* LIGAND DATABASE FILE (OPLS2005)
*
001     116   119    215    337     637
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02052    92.42346    36.38126
    3     1 S   H    _H1_     3     1.02148    33.08602   157.98708
    4     1 S   H    _H2_     4     1.02085    88.05589   -72.26592
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.67109    58.72486
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.86128    96.31851   161.87552
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C12    37     1.55564   109.24720   -60.04250
   38    33 S   CT   _C23    96     1.57428   112.42699   179.44928
   39    33 S   OH   _O41   115     1.42885   105.44370    61.87144
   40    39 S   HO   _H81   116     0.96749   106.08809   -59.31017
   41    37 S   CMA  _C10    38     1.37073   124.55364   120.14287
   42    41 S   OM   _O35    39     1.26862   127.07416   -11.19859
   43    38 S   OH   _O42    97     1.43187   107.65928   -55.84585
   44    43 S   HO   _H82    98     0.96805   106.04424    60.89493
   45    41 S   CA   _C5_    40     1.52496   114.70151   164.11592
   46    45 S   CA   _C6_    41     1.40449   122.35735    17.55830
   47    46 S   CA   _C7_    42     1.40651   120.89064  -179.86294
   48    46 S   CT   _C17    80     1.49180   120.18034     3.85107
   49    48 S   HC   _H45    81     1.10283   111.31140    91.07815
   50    48 S   HC   _H46    82     1.10389   107.23837  -152.94959
   51    47 S   CA   _C4_    43     1.39066   120.80266     1.23194
   52    51 S   HA   _H44    44     1.08740   120.29192   179.33295
   53    47 S   NE   _N33    71     1.41584   121.29340  -179.31244
   54    37 S   CT   _C19    83     1.53003   111.30373   -64.66342
   55    54 S   HC   _H49    84     1.12896   103.31142    50.11781
   56    51 S   CA   _C8_    45     1.38682   119.42791    -0.53595
   57    53 S   CT   _C27    72     1.44757   120.22083   -89.46988
   58    57 S   HC   _H61    73     1.09349   110.05211  -179.96044
   59    57 S   HC   _H62    74     1.09258   110.24637    60.01596
   60    57 S   HC   _H63    75     1.09348   110.22777   -60.00689
   61    53 S   CT   _C28    76     1.44674   120.27385    89.88592
   62    61 S   HC   _H64    77     1.09306   110.09841   180.00000
   63    61 S   HC   _H65    78     1.09364   110.23478    60.01565
   64    61 S   HC   _H66    79     1.09354   110.23035   -60.00477
   65    54 S   CT   _C18    85     1.53317   109.42500   -62.26728
   66    65 S   HC   _H47    86     1.08032   109.41127   179.38706
   67    65 S   HC   _H48    87     1.07907   110.41989   -61.84244
   68    45 S   CA   _C9_    46     1.41568   120.68056  -161.04134
   69    56 S   N    _N31    49     1.39755   119.01827   179.94405
   70    69 S   H    _H77    50     1.02549   116.16510   179.95577
   71    65 S   CT   _C21    88     1.55264   110.65739    59.78346
   72    71 S   HC   _H51    89     1.11006   106.41988    63.63257
   73    68 S   OH   _O39    47     1.37205   122.04319    -2.85039
   74    73 S   HO   _H79    48     0.96753   109.74849    -0.10835
   75    69 S   C    _C16    51     1.40269   128.10024     0.12195
   76    75 S   O    _O38    52     1.22687   126.77819     0.49456
   77    71 S   CT   _C20    90     1.54620   110.44337   178.60928
   78    77 S   HC   _H50    91     1.10037   107.72670   -42.42195
   79    75 S   CT1  _C31    53     1.51684   111.05889   179.95154
   80    79 S   HC   _H73    54     1.09489   109.74463    59.95521
   81    79 S   HC   _H74    55     1.09400   108.95284   -59.07383
   82    77 S   CM   _C13    92     1.50868   112.59364    77.08477
   83    77 S   NT   _N34   106     1.46988   111.11912  -159.33409
   84    79 S   NT   _N32    56     1.44078   109.92173  -179.54115
   85    84 S   H    _H78    57     1.02430   110.03999   -60.04212
   86    82 S   CM   _C11    93     1.34824   123.76496    19.60696
   87    82 S   OH   _O40   104     1.38333   111.65908  -159.02475
   88    87 S   HO   _H80   105     0.96079   109.47690    -1.39872
   89    83 S   CT   _C29   107     1.45979   110.15034  -165.14067
   90    89 S   HC   _H67   108     1.09266   110.11391   179.98022
   91    89 S   HC   _H68   109     1.09276   110.24058    59.94231
   92    89 S   HC   _H69   110     1.09328   110.20394   -60.01649
