* LIGAND DATABASE FILE (OPLS2005)
*
001     108   112    212    343     638
    1     0 S   NP   _N1_     1    28.71774    95.52055   -20.26964
    2     1 S   H    _HN1     2     1.02770    85.20623   -79.67958
    3     1 S   H    _H1_     3     1.02963    86.09154    29.16689
    4     1 S   H    _H2_     4     1.02830    38.30858   153.06351
    5     1 S   CT   _CA1     5     1.50164   149.01884   153.37015
    6     5 S   HC   _HA1     6     1.09568   105.18449    58.88355
    7     5 S   CO3  _C1_     7     1.53780   112.55596   -61.22855
    8     7 S   O2Z  _O11     8     1.26363   114.93943   -36.70866
    9     7 S   O2Z  _O12     9     1.26251   114.99051   142.38273
   10     5 S   CT   _CB1    10     1.53079   107.39982   176.92349
   11    10 S   HC   HB11    11     1.09822   109.31642   -49.12360
   12    10 S   HC   HB12    12     1.09827   110.37180    67.45850
   13    10 S   CT   _CG1    13     1.52989   112.75571  -170.22147
   14    13 S   HC   HG11    14     1.09546   110.40306   -65.18678
   15    13 S   HC   HG12    15     1.09650   110.01770    54.06011
   16    13 S   C    _CD1    16     1.51795   112.33883   174.36925
   17    16 S   O    _OE1    17     1.22721   123.26958    -1.88253
   18    16 S   N    _N2_    18     1.38640   111.63639   178.26449
   19    18 S   H    _HN2    19     1.01586   119.02779     0.95327
   20    18 S   CT1  _CA2    20     1.46269   123.35784  -179.40258
   21    20 S   HC   _HA2    21     1.09741   109.35228   -11.29510
   22    20 S   C    _C2_    22     1.53450   108.40541  -126.92378
   23    22 S   O    _O2_    23     1.23017   122.19072  -146.55359
   24    20 S   CT   _CB2    32     1.53640   111.50571   110.76238
   25    24 S   HC   HB21    33     1.09385   109.00540    55.68508
   26    24 S   HC   HB22    34     1.09384   109.92230   174.64463
   27    22 S   N    _N3_    24     1.38489   113.39526    40.82322
   28    27 S   H    _HN3    25     1.01530   118.90038    -0.87223
   29    24 S   S    _SG2    35     1.82860   111.05454   -65.13356
   30    27 S   CT   _CA3    26     1.45468   123.61501   175.14946
   31    30 S   HC   HA31    27     1.09512   109.43873    20.06855
   32    30 S   HC   HA32    28     1.09503   107.06626   137.10874
   33    29 S   CT   _C11    36     1.86511   102.96579   179.86012
   34    30 S   CO3  _C3_    29     1.52921   112.99538  -103.54833
   35    34 S   O2Z  _O31    30     1.26411   115.36591   -44.95024
   36    34 S   O2Z  _O32    31     1.26348   115.00660   135.94731
   37    33 S   CT   _C12    37     1.54161   107.78750    60.09787
   38    37 S   HC   _H19    38     1.09479   113.75790    33.25289
   39    37 S   HC   _H20    39     1.09730   111.57560   -86.16731
   40    33 S   CT   _C30   105     1.54979   109.33741   -56.35116
   41    40 S   HC   _H35   106     1.09025   112.90423   -55.90190
   42    40 S   HC   _H36   107     1.09692   110.69167  -175.92393
   43    40 S   HC   _H37   108     1.09463   112.60162    66.00703
   44    37 S   CO4  _C13    40     1.50079   110.62915   153.53936
   45    44 S   O    _O35    41     1.23138   121.43044   123.39439
   46    44 S   CT   _C14    42     1.51472   117.13537   -60.99114
   47    46 S   HC   _H5_    43     1.09631   105.93845   150.11309
   48    46 S   CT   _C15    44     1.57722   114.33068    28.45996
   49    46 S   OH   _O43   103     1.41992   105.01205   -95.68595
   50    49 S   HO   _H34   104     0.97301   107.65389   -66.48979
   51    33 S   CT   _C10    45     1.59695   111.48120  -176.04319
   52    51 S   HC   _H4_    46     1.10121   103.84054   152.05602
   53    48 S   CT   _C29    99     1.55342   109.70975   -91.86707
