* LIGAND DATABASE FILE (OPLS2005)
*
001     118   119    224    333     665
    1     0 S   NP   _N1_     1    28.66952    93.21106   -21.55599
    2     1 S   H    _HN1     2     1.02775    92.75337   -83.30867
    3     1 S   H    _H1_     3     1.02956    98.66101    25.76538
    4     1 S   H    _H2_     4     1.02830    21.44255   140.59205
    5     1 S   CT   _CA1     5     1.50075   131.74870   153.20983
    6     5 S   HC   _HA1     6     1.09564   105.27448    54.17025
    7     5 S   CO3  _C1_     7     1.53856   112.67054   -66.17993
    8     7 S   O2Z  _O11     8     1.26352   115.01879   -37.01842
    9     7 S   O2Z  _O12     9     1.26270   114.96187   142.56608
   10     5 S   CT   _CB1    10     1.53107   107.48937   172.37728
   11    10 S   HC   HB11    11     1.09812   109.59268   -49.00363
   12    10 S   HC   HB12    12     1.09827   110.29092    67.69254
   13    10 S   CT   _CG1    13     1.52902   112.50948  -170.07970
   14    13 S   HC   HG11    14     1.09521   110.37992   -60.49594
   15    13 S   HC   HG12    15     1.09642   110.10755    58.67907
   16    13 S   C    _CD1    16     1.51666   112.51582   179.20870
   17    16 S   O    _OE1    17     1.22679   123.39120    -8.53258
   18    16 S   N    _N2_    18     1.38544   111.27365   171.80147
   19    18 S   H    _HN2    19     1.01588   118.97470     2.20744
   20    18 S   CT1  _CA2    20     1.46152   123.67959  -178.26822
   21    20 S   HC   _HA2    21     1.09716   109.53854    -8.98104
   22    20 S   C    _C2_    22     1.53445   108.22568  -124.69448
   23    22 S   O    _O2_    23     1.23021   122.49252  -148.41094
   24    20 S   CT   _CB2    32     1.53394   110.86249   113.27324
   25    24 S   HC   HB21    33     1.09373   109.07697    53.55740
   26    24 S   HC   HB22    34     1.09443   110.28621   172.19538
   27    22 S   N    _N3_    24     1.38404   113.47665    39.06424
   28    27 S   H    _HN3    25     1.01637   119.44354    -3.53064
   29    24 S   S    _SG2    35     1.83092   111.29157   -68.37898
   30    27 S   CT   _CA3    26     1.45274   123.11391   177.13454
   31    30 S   HC   HA31    27     1.09552   107.51824   -64.07705
   32    30 S   HC   HA32    28     1.09560   107.95366    52.33023
   33    29 S   CT   _C7_    36     1.89147   101.91554   158.31006
   34    30 S   CO3  _C3_    29     1.52924   114.14957   174.30550
   35    34 S   O2Z  _O31    30     1.26363   116.06447    -1.02755
   36    34 S   O2Z  _O32    31     1.26431   114.40882   179.03146
   37    33 S   CO4  _C8_    37     1.58306   106.91843   168.25672
   38    37 S   O    _O33    38     1.23838   121.09130   -17.95723
   39    33 S   CT   _C6_    60     1.56518   108.34163   -70.28868
   40    39 S   HC   _H19    61     1.08874   107.30583  -170.91786
   41    39 S   HC   _H20    62     1.09880   107.75706    77.53652
   42    33 S   CT   _C30   115     1.58966   111.77599    48.07875
   43    42 S   OM   _O42   116     1.32657   110.76619    60.10989
   44    42 S   HC   _H47   117     1.10165   106.39824   -67.97114
   45    42 S   HC   _H48   118     1.10095   104.80678  -172.59331
   46    37 S   CT   _C9_    39     1.55497   120.47542   164.82620
   47    46 S   HC   _H4_    40     1.08670   108.41431   -29.12437
   48    46 S   CT   _C10    41     1.54829   110.99270    91.55656
   49    48 S   HC   _H5_    42     1.09097   109.53966   -30.51620
   50    46 S   CT   _C29   111     1.54102   107.45127  -143.95564
   51    50 S   HC   _H44   112     1.09530   112.25116   -67.67026
   52    50 S   HC   _H45   113     1.09122   111.99647   170.70430
   53    50 S   HC   _H46   114     1.09382   111.14571    51.09766
   54    48 S   CT   _C11    43     1.55935   117.98280  -152.62821
   55    54 S   HC   _H6_    44     1.10045   104.78247  -171.13025
   56    48 S   OH   _O41   109     1.43475   108.99793    83.68226
   57    56 S   HO   _H43   110     0.97235   107.58012  -166.89093
   58    54 S   CT   _C12    45     1.55529   113.42773    73.21113
   59    58 S   HC   _H7_    46     1.09644   108.79581    39.87393