   93    83 S   CT   _C30   111     1.45903   110.18796    72.31829
   94    93 S   HC   _H70   112     1.09255   110.10871   180.00000
   95    93 S   HC   _H71   113     1.09390   110.24293    60.00054
   96    93 S   HC   _H72   114     1.09342   110.25088   -59.93388
   97    84 S   CT   _C32    58     1.46258   111.51061   179.57387
   98    86 S   CO4  _C14    94     1.50422   120.12497     3.10476
   99    98 S   O    _O36    95     1.23268   118.24634  -179.65508
  100    86 S   C    _C15    99     1.47615   120.89959  -176.82713
  101   100 S   O    _O37   100     1.22541   121.50715  -119.99511
  102    97 S   CT   _C24    59     1.53329   109.29232  -178.65943
  103   102 S   HC   _H52    60     1.09602   111.15548   -60.40773
  104   102 S   HC   _H53    61     1.09582   111.30303    59.98221
  105   102 S   HC   _H54    62     1.09634   111.06306  -179.73020
  106    97 S   CT   _C25    63     1.53189   109.08572   -58.60362
  107   106 S   HC   _H55    64     1.09699   111.14589    60.25517
  108   106 S   HC   _H56    65     1.09682   111.15073   -58.95258
  109   106 S   HC   _H57    66     1.09552   111.43445  -179.38040
  110    97 S   CT   _C26    67     1.53352   109.30395    61.42596
  111   110 S   HC   _H58    68     1.09623   111.10554   -60.24730
  112   110 S   HC   _H59    69     1.09484   111.32155    60.13875
  113   110 S   HC   _H60    70     1.09587   111.14307  -179.55413
  114   100 S   N    _N30   101     1.37336   113.16306    60.01903
  115   114 S   H    _H75   102     1.01471   118.55546     0.03426
  116   114 S   H    _H76   103     1.01511   122.84453   179.97202
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   2   1   1  19  19   6   1  11   4   8   2  13  15  18  11
   4   3  10   4   9   7   4   8   7   3   2   1   3   2   1   1
   9   4   3   5   8   3  11   5   1   1   7   4  16   6   8   4
   3  11  10  14   4   9   3   1   7   3   2   1   3   2   1   1
  12   4   1   4   3  11   4   3   2   7   3   2   1   3   2   1
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    71    98    38    43    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    48    54    55    65    71    72    77    86    98    99    38    43    44    39    40  
   35    36  
   36  
    0  
   41    42    45    46    68    48    49    50    54    55    65    66    67    71    98    38    43    39    40  
   43    44   100    83    39    40    41    54    65    66    67    71    72    77    78    82    86    98    99  
   40    41    43    54    71    98  
    0  
   42    45    46    47    56    68    73    48    54    55    65  
   45    46    68    54  
   44    65    71    72    77    86    98    99  
   71    98  
   46    47    51    56    68    73    74    69    53    48    49    50    54  
   47    51    52    56    68    73    53    57    61    48    49    50    54    55    65  
   51    52    56    68    69    53    57    58    59    60    61    62    63    64    48    49    50    54  
   49    50    54    55    65    66    67    71    51    53    68  
   50    54    55    65  
   54    55    65  
   52    56    68    73    69    70    75    53    57    61  
   56    68    69    53  
   57    58    59    60    61    62    63    64    56  
   55    65    66    67    71    72    77  
   65    66    67    71  
   68    73    74    69    70    75    76    79  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64  
   63    64  
   64  
    0  
   66    67    71    72    77    78    82    98    83  
   67    71    72    77  
   71    72    77  
   73    74    69    70    75  
   70    75    76    79    80    81    84    73  
   75    76    79  
   72    77    78    82    86    98    99    87    83    89    93  
   77    78    82    98    83  
   74  
    0  
   76    79    80    81    84    85    97  
   79    80    81    84  
   78    82    86    98   100    87    88    83    89    90    91    92    93    94    95    96  
   82    86    87    83    89    93  
   80    81    84    85    97   102   106   110  
   81    84    85    97  
   84    85    97  
   86    98    99   100   101   114    87    88    83    89    93  
   89    90    91    92    93    94    95    96    86    87  
   85    97   102   103   104   105   106   107   108   109   110   111   112   113  
   97   102   106   110  
   98    99   100   101   114   115   116    87    88  