   54    53 S   HC   _H31   100     1.08936   113.19340   170.76682
   55    53 S   HC   _H32   101     1.09123   112.28965    50.95357
   56    53 S   HC   _H33   102     1.09180   113.04388   -67.50380
   57    51 S   CT   _C9_    47     1.56505   116.19444    36.51753
   58    57 S   HC   _H3_    48     1.09313   109.56958   -75.06969
   59    57 S   CT   _C18    49     1.53995   110.30261   163.61742
   60    59 S   HC   _H7_    50     1.09702   109.49678  -178.95432
   61    57 S   OS   _O34    85     1.45027   111.36851    44.13429
   62    59 S   CT   _C17    51     1.52360   113.45743    57.87756
   63    61 S   CO4  _C8_    86     1.36337   116.70436  -158.86920
   64    63 S   O    _O33    87     1.22271   126.40606     2.52274
   65    62 S   CT   _C25    52     1.53756   113.74413    69.17193
   66    65 S   HC   _H21    53     1.09060   114.17511   -34.04565
   67    65 S   HC   _H22    54     1.09519   113.20041    87.32835
   68    62 S   CT   _C21    63     1.58026   107.92311  -170.60970
   69    68 S   HC   _H9_    64     1.10229   107.12517   -60.85828
   70    63 S   CM   _C6_    88     1.48652   109.51959  -175.63417
   71    65 S   OS   _O38    55     1.44312   106.25385  -153.06866
   72    68 S   CT   _C20    65     1.53776   110.95908    53.99737
   73    72 S   HC   _H8_    66     1.09326   111.06380    71.38989
   74    70 S   CM   _C5_    89     1.34513   115.53653   139.42841
   75    74 S   HC   _H15    90     1.08932   119.32293    -0.45800
   76    70 S   CT   _C7_    95     1.49515   118.35846   -42.44507
   77    76 S   HC   _H16    96     1.09365   112.32651  -151.97491
   78    76 S   HC   _H17    97     1.09481   110.77032   -33.46857
   79    76 S   HC   _H18    98     1.09405   110.41236    86.86987
   80    71 S   CO   _C24    56     1.44650   108.21432     2.18946
   81    72 S   CO4  _C19    67     1.51496   112.73753   -49.57769
   82    81 S   O    _O37    68     1.22733   123.56769  -144.62218
   83    72 S   OS   _O41    70     1.44361   109.79908  -166.29349
   84    74 S   CT   _C4_    91     1.49548   126.83473  -179.16984
   85    84 S   HC   _H12    92     1.09383   109.94949  -117.65176
   86    84 S   HC   _H13    93     1.09479   109.44578   123.88049
   87    84 S   HC   _H14    94     1.09221   113.50742     3.82111
   88    48 S   CT   _C16    57     1.61559   106.79968   145.15547
   89    88 S   HC   _H6_    58     1.09387   105.04822   -38.84984
   90    80 S   CT   _C23    59     1.54824   107.46174   -92.17541
   91    90 S   HC   _H11    60     1.09803   108.27857   -63.93530
   92    59 S   OS   _O36    69     1.45128   105.33616   -65.76406
   93    83 S   CO4  _C27    71     1.36499   117.61340  -148.67173
   94    93 S   O    _O42    72     1.22305   126.37337     1.15012
   95    80 S   OH   _O39    83     1.41582   111.74158   148.69762
   96    95 S   HO   _H23    84     0.97108   108.60996    85.04984
   97    90 S   CT   _C22    61     1.54138   112.61802    54.50073
   98    97 S   HC   _H10    62     1.10019   105.48273   -75.06442
   99    93 S   CT   _C28    73     1.49825   109.46792  -179.11574
  100    99 S   HC   _H28    74     1.09284   109.82631   -61.91873
  101    99 S   HC   _H29    75     1.09376   109.35559   178.97607
  102    99 S   HC   _H30    76     1.09291   109.82700    59.99449
  103    90 S   OH   _O40    81     1.42587   110.82001  -178.85192
  104   103 S   HO   _H24    82     0.96916   109.39633   -71.53561
  105    97 S   CT   _C26    77     1.52877   111.59804   172.47293
  106   105 S   HC   _H25    78     1.09318   112.40848   -62.08915
  107   105 S   HC   _H26    79     1.09463   110.92734   175.54306
  108   105 S   HC   _H27    80     1.09605   110.15421    57.15526