   60    54 S   CT   _C28   105     1.53249   113.29830   -56.73393
   61    60 S   HC   _H40   106     1.09366   111.98975    72.75715
   62    60 S   HC   _H41   107     1.09474   111.13785   -48.80149
   63    60 S   HC   _H42   108     1.09472   110.87107  -167.38433
   64    58 S   OS   _O34    47     1.44469   110.63381   -80.55007
   65    58 S   CT   _C27   101     1.53401   110.74160   159.12933
   66    65 S   HC   _H37   102     1.09475   111.43293    68.69764
   67    65 S   HC   _H38   103     1.09430   111.38108   -53.31687
   68    65 S   HC   _H39   104     1.09480   110.93225  -173.25023
   69    64 S   CO4  _C13    48     1.36672   117.51768   163.35304
   70    69 S   O    _O35    49     1.22444   125.80683    -4.84076
   71    69 S   CT   _C14    50     1.52275   110.24890   174.73508
   72    71 S   HC   _H8_    51     1.09777   106.82436    -3.65077
   73    71 S   CT   _C15    52     1.55739   109.14115   114.83426
   74    73 S   HC   _H9_    53     1.09348   109.13601     2.80812
   75    71 S   CT   _C26    97     1.52729   108.63982  -118.13236
   76    75 S   HC   _H34    98     1.09433   112.12345   -58.90690
   77    75 S   HC   _H35    99     1.09453   111.11856   179.25981
   78    75 S   HC   _H36   100     1.09612   110.28301    59.89316
   79    73 S   CT   _C16    54     1.56461   110.56393  -115.89586
   80    79 S   HC   _H10    55     1.09574   107.73452    35.55306
   81    73 S   OS   _O37    73     1.43508   111.88315   122.17346
   82    79 S   CT   _C17    56     1.56317   111.50041   152.79767
   83    82 S   HC   _H11    57     1.09340   109.13640    26.74536
   84    79 S   CT   _C18    69     1.53723   110.90578   -80.44099
   85    84 S   HC   _H22    70     1.09518   111.71995   -69.61441
   86    84 S   HC   _H23    71     1.09541   110.72932   169.89569
   87    84 S   HC   _H24    72     1.09475   111.11958    51.16412
   88    81 S   CO   _C19    74     1.43150   113.82157   -95.53958
   89    88 S   HC   _H12    75     1.09566   109.33061    40.15297
   90    82 S   CT   _C5_    58     1.56823   115.00569   -94.41886
   91    90 S   HC   _H3_    59     1.09718   105.37376   176.27269
   92    82 S   OH   _O36    67     1.42887   109.91510   142.61747
   93    92 S   HO   _H21    68     0.97278   108.58793  -174.77614
   94    88 S   CT   _C20    76     1.52743   109.23482   157.64393
   95    94 S   HC   _H25    77     1.09540   109.90995   -52.21179
   96    94 S   HC   _H26    78     1.09775   109.50467  -169.24695
   97    90 S   CT   _C4_    63     1.53038   111.27347   -69.61188
   98    97 S   HC   _H16    64     1.09176   111.69705    64.99656
   99    97 S   HC   _H17    65     1.09524   111.13639   -54.95976
  100    97 S   HC   _H18    66     1.09248   111.63352  -173.26638
  101    94 S   CT   _C21    79     1.53022   111.97569    70.27610
  102   101 S   HC   _H13    80     1.09807   110.88434   -68.75462
  103   101 S   CT   _C22    81     1.53512   109.49599    51.80894
  104   103 S   HC   _H14    82     1.09709   109.12065    69.72941
  105   101 S   OS   _O40    92     1.43342   110.62079   170.26762
  106   103 S   CT   _C23    83     1.53176   110.63662   -51.84173
  107   106 S   HC   _H15    84     1.09660   109.54173   -65.48327
  108   103 S   OH   _O39    90     1.42748   109.66083  -173.35881
  109   108 S   HO   _H30    91     0.97251   108.04421    59.14555
  110   105 S   CT   _C25    93     1.42096   113.53930    77.85283
  111   110 S   HC   _H31    94     1.09349   108.12984   175.77798
  112   110 S   HC   _H32    95     1.09415   110.69486    57.16964
  113   110 S   HC   _H33    96     1.09295   111.05556   -65.68629
  114    88 S   OS   _O38    85     1.42967   112.86690   -78.96072
  115   106 S   CT   _C24    86     1.52566   111.90471   175.55521
  116   115 S   HC   _H27    87     1.09556   110.89513   -60.77099
  117   115 S   HC   _H28    88     1.09586   110.30860  -178.66177
  118   115 S   HC   _H29    89     1.09393   111.71673    60.71206
  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  12   5   4   3