   88    98   100  
    0  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93  
   94    95    96  
   95    96  
   96  
    0  
  102   103   104   105   106   107   108   109   110   111   112   113  
   99   100   101   114  
  100  
  101   114   115   116  
  114   115   116  
  103   104   105   106   107   108   109   110   111   112   113  
  104   105   106   110  
  105   106   110  
  106   110  
  107   108   109   110   111   112   113  
  108   109   110  
  109   110  
  110  
  111   112   113  
  112   113  
  113  
    0  
  115   116  
  116  
    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   0.432500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   70   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   77   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   83   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   84   3.3000   0.1700  -0.702500   1.8650   1.6500   0.051222218  -2.220205820
   85   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   87   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   98   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  100   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
  115   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
  116   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
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  1.510
   33    38   268.000  1.529
   33    39   320.000  1.410
   37    41   465.000  1.376
   37    54   317.000  1.510
   41    42   745.000  1.250
   41    45   320.000  1.460
   45    46   469.000  1.400
   45    68   469.000  1.400
   46    47   469.000  1.400
   46    48   317.000  1.510
   47    51   469.000  1.400
   47    53   481.000  1.340
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    68   469.000  1.400
   56    69   360.000  1.404
   68    73   450.000  1.364
   73    74   553.000  0.945
   69    70   434.000  1.010
   69    75   490.000  1.335
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   305.000  1.457
   84    85   434.000  1.010
   84    97   382.000  1.448
   97   102   268.000  1.529
   97   106   268.000  1.529
   97   110   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   53    57   382.000  1.448
   53    61   382.000  1.448
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    55   340.000  1.090
   54    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    77   268.000  1.529
   71    38   268.000  1.529
   77    78   340.000  1.090
   77    82   317.000  1.510
   77    83   382.000  1.448
   82    86   549.000  1.340
   82    87   510.000  1.338
   86    98   320.000  1.462
   86   100   410.000  1.444
   98    99   570.000  1.229
   98    38   317.000  1.522
   38    43   320.000  1.410
   43    44   553.000  0.945
  100   101   570.000  1.229
  100   114   490.000  1.335
  114   115   434.000  1.010
  114   116   434.000  1.010
   87    88   553.000  0.945
   83    89   382.000  1.448
   83    93   382.000  1.448
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   39    40   553.000  0.945
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  112.20000
   29    33    38    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    41    70.00000  124.00000
   33    37    54    65.00000  117.92700
   33    38    71    58.35000  112.70000
   33    38    98    63.00000  111.10000
   33    38    43    50.00000  109.50000
   33    39    40    55.00000  108.50000
   37    41    42    65.00000  137.10300
   37    41    45    60.00000  123.20500
   37    54    48    70.00000  112.02700
   37    54    55    35.00000  109.50000
   37    54    65    70.00000  112.02700
   41    45    46    60.00000  120.93500
   41    45    68    60.00000  120.93500
   45    41    42    85.00000  114.86500
   45    46    47    63.00000  120.00000
   45    46    48    70.00000  120.00000
   45    68    56    63.00000  120.00000
   45    68    73    70.00000  120.00000
   46    47    51    63.00000  120.00000
   46    47    53    70.00000  120.10000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    54    70.00000  112.17500
   47    51    52    35.00000  120.00000
   47    51    56    63.00000  120.00000
   47    53    57    50.00000  120.00000
   47    53    61    50.00000  120.00000
   51    56    68    63.00000  120.00000
