* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    221    364     677
    1     0 S   NP   _N1_     1    28.96733    95.85473   -19.27588
    2     1 S   H    _HN1     2     1.02961    95.26326    41.04485
    3     1 S   H    _H1_     3     1.02837    42.29060   150.66051
    4     1 S   H    _H2_     4     1.02775    73.73216   -66.55361
    5     1 S   CT   _CA1     5     1.50124   148.89748  -172.83459
    6     5 S   HC   _HA1     6     1.09564   105.27033    33.83984
    7     5 S   CO3  _C1_     7     1.53907   112.29794   -86.48303
    8     7 S   O2Z  _O11     8     1.26373   115.02282   -42.97220
    9     7 S   O2Z  _O12     9     1.26220   114.90673   136.14664
   10     5 S   CT   _CB1    10     1.53089   107.42868   151.89274
   11    10 S   HC   HB11    11     1.09818   109.64645   -48.75038
   12    10 S   HC   HB12    12     1.09822   110.21539    67.82059
   13    10 S   CT   _CG1    13     1.53028   112.66001  -169.81435
   14    13 S   HC   HG11    14     1.09560   110.28673   -57.25575
   15    13 S   HC   HG12    15     1.09607   110.23018    61.90590
   16    13 S   C    _CD1    16     1.51821   112.04953  -177.70467
   17    16 S   O    _OE1    17     1.22730   123.15761   -13.33931
   18    16 S   N    _N2_    18     1.38594   111.71111   166.74569
   19    18 S   H    _HN2    19     1.01592   118.97302     2.90138
   20    18 S   CT1  _CA2    20     1.46298   123.48675  -174.21636
   21    20 S   HC   _HA2    21     1.09729   109.34906   -17.97624
   22    20 S   C    _C2_    22     1.53365   108.23160  -133.88391
   23    22 S   O    _O2_    23     1.22995   122.29643  -145.37884
   24    20 S   CT   _CB2    32     1.53851   111.13211   104.10512
   25    24 S   HC   HB21    33     1.09181   108.97322    55.79328
   26    24 S   HC   HB22    34     1.09463   110.10620   174.16635
   27    22 S   N    _N3_    24     1.38524   113.26151    41.91467
   28    27 S   H    _HN3    25     1.01542   118.87024    -0.63704
   29    24 S   S    _SG2    35     1.82896   111.13448   -66.81119
   30    27 S   CT   _CA3    26     1.45462   123.53374   175.22582
   31    30 S   HC   HA31    27     1.09518   109.31747    22.20294
   32    30 S   HC   HA32    28     1.09498   107.08038   139.21993
   33    29 S   CT   _C20    36     1.88430   104.75642   157.31224
   34    30 S   CO3  _C3_    29     1.52932   113.14809  -101.34094
   35    34 S   O2Z  _O31    30     1.26401   115.43522   -43.25937
   36    34 S   O2Z  _O32    31     1.26361   114.96471   137.70670
   37    33 S   CT   _C6_    37     1.55201   110.28669    38.16692
   38    37 S   HC   _H35    38     1.09280   113.33212   -54.13263
   39    37 S   HC   _H36    39     1.09653   111.46847  -172.09754
   40    33 S   CT   _C15    55     1.61833   106.02422   157.60451
   41    40 S   HC   _H51    56     1.09559   108.19161    33.65327
   42    37 S   CO4  _C4_    40     1.50354   113.27705    71.82570
   43    42 S   O    _O28    41     1.22734   122.20132  -120.49993
   44    40 S   CT   _C8_    57     1.55132   110.38706   145.40480
   45    44 S   HC   _H39    58     1.09448   110.90164  -176.71187
   46    44 S   HC   _H40    59     1.09680   109.19863    66.76208
   47    42 S   CT   _C13    42     1.51277   113.94720    61.67123
   48    47 S   HC   _H49    43     1.10012   106.13497    52.24583
   49    44 S   CT   _C10    60     1.54908   115.53718   -57.53851
   50    49 S   HC   _H43    61     1.09385   106.22205   150.77576
   51    49 S   HC   _H44    62     1.09740   107.82093   -96.32579
   52    47 S   CT   _C7_    44     1.52713   112.20273   168.57275
   53    52 S   HC   _H37    45     1.09466   112.65816    58.63860
   54    52 S   HC   _H38    46     1.09691   109.47015   -60.18453
   55    49 S   CT   _C17    63     1.54540   115.06482    26.44394
   56    52 S   CO4  _C5_    47     1.51088   110.69490  -179.38579
   57    56 S   O    _O29    48     1.23224   120.93243   140.48602
   58    55 S   CT   _C16    64     1.60054   118.73515   148.71843
   59    58 S   HC   _H52    65     1.10012   107.91357   117.06805
   60    55 S   CT   _C21   102     1.55522   108.32129   -92.83051
   61    60 S   HC   _H53   103     1.09433   112.13931   173.16413
   62    60 S   HC   _H54   104     1.08865   114.23432    50.25278
