* LIGAND DATABASE FILE (OPLS2005)
*
001     106   110    208    327     610
    1     0 S   NP   _N1_     1    28.79044    95.08247   -25.73418
    2     1 S   H    _HN1     2     1.02786   115.89941   -87.28938
    3     1 S   H    _H1_     3     1.02949    75.44110    16.34942
    4     1 S   H    _H2_     4     1.02828    31.79288  -169.52287
    5     1 S   CT   _CA1     5     1.50112   126.37016   121.18337
    6     5 S   HC   _HA1     6     1.09572   105.19509    91.02984
    7     5 S   CO3  _C1_     7     1.53790   112.47872   -29.20753
    8     7 S   O2Z  _O11     8     1.26372   115.00655   -42.18235
    9     7 S   O2Z  _O12     9     1.26241   114.94982   136.96545
   10     5 S   CT   _CB1    10     1.53081   107.42166  -150.97734
   11    10 S   HC   HB11    11     1.09833   109.37563   -49.66684
   12    10 S   HC   HB12    12     1.09812   110.44398    66.94390
   13    10 S   CT   _CG1    13     1.52988   112.60512  -170.64325
   14    13 S   HC   HG11    14     1.09581   110.63157   -65.67347
   15    13 S   HC   HG12    15     1.09670   109.78247    53.55554
   16    13 S   C    _CD1    16     1.51801   112.23693   174.01906
   17    16 S   O    _OE1    17     1.22730   123.29272     7.04587
   18    16 S   N    _N2_    18     1.38653   111.66434  -173.05285
   19    18 S   H    _HN2    19     1.01580   118.92219     1.77718
   20    18 S   CT1  _CA2    20     1.46197   123.40525   177.49407
   21    20 S   HC   _HA2    21     1.09736   109.37144     2.93452
   22    20 S   C    _C2_    22     1.53563   108.61269  -112.55140
   23    22 S   O    _O2_    23     1.23060   122.26875  -147.85340
   24    20 S   CT   _CB2    32     1.53354   111.57207   124.96749
   25    24 S   HC   HB21    33     1.09587   110.02842    55.98243
   26    24 S   HC   HB22    34     1.09416   110.00129   175.01591
   27    22 S   N    _N3_    24     1.38326   113.71738    39.59133
   28    27 S   H    _HN3    25     1.01582   119.59399    -3.31588
   29    24 S   S    _SG2    35     1.82806   111.48623   -64.96962
   30    27 S   CT   _CA3    26     1.45287   123.21875   177.14851
   31    30 S   HC   HA31    27     1.09548   107.50541   -64.71744
   32    30 S   HC   HA32    28     1.09556   107.99245    51.72546
   33    29 S   CT   _C20    36     1.83920    99.72210   171.47622
   34    33 S   HC   _H3_    37     1.09617   107.54299   -44.73401
   35    30 S   CO3  _C3_    29     1.52963   114.07281   173.72390
   36    35 S   O2Z  _O31    30     1.26377   116.06504    -0.72497
   37    35 S   O2Z  _O32    31     1.26427   114.41399   179.33795
   38    33 S   CM   _C5_    38     1.50926   107.11973  -162.56513
   39    38 S   HC   _H39    39     1.08866   117.09831   -73.33148
   40    33 S   CT   _C12    94     1.53368   110.33456    75.61904
   41    40 S   HC   _H43    95     1.09821   110.28886    61.34941
   42    40 S   HC   _H44    96     1.09585   111.46361   -57.61492
   43    38 S   CM   _C4_    40     1.34069   122.94848   107.61818
   44    43 S   HC   _H38    41     1.08456   121.41582    -0.97478
   45    43 S   CO4  _C8_    42     1.47834   120.42258   177.90866
   46    45 S   O    _O28    43     1.21976   125.31164     2.02874
   47    45 S   OS   _O33    44     1.35816   107.14258  -176.18494
   48    47 S   CT   _C16    45     1.43923   117.92916   172.52577
   49    48 S   HC   _H51    46     1.09514   107.18503   119.77963
   50    48 S   HC   _H52    47     1.09448   112.61083     1.91213
   51    48 S   CT   _C14    48     1.53022   108.84607  -121.95270
   52    51 S   HC   _H47    49     1.09640   109.25360  -177.17513
   53    51 S   HC   _H48    50     1.09774   107.64934   -61.18844
   54    51 S   CT   _C22    51     1.54628   114.03105    58.80170
   55    54 S   HC   _H60    52     1.09577   108.26930   -51.22227
   56    54 S   CT   _C21    53     1.54534   110.20895  -169.19620
