* LIGAND DATABASE FILE (OPLS2005)
*
001     104   108    206    341     628
    1     0 S   NP   _N1_     1    29.43430    92.95989   -25.95424
    2     1 S   H    _HN1     2     1.02949    93.85584     9.23697
    3     1 S   H    _H1_     3     1.02828    13.66210  -156.48713
    4     1 S   H    _H2_     4     1.02786   116.55258  -103.50525
    5     1 S   CT   _CA1     5     1.50107   113.77703   123.54266
    6     5 S   HC   _HA1     6     1.09572   105.20607    73.65894
    7     5 S   CO3  _C1_     7     1.53794   112.45829   -46.60612
    8     7 S   O2Z  _O11     8     1.26373   115.01139   -42.84944
    9     7 S   O2Z  _O12     9     1.26239   114.95033   136.31410
   10     5 S   CT   _CB1    10     1.53080   107.42417  -168.34132
   11    10 S   HC   HB11    11     1.09832   109.40308   -49.64436
   12    10 S   HC   HB12    12     1.09813   110.43767    66.97312
   13    10 S   CT   _CG1    13     1.52985   112.58921  -170.61523
   14    13 S   HC   HG11    14     1.09583   110.62498   -65.07550
   15    13 S   HC   HG12    15     1.09668   109.79720    54.15669
   16    13 S   C    _CD1    16     1.51793   112.23753   174.63622
   17    16 S   O    _OE1    17     1.22726   123.28321     6.30571
   18    16 S   N    _N2_    18     1.38645   111.65113  -173.77030
   19    18 S   H    _HN2    19     1.01571   118.94276     2.04220
   20    18 S   CT1  _CA2    20     1.46252   123.44548   178.09484
   21    20 S   HC   _HA2    21     1.09739   109.37383     3.88131
   22    20 S   C    _C2_    22     1.53584   108.50952  -111.62195
   23    22 S   O    _O2_    23     1.23055   122.33884  -147.03319
   24    20 S   CT   _CB2    32     1.53550   111.58068   125.89571
   25    24 S   HC   HB21    33     1.09481   109.33804    56.35775
   26    24 S   HC   HB22    34     1.09321   109.60648   175.31529
   27    22 S   N    _N3_    24     1.38349   113.70041    40.34194
   28    27 S   H    _HN3    25     1.01576   119.59168    -3.11540
   29    24 S   S    _SG2    35     1.83019   110.95680   -64.09903
   30    27 S   CT   _CA3    26     1.45286   123.21470   177.21421
   31    30 S   HC   HA31    27     1.09548   107.49299   -65.07168
   32    30 S   HC   HA32    28     1.09557   108.00712    51.37159
   33    29 S   CT   _C18    36     1.86995   103.20582  -173.88166
   34    30 S   CO3  _C3_    29     1.52962   114.07988   173.38432
   35    34 S   O2Z  _O31    30     1.26375   116.07060    -0.65909
   36    34 S   O2Z  _O32    31     1.26428   114.41182   179.40554
   37    33 S   CM   _C4_    37     1.51135   108.46747    68.91458
   38    37 S   HC   _H37    38     1.09071   116.03279   -65.22413
   39    33 S   CT   _C23   101     1.54772   108.91095   -48.13098
   40    39 S   HC   _H53   102     1.09505   112.39623   -52.63823
   41    39 S   HC   _H54   103     1.09735   110.96033  -172.67721
   42    39 S   HC   _H55   104     1.09611   112.57421    69.16630
   43    37 S   CMA  _C5_    39     1.34855   127.23409   118.72496
   44    43 S   OM   _O26    40     1.26452   128.21780   175.07379
   45    43 S   CT   _C10    41     1.54382   119.40047    -3.43860
   46    45 S   HC   _H42    42     1.10012   106.28659   100.29067
   47    45 S   CT   _C20    43     1.58552   116.04240   -20.21093
   48    45 S   OH   _O33    99     1.43147   110.38291  -145.32111
   49    48 S   HO   _H67   100     0.97382   106.44192   -29.85012
   50    33 S   CT   _C12    44     1.57614   112.00599  -168.11580
   51    50 S   HC   _H44    45     1.10240   104.36905   162.41273
   52    47 S   CT   _C24    95     1.54986   108.62069   -72.52368
   53    52 S   HC   _H56    96     1.09063   112.71801   167.24114
   54    52 S   HC   _H57    97     1.09378   111.90920    46.59801
   55    52 S   HC   _H58    98     1.09105   113.10481   -71.08207
   56    50 S   CT   _C8_    46     1.54283   113.77312    47.67198
   57    56 S   HC   _H38    47     1.09308   111.69613   -73.43547
   58    56 S   HC   _H39    48     1.09600   109.67578    44.38319
   59    56 S   CT   _C16    49     1.52579   110.71497   163.28636
