* LIGAND DATABASE FILE (OPLS2005)
*
001     112   113    215    321     638
    1     0 S   NP   _N1_     1    29.20637    97.92270   -18.89329
    2     1 S   H    _HN1     2     1.02779    78.76198   -93.68286
    3     1 S   H    _H1_     3     1.02950    71.25751    20.33904
    4     1 S   H    _H2_     4     1.02829    57.19543   146.24745
    5     1 S   CT   _CA1     5     1.50134   166.65314   119.69548
    6     5 S   HC   _HA1     6     1.09566   105.19079    82.87701
    7     5 S   CO3  _C1_     7     1.53809   112.51410   -37.35987
    8     7 S   O2Z  _O11     8     1.26383   114.97636   -39.22001
    9     7 S   O2Z  _O12     9     1.26241   115.00354   139.98269
   10     5 S   CT   _CB1    10     1.53101   107.43354  -159.01752
   11    10 S   HC   HB11    11     1.09828   109.46146   -48.44445
   12    10 S   HC   HB12    12     1.09816   110.38975    68.21650
   13    10 S   CT   _CG1    13     1.52974   112.60383  -169.40801
   14    13 S   HC   HG11    14     1.09579   110.56817   -64.72487
   15    13 S   HC   HG12    15     1.09665   109.84291    54.48834
   16    13 S   C    _CD1    16     1.51810   112.33869   174.98855
   17    16 S   O    _OE1    17     1.22718   123.32053     4.82227
   18    16 S   N    _N2_    18     1.38610   111.56226  -175.54315
   19    18 S   H    _HN2    19     1.01589   118.92441     1.91275
   20    18 S   CT1  _CA2    20     1.46294   123.54360   179.65793
   21    20 S   HC   _HA2    21     1.09731   109.42613    -4.55840
   22    20 S   C    _C2_    22     1.53413   108.52095  -120.14223
   23    22 S   O    _O2_    23     1.23030   122.35054  -148.42630
   24    20 S   CT   _CB2    32     1.53319   111.12480   117.49797
   25    24 S   HC   HB21    33     1.09569   109.52880    55.06974
   26    24 S   HC   HB22    34     1.09474   110.83750   174.04642
   27    22 S   N    _N3_    24     1.38360   113.54432    39.09948
   28    27 S   H    _HN3    25     1.01622   119.50257    -3.61146
   29    24 S   S    _SG2    35     1.82909   111.06094   -66.30115
   30    27 S   CT   _CA3    26     1.45283   123.15447   176.99600
   31    30 S   HC   HA31    27     1.09551   107.52729   -63.88733
   32    30 S   HC   HA32    28     1.09558   107.95199    52.52587
   33    29 S   CT   _C8_    36     1.84338    99.87019   152.54954
   34    33 S   HC   _H5_    37     1.09470   105.47102   -45.74582
   35    30 S   CO3  _C3_    29     1.52940   114.12245   174.50906
   36    35 S   O2Z  _O31    30     1.26373   116.06716    -0.79868
   37    35 S   O2Z  _O32    31     1.26432   114.41240   179.25822
   38    33 S   CT   _C9_    38     1.54367   109.38621    71.61421
   39    38 S   HC   _H19    39     1.09632   112.47224   123.82415
   40    38 S   HC   _H20    40     1.09652   113.27899     4.25841
   41    33 S   CT   _C7_    59     1.56461   113.57068  -163.14110
   42    41 S   HC   _H4_    60     1.09954   105.36100  -161.93346
   43    38 S   CO4  _C10    41     1.52117   110.58231  -116.42011
   44    43 S   O    _O33    42     1.23150   120.92015   104.80550
   45    41 S   CT   _C28    61     1.53314   114.62118   -46.58471
   46    45 S   HC   _H45    62     1.09324   112.82296    69.71482
   47    45 S   HC   _H46    63     1.09493   110.94809   -51.74610
   48    45 S   HC   _H47    64     1.09571   110.18613  -170.46319
   49    43 S   CT   _C11    43     1.52805   117.25275   -75.18874
   50    49 S   HC   _H6_    44     1.09296   107.06310     7.59365
   51    49 S   CT   _C12    45     1.53976   109.74939   126.32241
   52    51 S   HC   _H21    46     1.09705   108.97469   -50.92088
   53    51 S   HC   _H22    47     1.09896   108.60809    63.06382
   54    49 S   CT   _C27   109     1.52517   108.78172  -109.30226
   55    54 S   HC   _H42   110     1.09546   111.30778   -67.89197
   56    54 S   HC   _H43   111     1.09421   111.30528   171.23153
   57    54 S   HC   _H44   112     1.09572   110.80089    51.56049
   58    51 S   CT   _C13    48     1.54676   115.60509  -174.96106
   59    58 S   HC   _H7_    49     1.09855   107.92260   -61.27801
   60    58 S   CT   _C14    50     1.55498   114.22026    57.40890
   61    60 S   HC   _H8_    51     1.09564   106.37894   -56.80038
   62    58 S   CT   _C26   105     1.53667   109.77677  -175.49459
   63    62 S   HC   _H39   106     1.09415   111.99408   -61.12675
   64    62 S   HC   _H40   107     1.09464   111.32503   177.68108
   65    62 S   HC   _H41   108     1.09564   110.38039    58.61090
   66    60 S   CT   _C15    52     1.55404   114.17615    64.22393
   67    66 S   HC   _H9_    53     1.09569   109.48525    -4.51232
