* LIGAND DATABASE FILE (OPLS2005)
*
001     118   119    212    301     609
    1     0 S   NP   _N1_     1    28.71499    94.58540   -19.43023
    2     1 S   H    _HN1     2     1.02980    99.55612    45.58541
    3     1 S   H    _H1_     3     1.02835    31.48927   152.80088
    4     1 S   H    _H2_     4     1.02786    81.95940   -61.66723
    5     1 S   CT   _CA1     5     1.50131   139.43259  -176.59268
    6     5 S   HC   _HA1     6     1.09585   105.24232    42.94134
    7     5 S   CO3  _C1_     7     1.53727   112.44305   -77.09199
    8     7 S   O2Z  _O11     8     1.26366   115.06341   -44.85752
    9     7 S   O2Z  _O12     9     1.26221   114.97168   134.51842
   10     5 S   CT   _CB1    10     1.53082   107.31115   160.59733
   11    10 S   HC   HB11    11     1.09813   109.04949   -53.43844
   12    10 S   HC   HB12    12     1.09791   110.45410    62.91611
   13    10 S   CT   _CG1    13     1.52996   112.87595  -174.83893
   14    13 S   HC   HG11    14     1.09609   110.14122   -64.74969
   15    13 S   HC   HG12    15     1.09630   110.24369    54.44093
   16    13 S   C    _CD1    16     1.51824   112.19562   174.43983
   17    16 S   O    _OE1    17     1.22748   123.13251   -14.01253
   18    16 S   N    _N2_    18     1.38602   111.76437   167.02275
   19    18 S   H    _HN2    19     1.01587   119.11298     0.13417
   20    18 S   CT1  _CA2    20     1.46289   123.40942  -178.58432
   21    20 S   HC   _HA2    21     1.09745   109.22743   -16.02371
   22    20 S   C    _C2_    22     1.53426   108.45543  -131.59780
   23    22 S   O    _O2_    23     1.23005   122.32052  -147.63209
   24    20 S   CT   _CB2    32     1.53495   111.37177   105.99346
   25    24 S   HC   HB21    33     1.09505   109.53269    54.46633
   26    24 S   HC   HB22    34     1.09501   110.52505   173.49277
   27    22 S   N    _N3_    24     1.38549   113.34950    40.00266
   28    27 S   H    _HN3    25     1.01522   118.86502    -0.69182
   29    24 S   S    _SG2    35     1.82848   111.32367   -66.90273
   30    27 S   CT   _CA3    26     1.45432   123.39417   174.93964
   31    30 S   HC   HA31    27     1.09528   109.14610    26.00865
   32    30 S   HC   HA32    28     1.09492   107.13829   143.01402
   33    29 S   CT   _C16    36     1.81792   100.22535   173.48844
   34    33 S   HC   _H9_    37     1.09726   101.98454    52.44009
   35    30 S   CO3  _C3_    29     1.52936   113.21588   -97.39500
   36    35 S   O2Z  _O31    30     1.26396   115.46740   -42.61356
   37    35 S   O2Z  _O32    31     1.26365   114.94140   138.34891
   38    33 S   CM   _C15    38     1.51139   115.27241   164.02269
   39    38 S   HC   _H18    39     1.09425   110.51798  -151.86095
   40    33 S   CM   _C17    74     1.53409   113.48888   -65.43357
   41    38 S   CM   _C14    40     1.34345   136.04916    27.28418
   42    41 S   HC   _H17    41     1.09191   114.24877  -177.48238
   43    40 S   CT   _C27    75     1.51424   116.29548   -54.63263
   44    43 S   HC   _H25    76     1.09291   109.84479   -60.32875
   45    43 S   HC   _H26    77     1.09311   113.62899  -179.83449
   46    43 S   HC   _H27    78     1.09362   111.36980    60.36887
   47    41 S   CT   _C13    42     1.51010   132.55931     1.96134
   48    47 S   HC   _H8_    43     1.09023   111.69502    -5.42079
   49    47 S   CT   _C12    44     1.56338   113.82467   116.33364
   50    49 S   HC   _H7_    45     1.09930   109.42809   153.86668
   51    47 S   OS   _O37   114     1.43932   108.16672  -124.86896
   52    49 S   CM   _C11    46     1.53706   115.21580    34.22886
   53    49 S   OS   _O38   108     1.45185   108.73992   -89.11756
   54    51 S   CT   _C28   115     1.42207   113.29362    83.98829
   55    54 S   HC   _H28   116     1.09338   108.14529   179.56659
   56    54 S   HC   _H29   117     1.09416   110.48722    61.10047
   57    54 S   HC   _H30   118     1.09356   111.00947   -61.69488
   58    52 S   CM   _C10    47     1.35067   121.36852   -98.62047
   59    58 S   HC   _H16    48     1.09169   116.62603     1.35364
   60    52 S   CT   _C30   104     1.50400   114.62683    79.61335