   60    59 S   HC   _H48    50     1.09764   108.19575   178.71458
   61    59 S   CT   _C19    51     1.52389   113.07754    56.56571
   62    61 S   CT   _C9_    52     1.53932   112.23335    70.65859
   63    62 S   HC   _H40    53     1.09113   113.97927   -36.19364
   64    62 S   HC   _H41    54     1.09522   113.11702    85.26936
   65    61 S   CT   _C13    63     1.57567   107.54908  -169.66456
   66    65 S   HC   _H45    64     1.10231   107.31281   -58.70505
   67    62 S   OS   _O30    55     1.43834   106.51507  -154.84942
   68    65 S   CT   _C11    65     1.53745   110.45442    56.08585
   69    68 S   HC   _H43    66     1.09328   111.00906    70.29073
   70    67 S   CO   _C21    56     1.44524   108.18942     3.20100
   71    68 S   CO4  _C6_    67     1.51600   112.91941   -50.86149
   72    71 S   O    _O27    68     1.22806   123.11132  -147.66407
   73    68 S   OS   _O37    70     1.44391   109.60115  -167.70195
   74    47 S   CT   _C14    57     1.61499   109.06169   164.00165
   75    74 S   HC   _H46    58     1.09338   104.43950   -34.43384
   76    70 S   CT   _C17    59     1.55103   107.11034   -92.58616
   77    76 S   HC   _H49    60     1.09821   108.24649   -63.70460
   78    59 S   OS   _O29    69     1.44739   105.23820   -68.32248
   79    73 S   CO4  _C7_    71     1.36484   117.84742  -148.39873
   80    79 S   O    _O28    72     1.22387   126.16295    -0.23573
   81    70 S   OH   _O35    93     1.41359   110.78812   149.42818
   82    81 S   HO   _H69    94     0.97046   109.04575    87.73965
   83    76 S   CT   _C15    61     1.54070   112.74760    54.53901
   84    83 S   HC   _H47    62     1.10033   105.44308   -74.97503
   85    79 S   CT   _C27    73     1.51106   110.07365   179.48986
   86    85 S   HC   _H65    74     1.09770   107.48929   -40.79618
   87    85 S   HC   _H66    75     1.09718   107.42640  -154.72677
   88    76 S   OH   _O34    91     1.42575   111.10300  -178.65739
   89    88 S   HO   _H68    92     0.96929   109.40821   -67.27997
   90    85 S   CT   _C28    76     1.53519   113.60654    82.37369
   91    83 S   CT   _C22    87     1.52869   111.64965   172.62733
   92    91 S   HC   _H50    88     1.09314   112.41807   -61.82803
   93    91 S   HC   _H51    89     1.09464   110.92790   175.76219
   94    91 S   HC   _H52    90     1.09606   110.14607    57.38400
   95    90 S   CT   _C25    77     1.52938   112.42766    56.79535
   96    95 S   HC   _H59    78     1.09500   111.48429   -64.42643
   97    95 S   HC   _H60    79     1.09633   110.71796   177.99143
   98    95 S   HC   _H61    80     1.09482   111.58283    57.23780
   99    90 S   CT   _C26    81     1.53253   109.64076   178.97626
  100    99 S   HC   _H62    82     1.09611   110.90084    58.56942
  101    99 S   HC   _H63    83     1.09609   110.88400   176.44664
  102    99 S   HC   _H64    84     1.09493   111.63129   -62.43317
  103    90 S   OH   _O36    85     1.42862   109.73334   -63.13696
  104   103 S   HO   _H70    86     0.97244   108.15267   -57.00331
  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  12   5   4   3
  18   2   1   1  14   5   8   3   2   1   9   4  15   6  21   4
   1  15   6   8   3   2   1  10   5   4  16   6  19  13   5   4
  21   9   9  13   6  11   5   2   8   8   2  11   6   1   8   4
   3   1   7   5  13   5   4   2   1  10   3   2   1   1   9   4
   3   2   5   3   2   1   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    50    51    56    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    50    51    56    57    58    59    74    52    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    50    51    56    48    39    40    41    42  
   43    44    45    50    39  
   40    41    42    43    47    50    51    56  
   41    42    50  
   42    50  
   50  
   44    45    46    47    50    74    52    48    49  
   45    46    47    48  
   46    47    50    51    56    61    70    74    75    52    53    54    55    48    49  
   47    50    74    52    48    49  
   50    51    56    57    58    59    61    62    67    70    74    75    76    65    81    52    53    54    55    48    49  