  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  13   5   4   3
  19   2   1   1  15   6   5   8   3   2   1   9   4  15   6  21
   4   1  16   6   8   3   2   1  13   6  18   7   7  19   9   3
  13   5   4  21   9  10   9  13   6   9   5   4   2   1   1  11
   5   2   8   3   2   1   1   8   2  11   6   1   5   4   3   1
   7   5   3   2   1   1   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    48    51    52    57    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    48    51    52    57    58    59    88    61    53    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    51    52    57    49    40    41    42    43  
   39    44    45    46    51    40  
   44    45    46    51    40  
   41    42    43    44    48    51    52    57  
   42    43    51  
   43    51  
   51  
   45    46    47    48    51    88    53    49    50  
   46    47    48    49  
   47    48    51    52    57    62    80    88    89    53    54    55    56    49    50  
   48    51    88    53    49    50  
   51    52    57    58    59    62    65    71    80    88    89    90    68    95    61    53    54    55    56    49    50  
   50    51    53    88  
    0  
   52    57    58    59    60    62    80    88    89    92    61    63    53    54    55    56  
   57    58    59    88    61    53  
   54    55    56    57    62    80    88    89  
   55    56    88  
   56    88  
   88  
   58    59    60    62    65    88    68    81    92    61    63    64    70  
   59    60    62    92    61    63  
   60    62    65    66    67    71    80    88    89    97    68    69    72    81    82    92    61    63  
   62    65    88    68    81    92    61  
   63    64    70    74    76    62    92  
   65    66    67    71    80    88    89    90    97    98    68    69    72    73    81    92    83   105    95  
   64    70    74    75    84    76    77    78    79  
   70    74    76  
   66    67    71    80    88    89    90    97    68    69    72    92    95  
   67    71    80    88    68  
   71    80    88    68  
   69    72    73    81    82    92    83    93   105   106   107   108   103    71    80    88    89    90    91    97    98  
   72    73    81    83   105    88    90    97    98  
   74    75    84    85    86    87    76    77    78    79  
   80    88    89    90    91    97   103    95    96  
   73    81    82    92    83    93    94    99   105    88    90    97    98  
   81    82    92    83    93    97  
   75    84    85    86    87    76    77    78    79  
   84    85    86    87    76  
   77    78    79    84  
   78    79  
   79  
    0  
   88    89    90    91    97    98   105   103   104    95    96  
   82    92    83    93    97  
   92    83  
   93    94    99   100   101   102    92    97  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91    97    92   103    95    96  
   90    95  
   91    97    98   105   106   107   108   103   104    95    96  
   97    98   105   103   104    95  
    0  
   94    99   100   101   102  
   99   100   101   102  
   96    97   103  
    0  
   98   105   106   107   108   103   104  
  105   106   107   108   103  
  100   101   102  
  101   102  
  102  
    0  
  104   105  
    0  
  106   107   108  
  107   108  
  108  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  104   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
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   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    49   320.000  1.410
   48    51   268.000  1.529
   48    88   268.000  1.529
   48    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   320.000  1.410
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    92   320.000  1.410