  17   2   1   1  19   6  17   6   5   5   2   1   1  13   8  17
   7   5   2   1   1  15   9   3   1  13   7   5   2   1   1  10
   4   2   1   1  11   4  13   8  20   7   5   2   1   1  14   9
  10  13   6   5   2   1   1  12   6   7   5   2   1  11   6   5
   3   2   1   1  14   6  12   7   6   8   6   3   1   3   2   1
   1   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    90    39    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    48    82    90    91    39    40    41    97    50    42    43    44    45  
   35    36  
   36  
    0  
   38    46    47    48    49    54    90    39    40    41    56    50    51    52    53    42    43    44    45  
   46    47    48    39    50    42  
   40    41    97    98    99   100    92    42    43    44    45    46    79    82    83    90    91  
   41    97    42    82    90    91  
   97    42    82    90    91  
   43    44    45    46    90  
   44    45  
   45  
    0  
   47    48    49    54    55    58    60    56    57    50    51    52    53  
   48    49    54    56    50    51    52    53  
   49    54    55    58    59    64    65    60    61    62    63    56    57    50    51    52    53  
   54    55    58    60    56    57    50  
   51    52    53    54    56  
   52    53  
   53  
    0  
   55    58    59    64    69    65    66    67    68    60    61    62    63    56    57  
   58    59    64    65    60    61    62    63    56  
   57    58    60  
    0  
   59    64    69    70    71    65    66    67    68    60    61    62    63  
   64    69    65    66    67    68    60  
   61    62    63    64    65  
   62    63  
   63  
    0  
   69    70    71    72    73    75    65    66    67    68  
   66    67    68    69  
   67    68  
   68  
    0  
   70    71    72    73    74    79    81    75    76    77    78  
   71    72    73    75  
   72    73    74    79    80    82    84    81    88    75    76    77    78  
   73    74    79    81    75    76    77    78  
   74    79    80    82    83    90    92    84    85    86    87    81    88    89    94   114    75    76    77    78  
   79    80    82    84    81    88    75  
   76    77    78    79    81  
   77    78  
   78  
    0  
   80    82    83    90    91    97    92    93    84    85    86    87    81    88  
   82    83    90    92    84    85    86    87    81  
   88    89    94    95    96   101   106   114    82    84  
   83    90    91    97    98    99   100    92    93    84    85    86    87  
   90    91    97    92    93    84  
   85    86    87    90    92  
   86    87  
   87  
    0  
   89    94    95    96   101   102   103   106   107   114   115   105  
   94    95    96   101   106   114  
   91    97    98    99   100    92    93  
   97    98    99   100    92  
   93    97  
    0  
   95    96   101   102   103   104   106   114   108   105   110  
   96   101   102   103   114   105  
  101   102   103   114   105  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104   106   107   114   115   108   109   105   110   111   112   113  
  103   104   106   108   105   110  
  104   106   107   114   115   116   117   118   108   109   105   110  
  106   107   114   115   108   109   105  
  110   111   112   113   106   108  
  107   114   115   116   117   118   108   109  
  114   115   116   117   118   108  
  109   114   115  
    0  
  111   112   113  
  112   113  
  113  
    0  
  115   116   117   118  
  116   117   118  
  117   118  
  118  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
  106   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  108   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  109   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  110   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  114   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  115   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  118   2.5000   0.0300   0.060000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.229
   37    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    56   320.000  1.410