   63    60 S   HC   _H55   105     1.09768   109.99386   -68.09446
   64    56 S   CT   _C14    49     1.51832   118.00810   -45.39650
   65    64 S   HC   _H50    50     1.09669   108.11488   158.31479
   66    58 S   CT   _C9_    66     1.55016   104.73257  -131.95913
   67    66 S   HC   _H41    67     1.09514   111.84831  -135.64918
   68    66 S   HC   _H42    68     1.09551   111.41648   104.00796
   69    58 S   CT   _C28    75     1.55952   119.35341    -2.46839
   70    69 S   HC   _H72    76     1.09630   108.76286   -48.11962
   71    64 S   CT   _C12    51     1.53426   112.47875    39.20722
   72    71 S   HC   _H47    52     1.09657   104.81405    76.33204
   73    71 S   HC   _H48    53     1.09717   109.52406  -168.20724
   74    66 S   CT   _C11    69     1.52812   106.11304   -14.39798
   75    74 S   HC   _H45    70     1.09449   109.68047   157.96579
   76    74 S   HC   _H46    71     1.09133   109.24269   -82.82703
   77    69 S   CT   _C23    77     1.54103   109.81344    70.26841
   78    77 S   HC   _H59    78     1.09466   111.56557    68.57885
   79    77 S   HC   _H60    79     1.09437   111.10758  -170.67013
   80    77 S   HC   _H61    80     1.09005   112.65742   -51.54415
   81    69 S   CT   _C29    81     1.56147   112.91552  -165.84122
   82    81 S   HC   _H73    82     1.09472   108.56436    64.25657
   83    64 S   OH   _O30   110     1.41376   109.35987   -85.05692
   84    83 S   HO   _H74   111     0.97306   107.53122   -63.36490
   85    47 S   CT   _C18    54     1.54276   108.79554   -64.62793
   86    33 S   CT   _C19    72     1.59278   110.80366   -83.13919
   87    81 S   CT   _C26    83     1.53984   113.96070  -176.42117
   88    87 S   HC   _H68    84     1.09485   109.55335    70.13990
   89    87 S   HC   _H69    85     1.09489   109.01122   -48.25983
   90    81 S   OH   _O34   100     1.42588   110.95582   -52.39909
   91    90 S   HO   _H76   101     0.97135   108.56782   -64.77248
   92    86 S   OH   _O33    73     1.45852   107.40382   160.12615
   93    92 S   HO   _H75    74     0.97242   108.60255   -85.40994
   94    87 S   CT   _C27    86     1.53586   111.71077  -169.85041
   95    94 S   HC   _H70    87     1.09875   109.15192    56.36256
   96    94 S   HC   _H71    88     1.09845   109.51132   -57.92475
   97    85 S   CT   _C22   106     1.55584   110.73915   -67.89713
   98    97 S   HC   _H56   107     1.09077   112.57446    55.16427
   99    97 S   HC   _H57   108     1.09113   113.28151   -63.29746
  100    97 S   HC   _H58   109     1.09572   110.93375   176.68235
  101    94 S   CT   _C30    89     1.54215   115.51616   179.11884
  102   101 S   CT   _C24    90     1.53021   112.23050    62.78599
  103   102 S   HC   _H62    91     1.09586   110.76163    54.35557
  104   102 S   HC   _H63    92     1.09627   110.81903   172.10168
  105   102 S   HC   _H64    93     1.09407   112.16683   -67.17878
  106   101 S   CT   _C25    94     1.53021   112.25827   -62.48367
  107   106 S   HC   _H65    95     1.09585   110.76337   -54.29333
  108   106 S   HC   _H66    96     1.09629   110.81263  -172.03050
  109   106 S   HC   _H67    97     1.09403   112.18401    67.25790
  110   101 S   OH   _O35    98     1.43446   106.23211  -179.83449
  111   110 S   HO   _H77    99     0.97246   108.09064  -179.87180
  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
  25   2   1   1  15   6   5  24   9  11   4  13   6   5  15   7
  15   5   4  10   5   4  19   9   4  23  10   8   3   2   1   8
   6  11   6   5  15   8   9   4   3   5   3   2   7   3   2   1
  10   6   2   1   5   2  11   6   5   2   1   1   1  13   5   4
   3   2   1   1  10   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    40    86    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    85    40    41    44    55    74    86    92  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    47    71    85    40    41    44    45    46    49    55    58    66    74    75    76    86    92    93    60    97  
   35    36  
   36  
    0  
   38    39    42    43    47    48    52    85    40    41    44    55    74    86    92  
   39    42    43    47    40    86  
   42    43    47    40    86  
   41    44    45    46    49    50    51    55    74    86    92    97    98    99   100    42    47    48    52    64    71    72    73    85  