   61    60 S   HC   _H33   105     1.09225   111.85452  -139.47258
   62    60 S   HC   _H34   106     1.09410   110.39774    97.92671
   63    60 S   HC   _H35   107     1.09384   111.61492   -21.32928
   64    53 S   CO4  _C29   109     1.36151   117.89390   -83.07428
   65    64 S   O    _O39   110     1.22508   125.68556     0.89918
   66    58 S   CT   _C9_    49     1.52206   132.70371   179.76930
   67    66 S   HC   _H6_    50     1.09774   103.22290   143.32267
   68    64 S   N    _N5_   111     1.36787   110.08875  -179.04756
   69    68 S   H    _H31   112     1.01712   121.11571   179.36234
   70    68 S   H    _H32   113     1.01291   121.24515    -0.21122
   71    66 S   CT   _C8_    51     1.55892   108.73215  -101.94603
   72    71 S   HC   _H5_    52     1.09703   107.62500   -40.50251
   73    66 S   CT   _C31   100     1.53051   116.05881    29.27505
   74    73 S   HC   _H36   101     1.09287   112.93340   -81.78641
   75    73 S   HC   _H37   102     1.09511   110.35978   158.40276
   76    73 S   HC   _H38   103     1.09533   111.24002    40.61558
   77    71 S   CT   _C7_    53     1.55496   115.54682  -160.88313
   78    77 S   HC   _H4_    54     1.09575   108.02651   175.64382
   79    71 S   OS   _O40    95     1.44048   107.70278    75.13867
   80    77 S   CT   _C6_    55     1.54342   114.29929    54.46119
   81    80 S   HC   _H14    56     1.09821   108.34537   -72.77291
   82    80 S   HC   _H15    57     1.09728   108.91506   174.59300
   83    77 S   OS   _O41    90     1.43650   108.31588   -67.84326
   84    79 S   CT   _C32    96     1.42060   114.06268  -158.85266
   85    84 S   HC   _H39    97     1.09349   108.04045   171.21944
   86    84 S   HC   _H40    98     1.09378   111.05838    52.48116
   87    84 S   HC   _H41    99     1.09270   110.93754   -70.58012
   88    80 S   CT   _C5_    58     1.54847   116.39664    51.21912
   89    88 S   HC   _H3_    59     1.09615   108.65319   -57.32826
   90    83 S   CT   _C33    91     1.42074   113.88408  -154.36071
   91    90 S   HC   _H42    92     1.09346   108.10184   177.10173
   92    90 S   HC   _H43    93     1.09417   110.61200    58.62644
   93    90 S   HC   _H44    94     1.09271   111.21482   -64.25754
   94    88 S   CT   _C24    60     1.55744   112.33061    62.90479
   95    94 S   HC   _H10    61     1.09659   108.69064   -52.77696
   96    88 S   CT   _C4_    86     1.53930   107.84133  -172.28088
   97    96 S   HC   _H11    87     1.09485   111.72907   -65.48651
   98    96 S   HC   _H12    88     1.09362   111.56983   173.01610
   99    96 S   HC   _H13    89     1.09583   110.56282    54.45723
  100    94 S   CM   _C23    62     1.52005   111.46763  -172.43636
  101    94 S   OS   _O33    81     1.43585   108.38744    64.58553
  102   100 S   CM   _C22    63     1.34206   124.80047   -93.81821
  103   102 S   HC   _H20    64     1.08711   119.92197    -0.42336
  104   101 S   CT   _C25    82     1.42272   112.99294  -151.25096
  105   104 S   HC   _H21    83     1.09325   108.21709  -177.74397
  106   104 S   HC   _H22    84     1.09429   110.27542    63.76730
  107   104 S   HC   _H23    85     1.09387   111.05162   -58.64694
  108   102 S   CM   _C21    65     1.43702   123.60986   176.07280
  109   108 S   CM   _C20    66     1.33574   122.91535     4.40647
  110   109 S   HC   _H19    67     1.08393   122.37650   179.23664
  111   108 S   OH   _O35    79     1.37695   114.28228  -175.38132
  112   111 S   HO   _H24    80     0.97279   108.27750  -179.75853
  113   109 S   CD   _C19    68     1.48485   119.79145     1.99164
  114   100 S   CO4  _C26    69     1.49659   117.05832    85.92302
  115   114 S   O    _O34    70     1.22133   120.62034    -4.42576
  116   113 S   NI   _N4_    71     1.30475   116.82214   171.70291
  117   116 S   CMA  _C18    72     1.37912   122.46911  -173.79638
  118   117 S   OM   _O36    73     1.26528   111.50334    94.89438
  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  10   4   9   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   9   4   3   2   1   1   7   8   4   2   1