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    60   268.000  1.529
   58    59   340.000  1.090
   58    64   320.000  1.410
   58    65   268.000  1.529
   64    69   214.000  1.327
   69    70   570.000  1.229
   69    71   317.000  1.522
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    75   268.000  1.529
   73    74   340.000  1.090
   73    79   268.000  1.529
   73    81   320.000  1.410
   79    80   340.000  1.090
   79    82   268.000  1.529
   79    84   268.000  1.529
   82    83   340.000  1.090
   82    90   268.000  1.529
   82    92   320.000  1.410
   90    91   340.000  1.090
   90    39   268.000  1.529
   90    97   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   92    93   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   81    88   320.000  1.380
   88    89   340.000  1.090
   88    94   250.000  1.527
   88   114   320.000  1.380
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   101   268.000  1.529
  101   102   340.000  1.090
  101   103   268.000  1.529
  101   105   320.000  1.410
  103   104   340.000  1.090
  103   106   268.000  1.529
  103   108   320.000  1.410
  106   107   340.000  1.090
  106   114   320.000  1.410
  106   115   268.000  1.529
  115   116   340.000  1.090
  115   117   340.000  1.090
  115   118   340.000  1.090
  108   109   553.000  0.945
  105   110   320.000  1.410
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   56    57   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   42    43   570.000  1.307
   42    44   340.000  1.090
   42    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    46    70.00000  116.00000
   33    39    90    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    50.00000  109.50000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    35.00000  109.50000
   37    46    48    63.00000  111.10000
   37    46    50    63.00000  111.10000
   46    37    38    80.00000  120.40000
   46    48    49    37.50000  110.70000
   46    48    54    58.35000  112.70000
   46    48    56    50.00000  109.50000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    53    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    58    58.35000  112.70000
   48    54    60    58.35000  112.70000
   48    56    57    55.00000  108.50000
   54    48    49    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    64    50.00000  109.50000
   54    58    65    58.35000  112.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   58    54    55    37.50000  110.70000
   58    64    69    83.00000  116.90000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    68    37.50000  110.70000
   64    58    59    35.00000  109.50000
   64    69    70    83.00000  123.40000
   64    69    71    81.00000  111.40000
   69    71    72    35.00000  109.50000
   69    71    73    63.00000  111.10000
   69    71    75    63.00000  111.10000
   71    69    70    80.00000  120.40000
   71    73    74    37.50000  110.70000
   71    73    79    58.35000  112.70000
   71    73    81    50.00000  109.50000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    37.50000  110.70000
   73    71    72    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    82    58.35000  112.70000
   73    79    84    58.35000  112.70000
   73    81    88    60.00000  109.50000
   79    73    74    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    90    58.35000  112.70000
   79    82    92    50.00000  109.50000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    37.50000  110.70000
   82    79    80    37.50000  110.70000
   82    90    91    37.50000  110.70000
   82    90    39    58.35000  112.70000
   82    90    97    58.35000  112.70000
   82    92    93    55.00000  108.50000
   90    82    83    37.50000  110.70000
   90    39    40    37.50000  110.70000
   90    39    41    37.50000  110.70000
   90    97    98    37.50000  110.70000
   90    97    99    37.50000  110.70000
   90    97   100    37.50000  110.70000
   39    33    37    63.00000  111.10000
   39    90    91    37.50000  110.70000