   51    56    69    70.00000  119.01900
   56    51    52    35.00000  120.00000
   56    68    73    70.00000  120.00000
   56    69    70    45.00000  118.23600
   56    69    75    65.00000  121.96500
   68    45    46    63.00000  120.00000
   68    73    74    35.00000  113.00000
   69    56    68    70.00000  119.01900
   69    75    76    80.00000  122.90000
   69    75    79    70.00000  116.60000
   75    69    70    35.00000  119.80000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    84    75.00000  111.54000
   79    75    76    80.00000  120.40000
   79    84    85    50.00000  111.55300
   79    84    97    51.80000  107.20000
   81    79    80    33.00000  107.80000
   84    79    80    50.00000  109.55000
   84    79    81    50.00000  109.55000
   84    97   102    56.20000  109.47000
   84    97   106    56.20000  109.47000
   84    97   110    56.20000  109.47000
   97    84    85    35.00000  109.50000
   97   102   103    37.50000  110.70000
   97   102   104    37.50000  110.70000
   97   102   105    37.50000  110.70000
   97   106   107    37.50000  110.70000
   97   106   108    37.50000  110.70000
   97   106   109    37.50000  110.70000
   97   110   111    37.50000  110.70000
   97   110   112    37.50000  110.70000
   97   110   113    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106    97   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  110    97   102    58.35000  112.70000
  110    97   106    58.35000  112.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   53    47    51    70.00000  120.10000
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    60    35.00000  109.50000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    53    57    50.00000  115.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   48    46    47    70.00000  120.00000
   48    54    55    37.50000  110.70000
   48    54    65    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    37    41    70.00000  124.00000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    65    66    37.50000  110.70000
   54    65    67    37.50000  110.70000
   54    65    71    58.35000  112.70000
   65    54    55    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    77    58.35000  112.70000
   65    71    38    58.35000  112.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    82    70.00000  112.02700
   71    77    83    56.20000  109.47000
   71    38    98    63.00000  111.10000
   71    38    43    50.00000  109.50000
   77    71    72    37.50000  110.70000
   77    82    86    70.00000  124.00000
   77    82    87    90.00000  109.34000
   77    83    89    51.80000  107.20000
   77    83    93    51.80000  107.20000
   82    77    78    35.00000  109.50000
   82    86    98    65.00000  118.96000
   82    86   100    70.00000  118.70000
   82    87    88    70.00000  107.45700
   86    98    99    80.00000  123.72100
   86    98    38    65.00000  118.62400
   86   100   101    80.00000  125.30000
   86   100   114    80.00000  111.56200
   98    38    43    90.00000  109.61100
   38    33    37    70.00000  112.02700
   38    71    72    37.50000  110.70000
   38    71    77    58.35000  112.70000
   38    98    99    80.00000  120.40000
   38    43    44    55.00000  108.50000
  100    86    98    55.00000  123.68000
  100   114   115    35.00000  119.80000
  100   114   116    35.00000  119.80000
  114   100   101    80.00000  122.90000
  116   114   115    35.00000  120.00000
   87    82    86    80.00000  121.38400
   83    77    78    35.00000  109.50000
   83    77    82    75.00000  110.70900
   83    89    90    35.00000  109.50000
   83    89    91    35.00000  109.50000
   83    89    92    35.00000  109.50000
   83    93    94    35.00000  109.50000
   83    93    95    35.00000  109.50000
   83    93    96    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    83    89    51.80000  107.20000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   39    33    37    90.00000  110.39200
   39    33    38    50.00000  109.50000
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
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
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   77    83    93    94   0.28000  1.0 3.0
   77    83    93    95   0.28000  1.0 3.0
   77    83    93    96   0.28000  1.0 3.0