   44    45    46    49    86    97    47    71    85  
   43    47    48    52    53    54    56    71    85    86    97  
   47    48    52    85  
   45    46    49    50    51    55    58    86    60    97    47    71    85  
   46    49    50    51    55    85  
   49    50    51    55    85  
   48    52    53    54    56    57    64    71    72    73    85    97    98    99   100  
   52    53    54    56    71    85    97  
   50    51    55    58    59    66    74    86    92    69    60    61    62    63    85  
   51    55    58    86    60  
   55    58    86    60  
   53    54    56    57    64    65    71    85    97    83  
   54    56    57    64    85  
   56    57    64    85  
   58    59    66    67    68    74    75    76    86    92    93    69    70    77    81    60    61    62    63  
   57    64    65    71    72    73    85    83    84  
   64    65    71    83  
   59    66    67    68    74    75    76    86    92    69    70    77    78    79    80    81    82    87    90    60    61    62    63  
   66    67    68    74    86    69    70    77    81    60  
   61    62    63    66    69    74    86    92  
   62    63    86  
   63    86  
   86  
   65    71    72    73    85    97    83    84  
   71    72    73    85    83    84  
   67    68    74    75    76    86    92    69    70    77    81  
   68    74    75    76    86    69  
   74    75    76    86    69  
   70    77    78    79    80    81    82    87    88    89    94    90    91    74    86  
   77    78    79    80    81    82    87    90  
   72    73    85    97    98    99   100    83    84  
   73    85    97    83  
   85    97    83  
   75    76    86    92    93  
   76    86    92  
   86    92  
   78    79    80    81    82    87    90  
   79    80    81  
   80    81  
   81  
   82    87    88    89    94    95    96   101    90    91  
   87    88    89    94    90    91  
   84    85  
    0  
   86    97    98    99   100  
   92    93  
   88    89    94    95    96   101   102   106   110    90    91  
   89    94    95    96   101    90  
   94    95    96   101    90  
   91    94  
    0  
   93  
    0  
   95    96   101   102   103   104   105   106   107   108   109   110   111  
   96   101   102   106   110  
  101   102   106   110  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104   105   106   107   108   109   110   111  
  103   104   105   106   107   108   109   110   111  
  104   105   106   110  
  105   106   110  
  106   110  
  107   108   109   110   111  
  108   109   110  
  109   110  
  110  
  111  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  111   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   268.000  1.529
   33    40   268.000  1.529
   33    86   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    85   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   317.000  1.522
   56    57   570.000  1.229
   56    64   317.000  1.522
   64    65   340.000  1.090
   64    71   268.000  1.529
   64    83   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    85   268.000  1.529
   85    40   268.000  1.529
   85    97   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    58   268.000  1.529
   55    86   268.000  1.529
   55    60   268.000  1.529
   58    59   340.000  1.090
   58    66   268.000  1.529
   58    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    86   268.000  1.529
   86    92   320.000  1.410
   92    93   553.000  0.945
   69    70   340.000  1.090
   69    77   268.000  1.529
   69    81   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    87   268.000  1.529
   81    90   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   101   268.000  1.529
  101   102   268.000  1.529
  101   106   268.000  1.529
  101   110   320.000  1.410
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  110   111   553.000  0.945
   90    91   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   83    84   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    86    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    40    85    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    86    55    58.35000  112.70000
   33    86    74    58.35000  112.70000
   33    86    92    50.00000  109.50000