   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41   117    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    47   116   117   118    40    43    44    45    46  
   38    39    41   117    40    43  
   36    37  
   37  
    0  
   39    41    42    47    48    49   117    40    43    51  
   41    42    47    40  
   43    44    45    46    41   113   116   117   118  
   42    47    48    49    50    52    53    51    54  
   47    48    49    51  
   44    45    46   116   117   118  
   45    46   117  
   46   117  
  117  
   48    49    50    52    58    60    53    64    51    54    55    56    57  
   49    50    52    53    51    54  
   50    52    58    59    66    60    61    62    63    53    64    65    68    51    54  
   52    58    60    53    64    51  
   54    55    56    57    52    53  
   58    59    66    67    71    73    60    61    62    63    53    64  
   64    65    68    69    70    58    60  
   55    56    57  
   56    57  
   57  
    0  
   59    66    67    71    72    77    79    73    74    75    76    60    61    62    63  
   66    67    71    73    60  
   61    62    63    66  
   62    63  
   63  
    0  
   65    68    69    70  
   68    69    70  
   67    71    72    77    78    80    83    79    84    73    74    75    76  
   71    72    77    79    73    74    75    76  
   69    70  
   70  
    0  
   72    77    78    80    81    82    88    83    90    79    84    85    86    87    73    74    75    76  
   77    78    80    83    79    84    73  
   74    75    76    77    79  
   75    76  
   76  
    0  
   78    80    81    82    88    89    94    96    83    90    91    92    93    79    84  
   80    81    82    88    83    90    79  
   84    85    86    87    80    83  
   81    82    88    89    94    95   100   101    96    97    98    99    83    90  
   82    88    89    94    96    83  
   88    89    94    96    83  
   90    91    92    93    88  
   85    86    87  
   86    87  
   87  
    0  
   89    94    95   100   102   114   101   104    96    97    98    99  
   94    95   100   101    96    97    98    99  
   91    92    93  
   92    93  
   93  
    0  
   95   100   102   103   108   113   114   115   101   104   105   106   107    96    97    98    99  
  100   102   114   101   104    96  
   97    98    99   100   101  
   98    99  
   99  
    0  
  102   103   108   109   113   114   115   116   111   101   104  
  104   105   106   107   102   114  
  103   108   109   110   113   114   115   111   112  
  108   109   114   111  
  105   106   107  
  106   107  
  107  
    0  
  109   110   113   114   116   111   112  
  110   113   114   115   116   117   111   112  
  113   114   116   111  
  112   113  
    0  
  114   115   116   117   118  
  115   116   117  
  116  
  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   0.107500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   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   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   69   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   70   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   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  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
  102   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  103   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
  109   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
  110   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  111   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
  112   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
  113   3.7500   0.1050   0.393000   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   3.2800   0.1700  -0.912200   1.8540   1.6400   0.005000000   0.000000000
  117   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
  118   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
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   317.000  1.510
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    47   317.000  1.510