   49    50    52    74  
    0  
   51    56    57    58    59    60    61    70    74    75    78    52    53    54    55  
   56    57    58    59    74    52  
   53    54    55    56    61    70    74    75  
   54    55    74  
   55    74  
   74  
   57    58    59    60    61    62    74    65    71    78  
   58    59    60    61    78  
   59    60    61    78  
   60    61    62    63    64    67    70    74    75    83    65    66    68    71    72    78  
   61    62    74    65    71    78  
   62    63    64    67    70    74    75    76    83    84    65    66    68    69    71    78    73    91    81  
   63    64    67    70    74    75    76    83    65    66    68    78    81  
   64    67    70    74    65  
   67    70    74    65  
   66    68    69    71    72    78    73    79    91    92    93    94    88    67    70    74    75    76    77    83    84  
   68    69    71    73    91    74    76    83    84  
   70    74    75    76    77    83    88    81    82  
   69    71    72    78    73    79    80    85    91    74    76    83    84  
   71    72    78    73    79    83  
   74    75    76    77    83    84    91    88    89    81    82  
   72    78    73    79    83  
   78    73  
   79    80    85    86    87    90    78    83  
   75    76    77    83    78    88    81    82  
   76    81  
   77    83    84    91    92    93    94    88    89    81    82  
   83    84    91    88    89    81  
    0  
   80    85    86    87    90    95    99   103  
   85    86    87    90  
   82    83    88  
    0  
   84    91    92    93    94    88    89  
   91    92    93    94    88  
   86    87    90    95    96    97    98    99   100   101   102   103   104  
   87    90    95    99   103  
   90    95    99   103  
   89    91  
    0  
   95    96    97    98    99   100   101   102   103   104  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98    99   100   101   102   103   104  
   97    98    99   103  
   98    99   103  
   99   103  
  100   101   102   103   104  
  101   102   103  
  102   103  
  103  
  104  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   2.5000   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   2.5000   0.0300   0.060000   1.4250   1.2500   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   270.000  1.512
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   320.000  1.410
   47    50   268.000  1.529
   47    74   268.000  1.529
   47    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    78   320.000  1.410
   61    62   268.000  1.529
   61    74   268.000  1.529
   61    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   320.000  1.410
   67    70   320.000  1.380
   70    74   250.000  1.527
   70    76   250.000  1.527
   70    81   380.000  1.407
   74    75   340.000  1.090
   76    77   340.000  1.090
   76    83   268.000  1.529
   76    88   320.000  1.410
   83    84   340.000  1.090
   83    65   268.000  1.529
   83    91   268.000  1.529
   65    66   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    71   317.000  1.522
   68    73   320.000  1.410
   71    72   570.000  1.229
   71    78   214.000  1.327
   73    79   214.000  1.327
   79    80   570.000  1.229
   79    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    90   268.000  1.529
   90    95   268.000  1.529
   90    99   268.000  1.529
   90   103   320.000  1.410
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
  103   104   553.000  0.945
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   88    89   553.000  0.945
   81    82   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    56    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    45    46    45.00000  110.52000
   43    45    47    70.00000  112.02700
   43    45    48    90.00000  110.39200
   45    43    44    85.00000  112.85300
   45    47    50    58.35000  112.70000
   45    47    74    58.35000  112.70000
   45    47    52    58.35000  112.70000
   45    48    49    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    56    58.35000  112.70000