   62    65   268.000  1.529
   62    88   268.000  1.529
   62    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   320.000  1.410
   71    80   320.000  1.380
   80    88   250.000  1.527
   80    90   250.000  1.527
   80    95   380.000  1.407
   88    89   340.000  1.090
   90    91   340.000  1.090
   90    97   268.000  1.529
   90   103   320.000  1.410
   97    98   340.000  1.090
   97    68   268.000  1.529
   97   105   268.000  1.529
   68    69   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    81   317.000  1.522
   72    83   320.000  1.410
   81    82   570.000  1.229
   81    92   214.000  1.327
   83    93   214.000  1.327
   93    94   570.000  1.229
   93    99   317.000  1.522
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  103   104   553.000  0.945
   95    96   553.000  0.945
   61    63   214.000  1.327
   63    64   570.000  1.229
   63    70   320.000  1.462
   70    74   549.000  1.340
   70    76   317.000  1.510
   74    75   340.000  1.080
   74    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   49    50   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    46    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    63.00000  111.10000
   44    46    49    90.00000  109.61100
   46    44    45    80.00000  120.40000
   46    48    51    58.35000  112.70000
   46    48    88    58.35000  112.70000
   46    48    53    58.35000  112.70000
   46    49    50    55.00000  108.50000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    57    58.35000  112.70000
   48    88    62    58.35000  112.70000
   48    88    80    75.00000  109.43000
   48    88    89    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   51    33    37    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    58.35000  112.70000
   51    57    61    50.00000  109.50000
   57    51    52    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    62    58.35000  112.70000
   57    59    92    50.00000  109.50000
   57    61    63    83.00000  116.90000
   59    57    58    37.50000  110.70000
   59    62    65    58.35000  112.70000
   59    62    88    58.35000  112.70000
   59    62    68    58.35000  112.70000
   59    92    81    83.00000  116.90000
   62    59    60    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    71    50.00000  109.50000
   62    88    80    75.00000  109.43000
   62    88    89    37.50000  110.70000
   62    68    97    58.35000  112.70000
   62    68    69    37.50000  110.70000
   62    68    72    58.35000  112.70000
   65    71    80    60.00000  109.50000
   67    65    66    33.00000  107.80000
   71    65    66    35.00000  109.50000
   71    65    67    35.00000  109.50000
   71    80    88    90.00000  108.56700
   71    80    90    90.00000  108.56700
   71    80    95   110.00000  112.08000
   80    88    89    45.00000  108.72000
   80    90    91    45.00000  108.72000
   80    90    97    75.00000  109.43000
   80    90   103    90.00000  111.58700
   80    95    96    70.00000  107.92000
   88    48    51    58.35000  112.70000
   88    62    65    58.35000  112.70000
   90    80    88    65.00000  112.71400
   90    97    98    37.50000  110.70000
   90    97    68    58.35000  112.70000
   90    97   105    58.35000  112.70000
   90   103   104    55.00000  108.50000
   97    90    91    37.50000  110.70000
   97    68    69    37.50000  110.70000
   97    68    72    58.35000  112.70000
   97   105   106    37.50000  110.70000
   97   105   107    37.50000  110.70000
   97   105   108    37.50000  110.70000
   68    62    65    58.35000  112.70000
   68    62    88    58.35000  112.70000