   78    77    82    86   0.00000  1.0 1.0
   78    77    82    87   0.00000  1.0 1.0
   78    77    83    89   0.28000  1.0 3.0
   78    77    83    93   0.28000  1.0 3.0
   82    77    83    89  -0.60800  1.0 1.0
   82    77    83    89   1.10050 -1.0 2.0
   82    77    83    89   0.47000  1.0 3.0
   82    77    83    93  -0.60800  1.0 1.0
   82    77    83    93   1.10050 -1.0 2.0
   82    77    83    93   0.47000  1.0 3.0
   82    86    98    99   1.00000 -1.0 2.0
   82    86    98    38  -0.33500  1.0 1.0
   82    86    98    38   1.06600 -1.0 2.0
   82    86    98    38  -0.14000  1.0 3.0
   82    86   100   101   1.00000 -1.0 2.0
   82    86   100   114   0.49500  1.0 1.0
   82    86   100   114   1.31600 -1.0 2.0
   82    86   100   114  -0.02300  1.0 3.0
   86    82    87    88  -0.66100  1.0 1.0
   86    82    87    88   1.20850 -1.0 2.0
   86    82    87    88  -0.36000  1.0 3.0
   86    98    38    33   0.65300  1.0 1.0
   86    98    38    33  -0.03850 -1.0 2.0
   86    98    38    33   0.33900  1.0 3.0
   86    98   -38    71   0.65300  1.0 1.0
   86    98   -38    71  -0.03850 -1.0 2.0
   86    98   -38    71   0.33900  1.0 3.0
   86    98    38    43   0.65300  1.0 1.0
   86    98    38    43  -0.03850 -1.0 2.0
   86    98    38    43   0.33900  1.0 3.0
   86   100   114   115   2.56700 -1.0 2.0
   86   100   114   116   2.56700 -1.0 2.0
   98    86   100   101   2.50000 -1.0 2.0
   98    86   100   114   1.50000 -1.0 2.0
   98    38    43    44   0.91850  1.0 1.0
   98    38    43    44   0.57950  1.0 3.0
   99    98    38    33   0.30150 -1.0 2.0
   99    98    38    71   0.30150 -1.0 2.0
   99    98    38    43   0.30150 -1.0 2.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33   -37    54   0.46850  1.0 1.0
   38    33   -37    54   0.08550 -1.0 2.0
   38    33   -37    54   0.09800  1.0 3.0
   38    33    39    40  -0.11600  1.0 1.0
   38    33    39    40  -0.09450 -1.0 2.0
   38    33    39    40   0.21250  1.0 3.0
   38    71    77    78   0.15000  1.0 3.0
   38    71   -77    82   0.34400  1.0 1.0
   38    71   -77    82   0.09450 -1.0 2.0
   38    71   -77    82   0.11100  1.0 3.0
   38    71    77    83   1.85550  1.0 1.0
   38    71    77    83  -0.84100 -1.0 2.0
  100    86    98    99   2.50000 -1.0 2.0
  100    86    98    38   1.50000 -1.0 2.0
  101   100   114   115   2.45000 -1.0 2.0
  101   100   114   116   2.45000 -1.0 2.0
   87    82    86    98   7.00000 -1.0 2.0
   87    82    86   100   7.00000 -1.0 2.0
   83    77    82    86   0.90200  1.0 1.0
   83    77    82    86   0.57900 -1.0 2.0
   83    77    82    86  -0.62100  1.0 3.0
   83    77    82    87   0.09700  1.0 1.0
   83    77    82    87   0.15600 -1.0 2.0
   83    77    82    87  -0.50800  1.0 3.0
   89    83    93    94   0.28000  1.0 3.0
   89    83    93    95   0.28000  1.0 3.0
   89    83    93    96   0.28000  1.0 3.0
   93    83    89    90   0.28000  1.0 3.0
   93    83    89    91   0.28000  1.0 3.0
   93    83    89    92   0.28000  1.0 3.0
   39    33    37    41   0.67800  1.0 1.0
   39    33    37    41   0.47050 -1.0 2.0
   39    33    37    41  -0.62500  1.0 3.0
   39    33    37    54   0.18000  1.0 1.0
   39    33    37    54   0.16450 -1.0 2.0
   39    33    37    54   0.04450  1.0 3.0
   39    33    38    71   0.86500  1.0 1.0
   39    33    38    71  -0.17500 -1.0 2.0
   39    33    38    71   0.20800  1.0 3.0
   39    33    38    98  -0.09450  1.0 1.0
   39    33    38    98  -1.12950 -1.0 2.0
   39    33    38    98   0.54000  1.0 3.0
   39    33    38    43   3.75450  1.0 1.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    54    37    41   1.10000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   46    68    45    41   4.00000 -1.0 2.0
   47    48    46    45   4.00000 -1.0 2.0
   51    53    47    46   4.00000 -1.0 2.0
   56    52    51    47   1.10000 -1.0 2.0
   68    69    56    51   4.00000 -1.0 2.0
   56    73    68    45   4.00000 -1.0 2.0
   70    75    69    56   1.00000 -1.0 2.0
   69    79    75    76  10.50000 -1.0 2.0
   61    47    53    57   1.00000 -1.0 2.0
   77    87    82    86   1.10000 -1.0 2.0
   98   100    86    82   1.10000 -1.0 2.0
   86    38    98    99  10.50000 -1.0 2.0
   86   114   100   101  10.50000 -1.0 2.0
  116   100   114   115   1.00000 -1.0 2.0
END