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   320.000  1.410
   49    50   340.000  1.090
   49    52   317.000  1.510
   49    53   320.000  1.410
   52    58   549.000  1.340
   52    60   317.000  1.510
   58    59   340.000  1.080
   58    66   317.000  1.510
   66    67   340.000  1.090
   66    71   268.000  1.529
   66    73   268.000  1.529
   71    72   340.000  1.090
   71    77   268.000  1.529
   71    79   320.000  1.410
   77    78   340.000  1.090
   77    80   268.000  1.529
   77    83   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    88   268.000  1.529
   88    89   340.000  1.090
   88    94   268.000  1.529
   88    96   268.000  1.529
   94    95   340.000  1.090
   94   100   317.000  1.510
   94   101   320.000  1.410
  100   102   549.000  1.340
  100   114   320.000  1.462
  102   103   340.000  1.080
  102   108   380.000  1.444
  108   109   549.000  1.340
  108   111   510.000  1.338
  109   110   340.000  1.080
  109   113   320.000  1.464
  113   114   275.000  1.494
  113   116   500.000  1.261
  114   115   570.000  1.229
  116   117   405.000  1.380
  117   118   745.000  1.250
  117    40   465.000  1.376
   40    43   317.000  1.510
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
  111   112   553.000  0.945
  101   104   320.000  1.410
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   83    90   320.000  1.410
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   79    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   53    64   214.000  1.327
   64    65   570.000  1.229
   64    68   435.000  1.380
   68    69   434.000  1.010
   68    70   434.000  1.010
   51    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40   117    70.00000  124.00000
   33    40    43    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    70.00000  124.00000
   41    38    39    35.00000  120.00000
   41    47    48    35.00000  109.50000
   41    47    49    70.00000  112.02700
   41    47    51    85.00000  110.90400
   47    41    42    35.00000  117.00000
   47    49    50    37.50000  110.70000
   47    49    52    70.00000  112.02700
   47    49    53    50.00000  109.50000
   47    51    54    60.00000  109.50000
   49    47    48    37.50000  110.70000
   49    52    58    70.00000  124.00000
   49    52    60    65.00000  117.92700
   49    53    64    83.00000  116.90000
   52    49    50    35.00000  109.50000
   52    58    59    35.00000  120.00000
   52    58    66    70.00000  124.00000
   52    60    61    35.00000  109.50000
   52    60    62    35.00000  109.50000
   52    60    63    35.00000  109.50000
   58    66    67    35.00000  109.50000
   58    66    71    70.00000  112.02700
   58    66    73    70.00000  112.02700
   66    58    59    35.00000  117.00000
   66    71    72    37.50000  110.70000
   66    71    77    58.35000  112.70000
   66    71    79    50.00000  109.50000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    37.50000  110.70000
   71    66    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    80    58.35000  112.70000
   71    77    83    50.00000  109.50000
   71    79    84    60.00000  109.50000
   77    71    72    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    88    58.35000  112.70000
   77    83    90    60.00000  109.50000
   80    77    78    37.50000  110.70000
   80    88    89    37.50000  110.70000
   80    88    94    58.35000  112.70000
   80    88    96    58.35000  112.70000
   82    80    81    33.00000  107.80000
   88    80    81    37.50000  110.70000
   88    80    82    37.50000  110.70000
   88    94    95    37.50000  110.70000
   88    94   100    70.00000  112.02700
   88    94   101    50.00000  109.50000
   88    96    97    37.50000  110.70000
   88    96    98    37.50000  110.70000
   88    96    99    37.50000  110.70000
   94    88    89    37.50000  110.70000
   94   100   102    70.00000  124.00000
   94   100   114    65.00000  116.34900
   94   101   104    60.00000  109.50000
  100    94    95    35.00000  109.50000
  100   102   103    35.00000  120.00000
  100   102   108    70.00000  123.01800
  100   114   113    65.00000  118.65900