   68    60 S   OS   _O36    76     1.43731   107.12326  -172.39282
   69    66 S   CO4  _C16    54     1.52096   109.30443  -121.02476
   70    69 S   O    _O34    55     1.22378   124.43986   -55.46343
   71    66 S   CT   _C17    72     1.52632   115.52321   116.51640
   72    71 S   HC   _H23    73     1.09458   111.83478    64.01589
   73    71 S   HC   _H24    74     1.09457   111.11416   -57.69478
   74    71 S   HC   _H25    75     1.09606   110.39123  -177.17742
   75    68 S   CO   _C18    77     1.43348   113.54668   131.40451
   76    75 S   HC   _H10    78     1.09753   108.53708    52.56143
   77    69 S   OS   _O35    56     1.36316   109.50210   123.57839
   78    75 S   CT   _C19    79     1.53720   107.48104   171.92044
   79    78 S   HC   _H11    80     1.09510   108.71269    52.63115
   80    77 S   CT   _C6_    57     1.45050   118.29013  -173.33138
   81    80 S   HC   _H3_    58     1.09822   109.30132   -30.70032
   82    78 S   CT   _C20    81     1.53569   110.22200   174.48019
   83    82 S   HC   _H12    82     1.09843   107.83452    68.90447
   84    78 S   OH   _O38   103     1.42824   110.59282   -64.63396
   85    84 S   HO   _H38   104     0.97275   108.39819   -51.14661
   86    80 S   CT   _C5_    65     1.53422   107.02332  -147.40839
   87    86 S   HC   _H17    66     1.09414   110.82542  -172.03676
   88    86 S   HC   _H18    67     1.09486   110.37899   -51.91348
   89    82 S   CT   _C21    83     1.52779   111.41823   -51.21303
   90    89 S   HC   _H26    84     1.09524   111.01854   174.40213
   91    89 S   HC   _H27    85     1.09650   109.93983   -66.35731
   92    82 S   NP   _N4_    93     1.52706   110.19379  -177.13331
   93    92 S   H    _H31    94     1.03037   104.83557   -42.56554
   94    86 S   CT   _C4_    68     1.52544   111.77274    67.00297
   95    94 S   HC   _H14    69     1.09448   111.40445   -61.56808
   96    94 S   HC   _H15    70     1.09415   110.01087   178.82397
   97    94 S   HC   _H16    71     1.09457   110.98953    59.32395
   98    89 S   CT   _C22    86     1.53096   109.26660    52.67408
   99    98 S   HC   _H13    87     1.09737   110.60839    62.53587
  100    92 S   CT   _C24    95     1.50604   116.38151    73.57629
  101   100 S   HC   _H32    96     1.09270   108.99518    70.98107
  102   100 S   HC   _H33    97     1.09370   107.66828  -169.43137
  103   100 S   HC   _H34    98     1.09097   109.08004   -50.80231
  104    92 S   CT   _C25    99     1.50756   112.64283  -156.66549
  105   104 S   HC   _H35   100     1.09253   108.82517   -67.29188
  106   104 S   HC   _H36   101     1.09302   108.26959    53.70819
  107   104 S   HC   _H37   102     1.09340   107.98780   172.35227
  108    75 S   OS   _O37    88     1.43075   110.53990   -68.27390
  109    98 S   CT   _C23    89     1.52230   111.18617  -176.59625
  110   109 S   HC   _H28    90     1.09565   111.07108    61.00978
  111   109 S   HC   _H29    91     1.09413   111.33309   -60.36861
  112   109 S   HC   _H30    92     1.09551   110.30504   178.97550
  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
  17   8   2   1   1  12   5   4  14   8  11   4   7   3   2   1
  12   8  16   6   5   4   2   1   1  13   8  19   7   5   2   1
   1  11   8  10   9   3   4   2   1   1  13   6   6  14   7   8
   4  20   9   4   1   6   5   4  13   6   5  10   8   3   2   1
   1   6   5   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    80    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    77    80    81    41    42    45    46    47    48    86  
   38    39    40    43    80    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    49    50    51    80    41    42    45    54  
   40    43    44    49    41  
   43    44    49    41  
   42    45    46    47    48    86    87    88    94    43    69    77    80    81  
   45    46    47    48    86    77    80    81  
   44    49    50    51    52    53    58    54    55    56    57  
   49    50    51    54  
   46    47    48    86    77    80    81  
   47    48    80  
   48    80  
   80  
   50    51    52    53    58    59    60    62    54    55    56    57  
   51    52    53    58    54    55    56    57  
   52    53    58    59    60    61    66    68    62    63    64    65    54    55    56    57  
   53    58    59    60    62    54  
   58    59    60    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    66    67    69    71    68    75    62    63    64    65  
   60    61    66    68    62    63    64    65  
   61    66    67    69    70    77    71    72    73    74    68    75    76    78   108    62    63    64    65  