   68    97    98    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    81    63.00000  111.10000
   68    72    83    50.00000  109.50000
   72    68    69    37.50000  110.70000
   72    81    82    80.00000  120.40000
   72    81    92    81.00000  111.40000
   72    83    93    83.00000  116.90000
   81    72    73    35.00000  109.50000
   92    59    60    35.00000  109.50000
   92    59    62    50.00000  109.50000
   92    81    82    83.00000  123.40000
   83    72    73    35.00000  109.50000
   83    72    81    90.00000  108.74100
   83    93    94    83.00000  123.40000
   83    93    99    81.00000  111.40000
   93    99   100    35.00000  109.50000
   93    99   101    35.00000  109.50000
   93    99   102    35.00000  109.50000
   99    93    94    80.00000  120.40000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
  105    97    98    37.50000  110.70000
  105    97    68    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  103    90    91    35.00000  109.50000
  103    90    97    50.00000  109.50000
   95    80    88    90.00000  110.19100
   95    80    90    90.00000  110.19100
   61    57    58    35.00000  109.50000
   61    57    59    50.00000  109.50000
   61    63    64    83.00000  123.40000
   61    63    70    90.00000  111.29400
   63    70    74    65.00000  118.96000
   63    70    76    65.00000  116.34900
   70    63    64    80.00000  123.72100
   70    74    75    35.00000  120.00000
   70    74    84    70.00000  124.00000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    35.00000  109.50000
   74    84    85    35.00000  109.50000
   74    84    86    35.00000  109.50000
   74    84    87    35.00000  109.50000
   84    74    75    35.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   76    70    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   53    48    51    58.35000  112.70000
   53    48    88    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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
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   68    72    83    93  -0.25900  1.0 1.0
   68    72    83    93  -0.47000 -1.0 2.0
   68    72    83    93   0.11750  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    81  -0.11250  1.0 3.0
   69    68    72    83   0.23400  1.0 3.0
   72    81   -92    59   1.63150  1.0 1.0
   72    81   -92    59   2.92000 -1.0 2.0
   72    83    93    94   3.00000 -1.0 2.0
   72    83    93    99   1.63150  1.0 1.0
   72    83    93    99   2.92000 -1.0 2.0
   73    72    81    82   0.00000  1.0 1.0
   73    72    81    92   0.00000  1.0 1.0
   73    72    83    93   0.08050  1.0 3.0
   81    72    83    93  -1.80650  1.0 1.0
   81    72    83    93   0.63900 -1.0 2.0
   81    72    83    93   0.03650  1.0 3.0
   82    81    92    59   3.00000 -1.0 2.0
   92    59    62    65   0.62750  1.0 1.0
   92    59    62    65  -0.30950 -1.0 2.0
   92    59    62    65   0.27300  1.0 3.0
   92    59    62    88   0.62750  1.0 1.0
   92    59    62    88  -0.30950 -1.0 2.0
   92    59    62    88   0.27300  1.0 3.0
   92    59   -62    68   0.62750  1.0 1.0
   92    59   -62    68  -0.30950 -1.0 2.0
   92    59   -62    68   0.27300  1.0 3.0
   83    72    81    82   0.30150 -1.0 2.0
   83    72    81    92   0.40000  1.0 3.0
   83    93    99   100   0.00000  1.0 1.0
   83    93    99   101   0.00000  1.0 1.0
   83    93    99   102   0.00000  1.0 1.0
   94    93    99   100   0.00000  1.0 1.0
   94    93    99   101   0.00000  1.0 1.0
   94    93    99   102   0.00000  1.0 1.0
  105    97    68    62   0.56750  1.0 1.0
  105    97    68    62  -0.07550 -1.0 2.0
  105    97    68    62   0.20000  1.0 3.0
  105    97    68    69   0.15000  1.0 3.0