   41    39    40    33.00000  107.80000
   97    90    91    37.50000  110.70000
   97    90    39    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
   92    82    83    35.00000  109.50000
   92    82    90    50.00000  109.50000
   84    79    80    37.50000  110.70000
   84    79    82    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   81    73    74    35.00000  109.50000
   81    73    79    50.00000  109.50000
   81    88    89    35.00000  109.50000
   81    88    94    90.00000  108.56700
   81    88   114    92.60000  111.55000
   88    94    95    45.00000  108.72000
   88    94    96    45.00000  108.72000
   88    94   101    75.00000  109.43000
   88   114   106    60.00000  109.50000
   94    88    89    45.00000  112.01100
   94   101   102    37.50000  110.70000
   94   101   103    58.35000  112.70000
   94   101   105    50.00000  109.50000
   96    94    95    33.00000  107.80000
  101    94    95    37.50000  110.70000
  101    94    96    37.50000  110.70000
  101   103   104    37.50000  110.70000
  101   103   106    58.35000  112.70000
  101   103   108    50.00000  109.50000
  101   105   110    60.00000  109.50000
  103   101   102    37.50000  110.70000
  103   106   107    37.50000  110.70000
  103   106   114    50.00000  109.50000
  103   106   115    58.35000  112.70000
  103   108   109    55.00000  108.50000
  106   103   104    37.50000  110.70000
  106   115   116    37.50000  110.70000
  106   115   117    37.50000  110.70000
  106   115   118    37.50000  110.70000
  114    88    89    35.00000  109.50000
  114    88    94    90.00000  108.56700
  114   106   107    35.00000  109.50000
  115   106   107    37.50000  110.70000
  115   106   114    50.00000  109.50000
  117   115   116    33.00000  107.80000
  118   115   116    33.00000  107.80000
  118   115   117    33.00000  107.80000
  108   103   104    35.00000  109.50000
  108   103   106    50.00000  109.50000
  105   101   102    35.00000  109.50000
  105   101   103    50.00000  109.50000
  105   110   111    35.00000  109.50000
  105   110   112    35.00000  109.50000
  105   110   113    35.00000  109.50000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   75    71    72    37.50000  110.70000
   75    71    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   65    58    59    37.50000  110.70000
   65    58    64    50.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   56    48    49    35.00000  109.50000
   56    48    54    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    46    48    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   42    33    37    63.00000  111.10000
   42    33    39    58.35000  112.70000
   44    42    43    45.00000  125.66300
   45    42    43    45.00000  125.66300
   45    42    44    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
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   89    88   114   106   0.37050  1.0 3.0
   94    88   114   106   0.06250  1.0 1.0
   94    88   114   106  -0.01100 -1.0 2.0
   94    88   114   106   0.28050  1.0 3.0
   94   101   103   104   0.15000  1.0 3.0
   94   101  -103   106   0.56750  1.0 1.0
   94   101  -103   106  -0.07550 -1.0 2.0
   94   101  -103   106   0.20000  1.0 3.0
   94   101   103   108   0.86500  1.0 1.0
   94   101   103   108  -0.17500 -1.0 2.0
   94   101   103   108   0.20800  1.0 3.0
   94   101   105   110   0.06250  1.0 1.0
   94   101   105   110  -0.01100 -1.0 2.0
   94   101   105   110   0.28050  1.0 3.0
   95    94   101   102   0.15000  1.0 3.0
   95    94   101   103   0.15000  1.0 3.0
   95    94   101   105   0.23400  1.0 3.0
   96    94   101   102   0.15000  1.0 3.0
   96    94   101   103   0.15000  1.0 3.0
   96    94   101   105   0.23400  1.0 3.0
  101   103   106   107   0.15000  1.0 3.0
  101   103   106   114   0.62750  1.0 1.0
  101   103   106   114  -0.30950 -1.0 2.0
  101   103   106   114   0.27300  1.0 3.0
  101   103   106   115   0.56750  1.0 1.0
  101   103   106   115  -0.07550 -1.0 2.0
  101   103   106   115   0.20000  1.0 3.0
  101   103   108   109  -0.11600  1.0 1.0