   47    74    61    58.35000  112.70000
   47    74    70    75.00000  109.43000
   47    74    75    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   50    33    37    70.00000  112.02700
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    58.35000  112.70000
   56    50    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    78    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    58.35000  112.70000
   59    61    74    58.35000  112.70000
   59    61    65    58.35000  112.70000
   59    78    71    83.00000  116.90000
   61    59    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    67    50.00000  109.50000
   61    74    70    75.00000  109.43000
   61    74    75    37.50000  110.70000
   61    65    83    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    68    58.35000  112.70000
   62    67    70    60.00000  109.50000
   64    62    63    33.00000  107.80000
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   67    70    74    90.00000  108.56700
   67    70    76    90.00000  108.56700
   67    70    81   110.00000  112.08000
   70    74    75    45.00000  108.72000
   70    76    77    45.00000  108.72000
   70    76    83    75.00000  109.43000
   70    76    88    90.00000  111.58700
   70    81    82    70.00000  107.92000
   74    47    50    58.35000  112.70000
   74    61    62    58.35000  112.70000
   76    70    74    65.00000  112.71400
   76    83    84    37.50000  110.70000
   76    83    65    58.35000  112.70000
   76    83    91    58.35000  112.70000
   76    88    89    55.00000  108.50000
   83    76    77    37.50000  110.70000
   83    65    66    37.50000  110.70000
   83    65    68    58.35000  112.70000
   83    91    92    37.50000  110.70000
   83    91    93    37.50000  110.70000
   83    91    94    37.50000  110.70000
   65    61    62    58.35000  112.70000
   65    61    74    58.35000  112.70000
   65    83    84    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    71    63.00000  111.10000
   65    68    73    50.00000  109.50000
   68    65    66    37.50000  110.70000
   68    71    72    80.00000  120.40000
   68    71    78    81.00000  111.40000
   68    73    79    83.00000  116.90000
   71    68    69    35.00000  109.50000
   78    59    60    35.00000  109.50000
   78    59    61    50.00000  109.50000
   78    71    72    83.00000  123.40000
   73    68    69    35.00000  109.50000
   73    68    71    90.00000  108.74100
   73    79    80    83.00000  123.40000
   73    79    85    81.00000  111.40000
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    90    63.00000  111.10000
   85    79    80    80.00000  120.40000
   85    90    95    58.35000  112.70000
   85    90    99    58.35000  112.70000
   85    90   103    50.00000  109.50000
   87    85    86    33.00000  107.80000
   90    85    86    37.50000  110.70000
   90    85    87    37.50000  110.70000
   90    95    96    37.50000  110.70000
   90    95    97    37.50000  110.70000
   90    95    98    37.50000  110.70000
   90    99   100    37.50000  110.70000
   90    99   101    37.50000  110.70000
   90    99   102    37.50000  110.70000
   90   103   104    55.00000  108.50000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   99    90    95    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
  103    90    95    50.00000  109.50000
  103    90    99    50.00000  109.50000
   91    83    84    37.50000  110.70000
   91    83    65    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   88    76    77    35.00000  109.50000
   88    76    83    50.00000  109.50000
   81    70    74    90.00000  110.19100
   81    70    76    90.00000  110.19100
   52    47    50    58.35000  112.70000
   52    47    74    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    50.00000  109.50000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
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   79    85    90    95  -0.95700  1.0 1.0
   79    85    90    95  -0.18200 -1.0 2.0
   79    85    90    95   0.29450  1.0 3.0
   79    85    90    99  -0.95700  1.0 1.0