   66    67    69    71    68    75    62  
   63    64    65    66    68  
   64    65  
   65  
    0  
   67    69    70    77    80    71    72    73    74    68    75  
   69    70    77    71    72    73    74    68  
   75    76    78    79    82    98   108    84    69    71  
   70    77    80    81    86    71    72    73    74  
   77    80    71  
   72    73    74    77  
   73    74  
   74  
    0  
   76    78    79    82    83    89    98    99   108   109    92    84    85  
   78    79    82    98   108    84  
   80    81    86    87    88    94  
   79    82    83    89    90    91    98   108    92    93   100   104    84    85  
   82    83    89   108    92    84    85  
   81    86    87    88    94    95    96    97  
   86    87    88    94  
   83    89    90    91    98    99   108   109    92    93   100   101   102   103   104   105   106   107    84    85  
   89    90    91    98    92    93   100   104    84  
   85    89    92   108  
    0  
   87    88    94    95    96    97  
   88    94    95    96    97  
   94    95    96    97  
   90    91    98    99   108   109   110   111   112    92    93   100   104  
   91    98    99   108   109    92  
   98    99   108   109    92  
   93   100   101   102   103   104   105   106   107    98  
  100   101   102   103   104   105   106   107  
   95    96    97  
   96    97  
   97  
    0  
   99   108   109   110   111   112  
  108   109   110   111   112  
  101   102   103   104   105   106   107  
  102   103   104  
  103   104  
  104  
  105   106   107  
  106   107  
  107  
    0  
  109   110   111   112  
  110   111   112  
  111   112  
  112  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   93   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
  100   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  108   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   317.000  1.522
   43    44   570.000  1.229
   43    49   317.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   268.000  1.529
   60    61   340.000  1.090
   60    66   268.000  1.529
   60    68   320.000  1.410
   66    67   340.000  1.090
   66    69   317.000  1.522
   66    71   268.000  1.529
   69    70   570.000  1.229
   69    77   214.000  1.327
   77    80   320.000  1.410
   80    81   340.000  1.090
   80    41   268.000  1.529
   80    86   268.000  1.529
   41    42   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   68    75   320.000  1.380
   75    76   340.000  1.090
   75    78   250.000  1.527
   75   108   320.000  1.380
   78    79   340.000  1.090
   78    82   268.000  1.529
   78    84   320.000  1.410
   82    83   340.000  1.090
   82    89   268.000  1.529
   82    92   367.000  1.471
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    98   268.000  1.529
   98    99   340.000  1.090
   98   108   320.000  1.410
   98   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   92    93   434.000  1.010
   92   100   367.000  1.471
   92   104   367.000  1.471
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   84    85   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    63.00000  111.10000
   33    41    80    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    80.00000  120.40000
   38    43    49    70.00000  116.00000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    63.00000  111.10000
   43    49    54    63.00000  111.10000
   49    43    44    80.00000  120.40000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    58    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    58.35000  112.70000
   51    58    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    66    58.35000  112.70000
   58    60    68    50.00000  109.50000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   60    58    59    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    69    63.00000  111.10000
   60    66    71    58.35000  112.70000
   60    68    75    60.00000  109.50000
   66    60    61    37.50000  110.70000
   66    69    70    80.00000  120.40000
   66    69    77    81.00000  111.40000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   69    66    67    35.00000  109.50000
   69    77    80    83.00000  116.90000
   77    69    70    83.00000  123.40000
   77    80    81    35.00000  109.50000
   77    80    41    50.00000  109.50000
   77    80    86    50.00000  109.50000
   80    41    42    37.50000  110.70000