   57    56 S   HC   _H59    54     1.09661   110.85371    47.36636
   58    54 S   CT   _C29   103     1.53519   110.96412    66.52834
   59    58 S   HC   _H66   104     1.09500   111.59563    56.41419
   60    58 S   HC   _H67   105     1.09384   111.21343   -63.93817
   61    58 S   HC   _H68   106     1.09474   111.16819   177.13167
   62    56 S   CO4  _C10    55     1.52244   111.09550   166.67499
   63    62 S   O    _O30    56     1.22363   124.50109   113.19667
   64    56 S   OH   _O38   101     1.41932   109.96859   -71.19775
   65    64 S   HO   _H72   102     0.97274   107.60192   178.62044
   66    62 S   OS   _O34    57     1.36507   109.44939   -67.31126
   67    66 S   CT   _C17    58     1.43644   117.10187   176.31188
   68    67 S   HC   _H53    59     1.09537   109.74371    32.36187
   69    67 S   HC   _H54    60     1.09327   107.45048   -82.73241
   70    67 S   CT   _C25    61     1.56619   111.29275   155.13462
   71    70 S   CT   _C13    62     1.56296   108.58597   -56.49355
   72    71 S   HC   _H45    63     1.09522   110.02407  -179.58693
   73    71 S   HC   _H46    64     1.09497   111.46028    62.76095
   74    70 S   CT   _C26    81     1.61346   112.44808    66.60633
   75    71 S   CT   _C11    65     1.53448   113.78029   -59.69750
   76    75 S   HC   _H41    66     1.09711   108.03361  -165.24750
   77    75 S   HC   _H42    67     1.09661   109.95090    78.86512
   78    97 S   C3T  _C27    82     1.48656   107.64076   -62.06348
   79    74 S   CT   _C30    87     1.53357   114.48533   -61.90861
   80    79 S   HC   _H69    88     1.09286   112.39269   -50.83081
   81    79 S   HC   _H70    89     1.09555   111.98013  -169.80198
   82    79 S   HC   _H71    90     1.09259   111.26616    71.02927
   83    75 S   CM   _C7_    68     1.50429   113.55270   -43.52124
   84    78 S   C3T  _C18    83     1.50911   124.83837   -89.64541
   85    84 S   HC   _H55    84     1.08258   118.27853     7.44471
   86    84 S   HC   _H56    85     1.08176   119.25357   154.98424
   87    83 S   CM   _C6_    69     1.34332   121.95463    13.04152
   88    87 S   HC   _H40    70     1.08777   119.45937  -178.83500
   89    78 S   O3T  _O36    86     1.43578   114.31389  -156.76743
   90    83 S   CT   _C28    97     1.50031   116.11149  -167.08442
   91    90 S   HC   _H63    98     1.09482   110.22271   -59.02756
   92    90 S   HC   _H64    99     1.09505   112.18311  -179.05374
   93    90 S   HC   _H65   100     1.09477   110.31761    60.83134
   94    70 S   CT   _C19    71     1.57796   107.71574  -172.68713
   95    94 S   HC   _H57    72     1.09730   108.84898   -42.53020
   96    94 S   OS   _O37    73     1.43795   113.94592  -162.66663
   97    96 S   CT   _C24    74     1.42898   115.55799    45.55357
   98    97 S   HC   _H62    75     1.09422   108.21083   174.48580
   99    97 S   CT   _C15    76     1.53679   112.02912    50.83916
  100    99 S   HC   _H49    77     1.09641   109.80561   149.36427
  101    99 S   HC   _H50    78     1.09429   112.08805    29.43920
  102    99 S   CT   _C23    79     1.55183   104.93843   -91.94121
  103   102 S   HC   _H61    80     1.09200   111.83662   126.62206
  104   102 S   OS   _O35    91     1.44848   107.63009  -113.60467
  105   104 S   CO4  _C9_    92     1.36160   117.27306   -87.31133
  106   105 S   O    _O29    93     1.22478   125.75763    -2.80435
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  10   4   7   4   3   5   3   6   2   7   9
   5   4  12   5   4  12   8  11   6   5   2   1   1   8   3   2
   1   7  15   5   4  25  15   7   6  23  10   4   3  18  11   3
   2   1   9   8   3   2   9   4   5   4   2   1   1   6   2   6
   7   4   6   4   3   4   2   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    43   105    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45   104   105   106    40    41    42  