   37    42    43    80.00000  120.40000
   37    42    47    70.00000  116.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    52    63.00000  111.10000
   42    47    85    63.00000  111.10000
   47    42    43    80.00000  120.40000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    56    63.00000  111.10000
   47    85    71    58.35000  112.70000
   47    85    40    58.35000  112.70000
   47    85    97    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    56    57    80.00000  120.40000
   52    56    64    70.00000  116.00000
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    64    65    35.00000  109.50000
   56    64    71    63.00000  111.10000
   56    64    83    90.00000  109.61100
   64    56    57    80.00000  120.40000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    85    58.35000  112.70000
   64    83    84    55.00000  108.50000
   71    64    65    37.50000  110.70000
   71    85    40    58.35000  112.70000
   71    85    97    58.35000  112.70000
   73    71    72    33.00000  107.80000
   85    47    48    37.50000  110.70000
   85    47    52    58.35000  112.70000
   85    71    72    37.50000  110.70000
   85    71    73    37.50000  110.70000
   85    40    41    37.50000  110.70000
   85    40    44    58.35000  112.70000
   85    97    98    37.50000  110.70000
   85    97    99    37.50000  110.70000
   85    97   100    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    49    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    55    58.35000  112.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    55    58    58.35000  112.70000
   49    55    86    58.35000  112.70000
   49    55    60    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    66    58.35000  112.70000
   55    58    69    58.35000  112.70000
   55    86    74    58.35000  112.70000
   55    86    92    50.00000  109.50000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    74    58.35000  112.70000
   58    69    70    37.50000  110.70000
   58    69    77    58.35000  112.70000
   58    69    81    58.35000  112.70000
   66    58    59    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    86    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    86    92    50.00000  109.50000
   76    74    75    33.00000  107.80000
   86    33    37    58.35000  112.70000
   86    33    40    58.35000  112.70000
   86    55    58    58.35000  112.70000
   86    74    75    37.50000  110.70000
   86    74    76    37.50000  110.70000
   86    92    93    55.00000  108.50000
   69    58    59    37.50000  110.70000
   69    58    66    58.35000  112.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   69    81    82    37.50000  110.70000
   69    81    87    58.35000  112.70000
   69    81    90    50.00000  109.50000
   77    69    70    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    69    70    37.50000  110.70000
   81    69    77    58.35000  112.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    94    58.35000  112.70000
   81    90    91    55.00000  108.50000
   87    81    82    37.50000  110.70000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94   101    58.35000  112.70000
   89    87    88    33.00000  107.80000
   94    87    88    37.50000  110.70000
   94    87    89    37.50000  110.70000
   94   101   102    58.35000  112.70000
   94   101   106    58.35000  112.70000
   94   101   110    50.00000  109.50000
   96    94    95    33.00000  107.80000
  101    94    95    37.50000  110.70000
  101    94    96    37.50000  110.70000
  101   102   103    37.50000  110.70000
  101   102   104    37.50000  110.70000
  101   102   105    37.50000  110.70000
  101   106   107    37.50000  110.70000
  101   106   108    37.50000  110.70000
  101   106   109    37.50000  110.70000
  101   110   111    55.00000  108.50000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   101   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  110   101   102    50.00000  109.50000
  110   101   106    50.00000  109.50000
   90    81    82    35.00000  109.50000
   90    81    87    50.00000  109.50000
   60    55    58    58.35000  112.70000
   60    55    86    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   97    85    40    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   83    64    65    35.00000  109.50000