  105    97    68    72   0.56750  1.0 1.0
  105    97    68    72  -0.07550 -1.0 2.0
  105    97    68    72   0.20000  1.0 3.0
  103    90    97    98   0.23400  1.0 3.0
  103    90    97    68   0.86500  1.0 1.0
  103    90    97    68  -0.17500 -1.0 2.0
  103    90    97    68   0.20800  1.0 3.0
  103    90    97   105   0.86500  1.0 1.0
  103    90    97   105  -0.17500 -1.0 2.0
  103    90    97   105   0.20800  1.0 3.0
   95    80    88    48   0.86500  1.0 1.0
   95    80    88    48  -0.17500 -1.0 2.0
   95    80    88    48   0.20800  1.0 3.0
   95    80    88    62   0.86500  1.0 1.0
   95    80    88    62  -0.17500 -1.0 2.0
   95    80    88    62   0.20800  1.0 3.0
   95    80    88    89   0.23400  1.0 3.0
   95    80    90    91   0.23400  1.0 3.0
   95    80    90    97   0.86500  1.0 1.0
   95    80    90    97  -0.17500 -1.0 2.0
   95    80    90    97   0.20800  1.0 3.0
   95    80    90   103   3.75450  1.0 1.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    62   0.62750  1.0 1.0
   61    57    59    62  -0.30950 -1.0 2.0
   61    57    59    62   0.27300  1.0 3.0
   61    57    59    92   1.11900  1.0 1.0
   61    57    59    92  -1.16350 -1.0 2.0
   61    57    59    92  -0.34150  1.0 3.0
   61    63    70    74  -0.56150  1.0 1.0
   61    63    70    74   2.19150 -1.0 2.0
   61    63    70    76  -0.15000  1.0 1.0
   61    63    70    76   0.89550 -1.0 2.0
   61    63    70    76  -0.06900  1.0 3.0
   63    70    74    75   7.00000 -1.0 2.0
   63    70    74    84   7.00000 -1.0 2.0
   63    70    76    77   0.15000  1.0 3.0
   63    70    76    78   0.15000  1.0 3.0
   63    70    76    79   0.15000  1.0 3.0
   64    63    70    74   1.00000 -1.0 2.0
   64    63    70    76  -0.64400  1.0 1.0
   64    63    70    76   0.26850 -1.0 2.0
   70    74    84    85   0.00000  1.0 1.0
   70    74    84    86   0.00000  1.0 1.0
   70    74    84    87   0.00000  1.0 1.0
   74    70    76    77   0.00000  1.0 1.0
   74    70    76    78   0.00000  1.0 1.0
   74    70    76    79   0.00000  1.0 1.0
   75    74    84    85   0.33100  1.0 3.0
   75    74    84    86   0.33100  1.0 3.0
   75    74    84    87   0.33100  1.0 3.0
   76    70    74    75   7.00000 -1.0 2.0
   76    70    74    84   7.00000 -1.0 2.0
   53    48    51    33   0.56750  1.0 1.0
   53    48    51    33  -0.07550 -1.0 2.0
   53    48    51    33   0.20000  1.0 3.0
   53    48    51    52   0.15000  1.0 3.0
   53    48    51    57   0.56750  1.0 1.0
   53    48    51    57  -0.07550 -1.0 2.0
   53    48    51    57   0.20000  1.0 3.0
   53    48    88    62   0.56750  1.0 1.0
   53    48    88    62  -0.07550 -1.0 2.0
   53    48    88    62   0.20000  1.0 3.0
   53    48    88    80   3.97050  1.0 1.0
   53    48    88    89   0.15000  1.0 3.0
   49    46    48    51   0.86500  1.0 1.0
   49    46    48    51  -0.17500 -1.0 2.0
   49    46    48    51   0.20800  1.0 3.0
   49    46    48    88   0.86500  1.0 1.0
   49    46    48    88  -0.17500 -1.0 2.0
   49    46    48    88   0.20800  1.0 3.0
   49    46    48    53   0.86500  1.0 1.0
   49    46    48    53  -0.17500 -1.0 2.0
   49    46    48    53   0.20800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33    51    52   0.15000  1.0 3.0
   40    33    51    57   0.56750  1.0 1.0
   40    33    51    57  -0.07550 -1.0 2.0
   40    33    51    57   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
   35    30    34    36  10.50000 -1.0 2.0
   37    46    44    45  10.50000 -1.0 2.0
   72    92    81    82  10.50000 -1.0 2.0
   83    99    93    94  10.50000 -1.0 2.0
   61    70    63    64  10.50000 -1.0 2.0
   63    76    70    74  15.00000 -1.0 2.0
   84    75    74    70  15.00000 -1.0 2.0
END