   38    39    43   105    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    46    47   105    40    41    42  
   43    44    45    40  
   41    42    43   102   104   105   106  
   42   104   105   106  
  104   105   106  
   44    45    46    47    48  
   45    46    47  
   46    47    48    49    50    51  
   47    48  
   48    49    50    51    52    53    54  
   49    50    51    52    53    54    55    56    58  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    57    62    64    58    59    60    61  
   53    54    55    56    58  
   54    55    56    58  
   55    56    57    62    63    66    64    65    58    59    60    61  
   56    57    62    64    58    59    60    61  
   57    62    63    66    67    64    65    58    59    60    61  
   62    63    66    64    65    58  
   59    60    61    62    64  
   60    61  
   61  
    0  
   63    66    67    68    69    70    64    65  
   66    67    64  
   65    66  
    0  
   67    68    69    70    71    94    74  
   68    69    70    71    72    73    75    87    94    95    96   102    74    78    79  
   69    70    71    94    74  
   70    71    94    74  
   71    72    73    75    76    77    83    87    88    94    95    96    97    99   102   103    74    78    84    89    79    80    81    82   104  
   72    73    75    76    77    83    87    94    95    96   102    74    78    79    90  
   73    75    76    77    83    94    74  
   75    76    77    83    94    74  
   78    84    85    86    89    79    80    81    82   104   105    75    87    94    95    96    97    98    99   100   101   102   103  
   76    77    83    87    88    94    90    91    92    93  
   77    83    87    90  
   83    87    90  
   84    85    86    89    79    80    81    82   104    94    96    97    98    99   100   101   102   103  
   80    81    82   104    84    89    94    97    99   102   103  
   81    82   102  
   82   102  
  102  
   87    88    94    95    96    90    91    92    93  
   85    86    89    96    97    98    99   102  
   86    89    97  
   89    97  
   88    94    95    96    97    90    91    92    93  
   94    95    96    90  
   96    97    98    99   102  
   91    92    93    94  
   92    93  
   93  
    0  
   95    96    97    98    99   102  
   96    97  
   97    98    99   100   101   102  
   98    99   100   101   102   103   104  
   99   100   101   102  
  100   101   102   103   104   105  
  101   102   103   104  
  102   103   104  
  103   104   105   106  
  104   105  
  105   106  
  106  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.030000   1.3810   1.2100   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   97   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  104   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  105   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.430000   1.6780   1.4800   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   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    45   320.000  1.462
   45    46   570.000  1.229
   45    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   268.000  1.529
   56    57   340.000  1.090
   56    62   317.000  1.522
   56    64   320.000  1.410
   62    63   570.000  1.229
   62    66   214.000  1.327
   66    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   268.000  1.529
   70    94   268.000  1.529
   70    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    83   317.000  1.510
   83    87   549.000  1.340
   83    90   317.000  1.510
   87    88   340.000  1.080
   87    94   317.000  1.510
   94    95   340.000  1.090
   94    96   320.000  1.410
   96    97   320.000  1.410
   97    98   340.000  1.090
   97    99   268.000  1.529
   97    78   275.000  1.510
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   340.000  1.090
  102    74   268.000  1.529
  102   104   320.000  1.410
   74    78   275.000  1.510