   80    41    45    58.35000  112.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    94    58.35000  112.70000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    80    81    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   45    41    42    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   86    80    81    37.50000  110.70000
   86    80    41    58.35000  112.70000
   86    94    95    37.50000  110.70000
   86    94    96    37.50000  110.70000
   86    94    97    37.50000  110.70000
   88    86    87    33.00000  107.80000
   94    86    87    37.50000  110.70000
   94    86    88    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    69    63.00000  111.10000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   68    60    61    35.00000  109.50000
   68    60    66    50.00000  109.50000
   68    75    76    35.00000  109.50000
   68    75    78    90.00000  108.56700
   68    75   108    92.60000  111.55000
   75    78    79    45.00000  108.72000
   75    78    82    75.00000  109.43000
   75    78    84    90.00000  111.58700
   75   108    98    60.00000  109.50000
   78    75    76    45.00000  112.01100
   78    82    83    37.50000  110.70000
   78    82    89    58.35000  112.70000
   78    82    92    80.00000  111.20000
   78    84    85    55.00000  108.50000
   82    78    79    37.50000  110.70000
   82    89    90    37.50000  110.70000
   82    89    91    37.50000  110.70000
   82    89    98    58.35000  112.70000
   82    92    93    35.00000  109.50000
   82    92   100    75.00000  113.01200
   82    92   104    75.00000  113.01200
   89    82    83    37.50000  110.70000
   89    98    99    37.50000  110.70000
   89    98   108    50.00000  109.50000
   89    98   109    58.35000  112.70000
   91    89    90    33.00000  107.80000
   98    89    90    37.50000  110.70000
   98    89    91    37.50000  110.70000
   98   109   110    37.50000  110.70000
   98   109   111    37.50000  110.70000
   98   109   112    37.50000  110.70000
  108    75    76    35.00000  109.50000
  108    75    78    90.00000  108.56700
  108    98    99    35.00000  109.50000
  109    98    99    37.50000  110.70000
  109    98   108    50.00000  109.50000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   92    82    83    35.00000  109.50000
   92    82    89    80.00000  111.20000
   92   100   101    35.00000  109.50000
   92   100   102    35.00000  109.50000
   92   100   103    35.00000  109.50000
   92   104   105    35.00000  109.50000
   92   104   106    35.00000  109.50000
   92   104   107    35.00000  109.50000
  100    92    93    35.00000  109.50000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    92    93    35.00000  109.50000
  104    92   100    75.00000  113.01200
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   84    78    79    35.00000  109.50000
   84    78    82    50.00000  109.50000
   62    58    59    37.50000  110.70000
   62    58    60    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    58.35000  112.70000
   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
    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
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
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   92    82    89    98  -0.11450 -1.0 2.0
   92    82    89    98   0.24250  1.0 3.0
   93    92   100   101   0.13050  1.0 3.0
   93    92   100   102   0.13050  1.0 3.0
   93    92   100   103   0.13050  1.0 3.0
   93    92   104   105   0.13050  1.0 3.0
   93    92   104   106   0.13050  1.0 3.0
   93    92   104   107   0.13050  1.0 3.0
  100    92   104   105   0.15000  1.0 3.0
  100    92   104   106   0.15000  1.0 3.0
  100    92   104   107   0.15000  1.0 3.0
  104    92   100   101   0.15000  1.0 3.0
  104    92   100   102   0.15000  1.0 3.0
  104    92   100   103   0.15000  1.0 3.0
   84    78    82    83   0.23400  1.0 3.0
   84    78    82    89   0.86500  1.0 1.0
   84    78    82    89  -0.17500 -1.0 2.0
   84    78    82    89   0.20800  1.0 3.0
   84    78    82    92   1.69300  1.0 1.0
   84    78    82    92  -0.48450 -1.0 2.0
   62    58    60    61   0.15000  1.0 3.0
   62    58    60    66   0.56750  1.0 1.0
   62    58    60    66  -0.07550 -1.0 2.0
   62    58    60    66   0.20000  1.0 3.0
   62    58    60    68   0.62750  1.0 1.0
   62    58    60    68  -0.30950 -1.0 2.0
   62    58    60    68   0.27300  1.0 3.0
   54    49    51    52   0.15000  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49    51    58   0.56750  1.0 1.0
   54    49    51    58  -0.07550 -1.0 2.0
   54    49    51    58   0.20000  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
   38    49    43    44  10.50000 -1.0 2.0
   66    77    69    70  10.50000 -1.0 2.0
END