  100   114   115    80.00000  123.72100
  102   108   109    70.00000  123.01800
  102   108   111    80.00000  121.38400
  108   102   103    35.00000  120.00000
  108   109   110    35.00000  120.00000
  108   109   113    60.00000  120.31500
  108   111   112    70.00000  107.45700
  109   113   114    65.00000  118.96000
  109   113   116    70.00000  121.86000
  113   109   110    40.00000  114.85300
  113   114   115    75.00000  122.07900
  113   116   117    75.00000  115.77100
  114   100   102    65.00000  118.96000
  116   113   114    60.00000  126.98800
  116   117   118    65.00000  121.00000
  116   117    40    70.00000  120.83400
  117    40    43    70.00000  124.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40   117   118    65.00000  137.10300
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
  111   108   109    80.00000  121.38400
  101    94    95    35.00000  109.50000
  101    94   100    85.00000  110.90400
  101   104   105    35.00000  109.50000
  101   104   106    35.00000  109.50000
  101   104   107    35.00000  109.50000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   96    88    89    37.50000  110.70000
   96    88    94    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    80    50.00000  109.50000
   83    90    91    35.00000  109.50000
   83    90    92    35.00000  109.50000
   83    90    93    35.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   79    71    72    35.00000  109.50000
   79    71    77    50.00000  109.50000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    71    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   60    52    58    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   53    49    50    35.00000  109.50000
   53    49    52    85.00000  110.90400
   53    64    65    83.00000  123.40000
   53    64    68   110.00000  108.75700
   64    68    69    50.00000  116.34900
   64    68    70    50.00000  116.34900
   68    64    65    85.00000  125.96000
   70    68    69    35.00000  120.00000
   51    47    48    35.00000  109.50000
   51    47    49    50.00000  109.50000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
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   79    71    77    80   0.27300  1.0 3.0
   79    71    77    83   1.11900  1.0 1.0
   79    71    77    83  -1.16350 -1.0 2.0
   79    71    77    83  -0.34150  1.0 3.0
   73    66    71    72   0.15000  1.0 3.0
   73    66    71    77   0.56750  1.0 1.0
   73    66    71    77  -0.07550 -1.0 2.0
   73    66    71    77   0.20000  1.0 3.0
   73    66    71    79   0.62750  1.0 1.0
   73    66    71    79  -0.30950 -1.0 2.0
   73    66    71    79   0.27300  1.0 3.0
   60    52    58    59   7.00000 -1.0 2.0
   60    52    58    66   7.00000 -1.0 2.0
   53    49    52    58   0.39000  1.0 1.0
   53    49    52    58  -0.05800 -1.0 2.0
   53    49    52    58  -0.55150  1.0 3.0
   53    49    52    60   0.09700  1.0 1.0
   53    49    52    60   0.15600 -1.0 2.0
   53    49    52    60  -0.50800  1.0 3.0
   53    64    68    69   2.56700 -1.0 2.0
   53    64    68    70   2.56700 -1.0 2.0
   65    64    68    69   2.45000 -1.0 2.0
   65    64    68    70   2.45000 -1.0 2.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    52   0.61850  1.0 1.0
   51    47    49    52  -0.22750 -1.0 2.0
   51    47    49    52   0.15300  1.0 3.0
   51    47    49    53   1.11900  1.0 1.0
   51    47    49    53  -1.16350 -1.0 2.0
   51    47    49    53  -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    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   49    60    52    58   1.10000 -1.0 2.0
   66    59    58    52   1.10000 -1.0 2.0
   94   114   100   102   1.10000 -1.0 2.0
  108   103   102   100   1.10000 -1.0 2.0
  102   111   108   109   1.10000 -1.0 2.0
  113   110   109   108   1.10000 -1.0 2.0
  109   114   113   116  10.50000 -1.0 2.0
  100   113   114   115  10.50000 -1.0 2.0
  116   118   117    40   1.10000 -1.0 2.0
   33    43    40   117   1.10000 -1.0 2.0
   53    68    64    65  10.50000 -1.0 2.0
   70    64    68    69   1.00000 -1.0 2.0
END