   74    79   268.000  1.529
   78    84   260.000  1.509
   78    89   335.000  1.432
   84    85   340.000  1.088
   84    86   340.000  1.088
   84    89   335.000  1.432
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
  104   105   214.000  1.327
  105   106   570.000  1.229
  105    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   64    65   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40   105    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    45    65.00000  118.96000
   43    38    39    35.00000  120.00000
   43    45    46    80.00000  123.72100
   43    45    47    90.00000  111.29400
   45    43    44    40.00000  117.72500
   45    47    48    83.00000  116.90000
   47    45    46    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    35.00000  109.50000
   47    48    51    50.00000  109.50000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    58.35000  112.70000
   51    54    58    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    62    63.00000  111.10000
   54    56    64    50.00000  109.50000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   56    54    55    37.50000  110.70000
   56    62    63    80.00000  120.40000
   56    62    66    81.00000  111.40000
   56    64    65    55.00000  108.50000
   62    56    57    35.00000  109.50000
   62    66    67    83.00000  116.90000
   66    62    63    83.00000  123.40000
   66    67    68    35.00000  109.50000
   66    67    69    35.00000  109.50000
   66    67    70    50.00000  109.50000
   67    70    71    58.35000  112.70000
   67    70    94    58.35000  112.70000
   67    70    74    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   70    71    75    58.35000  112.70000
   70    94    87    70.00000  112.02700
   70    94    95    37.50000  110.70000
   70    94    96    50.00000  109.50000
   70    74   102    58.35000  112.70000
   70    74    78    70.00000  112.37300
   70    74    79    58.35000  112.70000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    83    70.00000  112.02700
   73    71    72    33.00000  107.80000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   75    83    87    70.00000  124.00000
   75    83    90    65.00000  117.92700
   77    75    76    33.00000  107.80000
   83    75    76    35.00000  109.50000
   83    75    77    35.00000  109.50000
   83    87    88    35.00000  120.00000
   83    87    94    70.00000  124.00000
   83    90    91    35.00000  109.50000
   83    90    92    35.00000  109.50000
   83    90    93    35.00000  109.50000
   87    94    95    35.00000  109.50000
   87    94    96    85.00000  110.90400
   94    70    71    58.35000  112.70000
   94    87    88    35.00000  117.00000
   94    96    97    60.00000  109.50000
   96    94    95    35.00000  109.50000
   96    97    98    35.00000  109.50000
   96    97    99    50.00000  109.50000
   96    97    78    50.00000  109.50000
   97    99   100    37.50000  110.70000
   97    99   101    37.50000  110.70000
   97    99   102    58.35000  112.70000
   97    78    74    58.35000  112.70000
   97    78    84    60.00000  120.94000
   97    78    89    80.00000  116.47100
   99    97    98    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102    74    58.35000  112.70000
   99   102   104    50.00000  109.50000
  101    99   100    33.00000  107.80000
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102    74    78    70.00000  112.37300
  102    74    79    58.35000  112.70000
  102   104   105    83.00000  116.90000
   74    70    71    58.35000  112.70000
   74    70    94    58.35000  112.70000
   74   102   103    37.50000  110.70000
   74    78    84    60.00000  120.94000
   74    78    89    80.00000  116.47100
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   78    97    98    45.00000  109.38400
   78    97    99    70.00000  112.37300
   78    84    85    37.50000  117.20000