   79    85    90    99  -0.18200 -1.0 2.0
   79    85    90    99   0.29450  1.0 3.0
   79    85    90   103  -0.09450  1.0 1.0
   79    85    90   103  -1.12950 -1.0 2.0
   79    85    90   103   0.54000  1.0 3.0
   80    79    85    86   0.00000  1.0 1.0
   80    79    85    87   0.00000  1.0 1.0
   80    79    85    90   0.30150 -1.0 2.0
   85    90    95    96   0.15000  1.0 3.0
   85    90    95    97   0.15000  1.0 3.0
   85    90    95    98   0.15000  1.0 3.0
   85    90    99   100   0.15000  1.0 3.0
   85    90    99   101   0.15000  1.0 3.0
   85    90    99   102   0.15000  1.0 3.0
   85    90   103   104  -0.11600  1.0 1.0
   85    90   103   104  -0.09450 -1.0 2.0
   85    90   103   104   0.21250  1.0 3.0
   86    85    90    95   0.15000  1.0 3.0
   86    85    90    99   0.15000  1.0 3.0
   86    85    90   103   0.23400  1.0 3.0
   87    85    90    95   0.15000  1.0 3.0
   87    85    90    99   0.15000  1.0 3.0
   87    85    90   103   0.23400  1.0 3.0
   95    90    99   100   0.15000  1.0 3.0
   95    90    99   101   0.15000  1.0 3.0
   95    90    99   102   0.15000  1.0 3.0
   95    90   103   104  -0.11600  1.0 1.0
   95    90   103   104  -0.09450 -1.0 2.0
   95    90   103   104   0.21250  1.0 3.0
   99    90    95    96   0.15000  1.0 3.0
   99    90    95    97   0.15000  1.0 3.0
   99    90    95    98   0.15000  1.0 3.0
   99    90   103   104  -0.11600  1.0 1.0
   99    90   103   104  -0.09450 -1.0 2.0
   99    90   103   104   0.21250  1.0 3.0
  103    90    95    96   0.23400  1.0 3.0
  103    90    95    97   0.23400  1.0 3.0
  103    90    95    98   0.23400  1.0 3.0
  103    90    99   100   0.23400  1.0 3.0
  103    90    99   101   0.23400  1.0 3.0
  103    90    99   102   0.23400  1.0 3.0
   91    83    65    61   0.56750  1.0 1.0
   91    83    65    61  -0.07550 -1.0 2.0
   91    83    65    61   0.20000  1.0 3.0
   91    83    65    66   0.15000  1.0 3.0
   91    83    65    68   0.56750  1.0 1.0
   91    83    65    68  -0.07550 -1.0 2.0
   91    83    65    68   0.20000  1.0 3.0
   88    76    83    84   0.23400  1.0 3.0
   88    76    83    65   0.86500  1.0 1.0
   88    76    83    65  -0.17500 -1.0 2.0
   88    76    83    65   0.20800  1.0 3.0
   88    76    83    91   0.86500  1.0 1.0
   88    76    83    91  -0.17500 -1.0 2.0
   88    76    83    91   0.20800  1.0 3.0
   81    70    74    47   0.86500  1.0 1.0
   81    70    74    47  -0.17500 -1.0 2.0
   81    70    74    47   0.20800  1.0 3.0
   81    70    74    61   0.86500  1.0 1.0
   81    70    74    61  -0.17500 -1.0 2.0
   81    70    74    61   0.20800  1.0 3.0
   81    70    74    75   0.23400  1.0 3.0
   81    70    76    77   0.23400  1.0 3.0
   81    70    76    83   0.86500  1.0 1.0
   81    70    76    83  -0.17500 -1.0 2.0
   81    70    76    83   0.20800  1.0 3.0
   81    70    76    88   3.75450  1.0 1.0
   52    47    50    33   0.56750  1.0 1.0
   52    47    50    33  -0.07550 -1.0 2.0
   52    47    50    33   0.20000  1.0 3.0
   52    47    50    51   0.15000  1.0 3.0
   52    47    50    56   0.56750  1.0 1.0
   52    47    50    56  -0.07550 -1.0 2.0
   52    47    50    56   0.20000  1.0 3.0
   52    47    74    61   0.56750  1.0 1.0
   52    47    74    61  -0.07550 -1.0 2.0
   52    47    74    61   0.20000  1.0 3.0
   52    47    74    70   3.97050  1.0 1.0
   52    47    74    75   0.15000  1.0 3.0
   48    45    47    50   0.86500  1.0 1.0
   48    45    47    50  -0.17500 -1.0 2.0
   48    45    47    50   0.20800  1.0 3.0
   48    45    47    74   0.86500  1.0 1.0
   48    45    47    74  -0.17500 -1.0 2.0
   48    45    47    74   0.20800  1.0 3.0
   48    45    47    52   0.86500  1.0 1.0
   48    45    47    52  -0.17500 -1.0 2.0
   48    45    47    52   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33    50    56   0.56750  1.0 1.0
   39    33    50    56  -0.07550 -1.0 2.0
   39    33    50    56   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    43   1.10000 -1.0 2.0
   45    44    43    37   1.10000 -1.0 2.0
   68    78    71    72  10.50000 -1.0 2.0
   73    85    79    80  10.50000 -1.0 2.0
END
