50    54    50.00000  109.50000
   48    52    55    60.00000  109.50000
   50    48    49    37.50000  110.70000
   50    53    59    70.00000  124.00000
   50    53    61    65.00000  117.92700
   50    54    65    83.00000  116.90000
   53    50    51    35.00000  109.50000
   53    59    60    35.00000  120.00000
   53    59    67    70.00000  124.00000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   59    67    68    35.00000  109.50000
   59    67    72    70.00000  112.02700
   59    67    74    70.00000  112.02700
   67    59    60    35.00000  117.00000
   67    72    73    37.50000  110.70000
   67    72    78    58.35000  112.70000
   67    72    80    50.00000  109.50000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   72    67    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    81    58.35000  112.70000
   72    78    84    50.00000  109.50000
   72    80    85    60.00000  109.50000
   78    72    73    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    89    58.35000  112.70000
   78    84    91    60.00000  109.50000
   81    78    79    37.50000  110.70000
   81    89    90    37.50000  110.70000
   81    89    95    58.35000  112.70000
   81    89    97    58.35000  112.70000
   83    81    82    33.00000  107.80000
   89    81    82    37.50000  110.70000
   89    81    83    37.50000  110.70000
   89    95    96    37.50000  110.70000
   89    95   101    70.00000  112.02700
   89    95   102    50.00000  109.50000
   89    97    98    37.50000  110.70000
   89    97    99    37.50000  110.70000
   89    97   100    37.50000  110.70000
   95    89    90    37.50000  110.70000
   95   101   103    70.00000  124.00000
   95   101   114    65.00000  116.34900
   95   102   105    60.00000  109.50000
  101    95    96    35.00000  109.50000
  101   103   104    35.00000  120.00000
  101   103   109    65.00000  118.96000
  101   114   113    65.00000  118.65900
  101   114   115    80.00000  123.72100
  103   109   110    80.00000  123.72100
  103   109   111    65.00000  118.65900
  109   103   104    40.00000  117.72500
  109   111   112    40.00000  117.72500
  109   111   113    65.00000  118.96000
  111   109   110    80.00000  123.72100
  111   113   114    65.00000  118.96000
  111   113   116    75.00000  120.83300
  113   111   112    35.00000  120.00000
  113   114   115    80.00000  123.72100
  113   116   117    45.00000  117.55000
  113   116   118    70.00000  120.89900
  114   101   103    65.00000  118.96000
  116   113   114    70.00000  117.92000
  116   118   119    80.00000  122.90000
  116   118    40    70.00000  116.60000
  118   116   117    35.00000  119.80000
  118    40    41    35.00000  109.50000
  118    40    44    63.00000  111.10000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40   118   119    80.00000  120.40000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
  102    95    96    35.00000  109.50000
  102    95   101    85.00000  110.90400
  102   105   106    35.00000  109.50000
  102   105   107    35.00000  109.50000
  102   105   108    35.00000  109.50000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   97    89    90    37.50000  110.70000
   97    89    95    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   84    78    79    35.00000  109.50000
   84    78    81    50.00000  109.50000
   84    91    92    35.00000  109.50000
   84    91    93    35.00000  109.50000
   84    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   80    72    73    35.00000  109.50000
   80    72    78    50.00000  109.50000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    72    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    53    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   54    50    51    35.00000  109.50000
   54    50    53    85.00000  110.90400
   54    65    66    83.00000  123.40000
   54    65    69   110.00000  108.75700
   65    69    70    50.00000  116.34900
   65    69    71    50.00000  116.34900
   69    65    66    85.00000  125.96000
   71    69    70    35.00000  120.00000
   52    48    49    35.00000  109.50000
   52    48    50    50.00000  109.50000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
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  102    95   101   103  -0.05800 -1.0 2.0
  102    95   101   103  -0.55150  1.0 3.0
  102    95   101   114   0.09700  1.0 1.0
  102    95   101   114   0.15600 -1.0 2.0
  102    95   101   114  -0.50800  1.0 3.0
   97    89    95    96   0.15000  1.0 3.0
   97    89    95   101   0.34400  1.0 1.0
   97    89    95   101   0.09450 -1.0 2.0
   97    89    95   101   0.11100  1.0 3.0
   97    89    95   102   0.62750  1.0 1.0
   97    89    95   102  -0.30950 -1.0 2.0
   97    89    95   102   0.27300  1.0 3.0
   84    78    81    82   0.23400  1.0 3.0
   84    78    81    83   0.23400  1.0 3.0
   84    78    81    89   0.62750  1.0 1.0
   84    78    81    89  -0.30950 -1.0 2.0
   84    78    81    89   0.27300  1.0 3.0
   80    72    78    79   0.23400  1.0 3.0
   80    72    78    81   0.62750  1.0 1.0
   80    72    78    81  -0.30950 -1.0 2.0
   80    72    78    81   0.27300  1.0 3.0
   80    72    78    84   1.11900  1.0 1.0
   80    72    78    84  -1.16350 -1.0 2.0
   80    72    78    84  -0.34150  1.0 3.0
   74    67    72    73   0.15000  1.0 3.0
   74    67    72    78   0.56750  1.0 1.0
   74    67    72    78  -0.07550 -1.0 2.0
   74    67    72    78   0.20000  1.0 3.0
   74    67    72    80   0.62750  1.0 1.0
   74    67    72    80  -0.30950 -1.0 2.0
   74    67    72    80   0.27300  1.0 3.0
   61    53    59    60   7.00000 -1.0 2.0
   61    53    59    67   7.00000 -1.0 2.0
   54    50    53    59   0.39000  1.0 1.0
   54    50    53    59  -0.05800 -1.0 2.0
   54    50    53    59  -0.55150  1.0 3.0
   54    50    53    61   0.09700  1.0 1.0
   54    50    53    61   0.15600 -1.0 2.0
   54    50    53    61  -0.50800  1.0 3.0
   54    65    69    70   2.56700 -1.0 2.0
   54    65    69    71   2.56700 -1.0 2.0
   66    65    69    70   2.45000 -1.0 2.0
   66    65    69    71   2.45000 -1.0 2.0
   52    48    50    51   0.23400  1.0 3.0
   52    48    50    53   0.61850  1.0 1.0
   52    48    50    53  -0.22750 -1.0 2.0
   52    48    50    53   0.15300  1.0 3.0
   52    48    50    54   1.11900  1.0 1.0
   52    48    50    54  -1.16350 -1.0 2.0
   52    48    50    54  -0.34150  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    39    38    42   1.10000 -1.0 2.0
   48    43    42    38   1.10000 -1.0 2.0
   50    61    53    59   1.10000 -1.0 2.0
   67    60    59    53   1.10000 -1.0 2.0
   95   114   101   103   1.10000 -1.0 2.0
  109   104   103   101   1.10000 -1.0 2.0
  103   111   109   110  10.50000 -1.0 2.0
  109   112   111   113   1.10000 -1.0 2.0
  114   116   113   111   1.10000 -1.0 2.0
  101   113   114   115  10.50000 -1.0 2.0
  117   118   116   113   1.00000 -1.0 2.0
  116    40   118   119  10.50000 -1.0 2.0
   54    69    65    66  10.50000 -1.0 2.0
   71    65    69    70   1.00000 -1.0 2.0
END