   78    84    86    37.50000  117.20000
   78    84    89    15.00000   60.43100
   78    89    84    15.00000   59.14900
   86    84    85    35.00000  114.30000
   89    78    84    15.00000   60.43100
   89    84    85    50.00000  114.27700
   89    84    86    50.00000  114.27700
   79    74    78    70.00000  112.37300
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
  104   102   103    35.00000  109.50000
  104   102    74    50.00000  109.50000
  104   105   106    83.00000  123.40000
  104   105    40    81.00000  111.40000
  105    40    41    35.00000  109.50000
  105    40    42    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40   105   106    80.00000  120.40000
   42    40    41    33.00000  107.80000
   90    83    87    70.00000  124.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   64    56    57    35.00000  109.50000
   64    56    62    90.00000  109.61100
   58    54    55    37.50000  110.70000
   58    54    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
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   74    78    84    85   0.15000  1.0 3.0
   74    78    84    86   0.15000  1.0 3.0
   74    78   -84    89   0.02550  1.0 1.0
   74    78   -84    89  -0.02600 -1.0 2.0
   74    78   -84    89   1.20400  1.0 3.0
   74    78   -89    84   0.06250  1.0 1.0
   74    78   -89    84  -0.01100 -1.0 2.0
   74    78   -89    84   0.28050  1.0 3.0
   78    97    99   100   0.15000  1.0 3.0
   78    97    99   101   0.15000  1.0 3.0
   78    97   -99   102   0.47050  1.0 1.0
   78    97   -99   102   0.03900 -1.0 2.0
   78    97   -99   102   0.20100  1.0 3.0
   78    74    79    80   0.15000  1.0 3.0
   78    74    79    81   0.15000  1.0 3.0
   78    74    79    82   0.15000  1.0 3.0
   85    84   -89    78   0.36800  1.0 3.0
   86    84   -89    78   0.36800  1.0 3.0
   89    78   -84    85   0.23400  1.0 3.0
   89    78   -84    86   0.23400  1.0 3.0
   79    74    78    97   0.56750  1.0 1.0
   79    74    78    97  -0.07550 -1.0 2.0
   79    74    78    97   0.20000  1.0 3.0
   79    74    78    84   0.07850  1.0 1.0
   79    74    78    84  -0.03950 -1.0 2.0
   79    74    78    84   0.67350  1.0 3.0
   79    74    78    89   0.02550  1.0 1.0
   79    74    78    89  -0.02600 -1.0 2.0
   79    74    78    89   1.20400  1.0 3.0
  104   102    74    70   0.62750  1.0 1.0
  104   102    74    70  -0.30950 -1.0 2.0
  104   102    74    70   0.27300  1.0 3.0
  104   102    74    78  -0.26800  1.0 1.0
  104   102    74    78   0.69150 -1.0 2.0
  104   102    74    78  -0.48750  1.0 3.0
  104   102    74    79   0.62750  1.0 1.0
  104   102    74    79  -0.30950 -1.0 2.0
  104   102    74    79   0.27300  1.0 3.0
  104   105    40    33   0.36750  1.0 3.0
  104   105    40    41   0.00000  1.0 1.0
  104   105    40    42   0.00000  1.0 1.0
  106   105    40    33   0.30150 -1.0 2.0
  106   105    40    41   0.00000  1.0 1.0
  106   105    40    42   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   90    83    87    88   7.00000 -1.0 2.0
   90    83    87    94   7.00000 -1.0 2.0
   64    56    62    63   0.30150 -1.0 2.0
   64    56    62    66   0.30750  1.0 1.0
   64    56    62    66   1.13850 -1.0 2.0
   64    56    62    66   0.38850  1.0 3.0
   58    54    56    57   0.15000  1.0 3.0
   58    54    56    62  -0.95700  1.0 1.0
   58    54    56    62  -0.18200 -1.0 2.0
   58    54    56    62   0.29450  1.0 3.0
   58    54    56    64   0.86500  1.0 1.0
   58    54    56    64  -0.17500 -1.0 2.0
   58    54    56    64   0.20800  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43   1.10000 -1.0 2.0
   45    44    43    38   1.10000 -1.0 2.0
   43    47    45    46  10.50000 -1.0 2.0
   56    66    62    63  10.50000 -1.0 2.0
   75    90    83    87   1.10000 -1.0 2.0
   94    88    87    83   1.10000 -1.0 2.0
  104    40   105   106  10.50000 -1.0 2.0
END