  101   103   108   109  -0.09450 -1.0 2.0
  101   103   108   109   0.21250  1.0 3.0
  101   105   110   111   0.37050  1.0 3.0
  101   105   110   112   0.37050  1.0 3.0
  101   105   110   113   0.37050  1.0 3.0
  102   101   103   104   0.15000  1.0 3.0
  102   101   103   106   0.15000  1.0 3.0
  102   101   103   108   0.23400  1.0 3.0
  102   101   105   110   0.37050  1.0 3.0
  103   101   105   110   0.06250  1.0 1.0
  103   101   105   110  -0.01100 -1.0 2.0
  103   101   105   110   0.28050  1.0 3.0
  103   106  -114    88   0.06250  1.0 1.0
  103   106  -114    88  -0.01100 -1.0 2.0
  103   106  -114    88   0.28050  1.0 3.0
  103   106   115   116   0.15000  1.0 3.0
  103   106   115   117   0.15000  1.0 3.0
  103   106   115   118   0.15000  1.0 3.0
  104   103   106   107   0.15000  1.0 3.0
  104   103   106   114   0.23400  1.0 3.0
  104   103   106   115   0.15000  1.0 3.0
  104   103   108   109   0.19450  1.0 3.0
  106   103   108   109  -0.11600  1.0 1.0
  106   103   108   109  -0.09450 -1.0 2.0
  106   103   108   109   0.21250  1.0 3.0
  107   106   114    88   0.37050  1.0 3.0
  107   106   115   116   0.15000  1.0 3.0
  107   106   115   117   0.15000  1.0 3.0
  107   106   115   118   0.15000  1.0 3.0
  114    88    94    95   0.23400  1.0 3.0
  114    88    94    96   0.23400  1.0 3.0
  114    88   -94   101   0.62750  1.0 1.0
  114    88   -94   101  -0.30950 -1.0 2.0
  114    88   -94   101   0.27300  1.0 3.0
  114   106   115   116   0.23400  1.0 3.0
  114   106   115   117   0.23400  1.0 3.0
  114   106   115   118   0.23400  1.0 3.0
  115   106   114    88   0.06250  1.0 1.0
  115   106   114    88  -0.01100 -1.0 2.0
  115   106   114    88   0.28050  1.0 3.0
  108   103   106   107   0.23400  1.0 3.0
  108   103   106   114   3.69350  1.0 1.0
  108   103   106   114  -1.82950 -1.0 2.0
  108   103   106   115   0.86500  1.0 1.0
  108   103   106   115  -0.17500 -1.0 2.0
  108   103   106   115   0.20800  1.0 3.0
  105   101   103   104   0.23400  1.0 3.0
  105   101   103   106   0.62750  1.0 1.0
  105   101   103   106  -0.30950 -1.0 2.0
  105   101   103   106   0.27300  1.0 3.0
  105   101   103   108   3.69350  1.0 1.0
  105   101   103   108  -1.82950 -1.0 2.0
   75    71    73    74   0.15000  1.0 3.0
   75    71    73    79   0.56750  1.0 1.0
   75    71    73    79  -0.07550 -1.0 2.0
   75    71    73    79   0.20000  1.0 3.0
   75    71    73    81   0.62750  1.0 1.0
   75    71    73    81  -0.30950 -1.0 2.0
   75    71    73    81   0.27300  1.0 3.0
   65    58    64    69  -0.25900  1.0 1.0
   65    58    64    69  -0.47000 -1.0 2.0
   65    58    64    69   0.11750  1.0 3.0
   60    54    58    59   0.15000  1.0 3.0
   60    54    58    64   0.62750  1.0 1.0
   60    54    58    64  -0.30950 -1.0 2.0
   60    54    58    64   0.27300  1.0 3.0
   60    54    58    65   0.56750  1.0 1.0
   60    54    58    65  -0.07550 -1.0 2.0
   60    54    58    65   0.20000  1.0 3.0
   56    48    54    55   0.23400  1.0 3.0
   56    48    54    58   0.86500  1.0 1.0
   56    48    54    58  -0.17500 -1.0 2.0
   56    48    54    58   0.20800  1.0 3.0
   56    48    54    60   0.86500  1.0 1.0
   56    48    54    60  -0.17500 -1.0 2.0
   56    48    54    60   0.20800  1.0 3.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    54   0.56750  1.0 1.0
   50    46    48    54  -0.07550 -1.0 2.0
   50    46    48    54   0.20000  1.0 3.0
   50    46    48    56   0.86500  1.0 1.0
   50    46    48    56  -0.17500 -1.0 2.0
   50    46    48    56   0.20800  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    46   0.60050  1.0 1.0
   42    33    37    46   0.05600 -1.0 2.0
   42    33    37    46   0.26150  1.0 3.0
   42    33    39    90   0.56750  1.0 1.0
   42    33    39    90  -0.07550 -1.0 2.0
   42    33    39    90   0.20000  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   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
   35    30    34    36  10.50000 -1.0 2.0
   33    46    37    38  10.50000 -1.0 2.0
   64    71    69    70  10.50000 -1.0 2.0
END