   83    64    71    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    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
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   66    58    69    77   0.56750  1.0 1.0
   66    58    69    77  -0.07550 -1.0 2.0
   66    58    69    77   0.20000  1.0 3.0
   66    58    69    81   0.56750  1.0 1.0
   66    58    69    81  -0.07550 -1.0 2.0
   66    58    69    81   0.20000  1.0 3.0
   66    74    86    33   0.56750  1.0 1.0
   66    74    86    33  -0.07550 -1.0 2.0
   66    74    86    33   0.20000  1.0 3.0
   66    74   -86    55   0.56750  1.0 1.0
   66    74   -86    55  -0.07550 -1.0 2.0
   66    74   -86    55   0.20000  1.0 3.0
   66    74    86    92   0.86500  1.0 1.0
   66    74    86    92  -0.17500 -1.0 2.0
   66    74    86    92   0.20800  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    86   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    86   0.15000  1.0 3.0
   74    86    92    93  -0.11600  1.0 1.0
   74    86    92    93  -0.09450 -1.0 2.0
   74    86    92    93   0.21250  1.0 3.0
   75    74    86    33   0.15000  1.0 3.0
   75    74    86    55   0.15000  1.0 3.0
   75    74    86    92   0.23400  1.0 3.0
   76    74    86    33   0.15000  1.0 3.0
   76    74    86    55   0.15000  1.0 3.0
   76    74    86    92   0.23400  1.0 3.0
   86    33    37    38   0.15000  1.0 3.0
   86    33    37    39   0.15000  1.0 3.0
   86    33    37    42  -0.95700  1.0 1.0
   86    33    37    42  -0.18200 -1.0 2.0
   86    33    37    42   0.29450  1.0 3.0
   86    33    40    85   0.56750  1.0 1.0
   86    33    40    85  -0.07550 -1.0 2.0
   86    33    40    85   0.20000  1.0 3.0
   86    33    40    41   0.15000  1.0 3.0
   86    33   -40    44   0.56750  1.0 1.0
   86    33   -40    44  -0.07550 -1.0 2.0
   86    33   -40    44   0.20000  1.0 3.0
   86    55    58    59   0.15000  1.0 3.0
   86    55   -58    66   0.56750  1.0 1.0
   86    55   -58    66  -0.07550 -1.0 2.0
   86    55   -58    66   0.20000  1.0 3.0
   86    55    58    69   0.56750  1.0 1.0
   86    55    58    69  -0.07550 -1.0 2.0
   86    55    58    69   0.20000  1.0 3.0
   86    55    60    61   0.15000  1.0 3.0
   86    55    60    62   0.15000  1.0 3.0
   86    55    60    63   0.15000  1.0 3.0
   69    58    66    67   0.15000  1.0 3.0
   69    58    66    68   0.15000  1.0 3.0
   69    58    66    74   0.56750  1.0 1.0
   69    58    66    74  -0.07550 -1.0 2.0
   69    58    66    74   0.20000  1.0 3.0
   69    81    87    88   0.15000  1.0 3.0
   69    81    87    89   0.15000  1.0 3.0
   69    81    87    94   0.56750  1.0 1.0
   69    81    87    94  -0.07550 -1.0 2.0
   69    81    87    94   0.20000  1.0 3.0
   69    81    90    91  -0.11600  1.0 1.0
   69    81    90    91  -0.09450 -1.0 2.0
   69    81    90    91   0.21250  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    80   0.15000  1.0 3.0
   70    69    81    82   0.15000  1.0 3.0
   70    69    81    87   0.15000  1.0 3.0
   70    69    81    90   0.23400  1.0 3.0
   77    69    81    82   0.15000  1.0 3.0
   77    69    81    87   0.56750  1.0 1.0
   77    69    81    87  -0.07550 -1.0 2.0
   77    69    81    87   0.20000  1.0 3.0
   77    69    81    90   0.86500  1.0 1.0
   77    69    81    90  -0.17500 -1.0 2.0
   77    69    81    90   0.20800  1.0 3.0
   81    69    77    78   0.15000  1.0 3.0
   81    69    77    79   0.15000  1.0 3.0
   81    69    77    80   0.15000  1.0 3.0
   81    87    94    95   0.15000  1.0 3.0
   81    87    94    96   0.15000  1.0 3.0
   81    87    94   101   0.56750  1.0 1.0
   81    87    94   101  -0.07550 -1.0 2.0
   81    87    94   101   0.20000  1.0 3.0
   82    81    87    88   0.15000  1.0 3.0
   82    81    87    89   0.15000  1.0 3.0
   82    81    87    94   0.15000  1.0 3.0
   82    81    90    91   0.19450  1.0 3.0
   87    81    90    91  -0.11600  1.0 1.0
   87    81    90    91  -0.09450 -1.0 2.0
   87    81    90    91   0.21250  1.0 3.0
   87    94   101   102   0.56750  1.0 1.0
   87    94   101   102  -0.07550 -1.0 2.0
   87    94   101   102   0.20000  1.0 3.0
   87    94   101   106   0.56750  1.0 1.0
   87    94   101   106  -0.07550 -1.0 2.0
   87    94   101   106   0.20000  1.0 3.0
   87    94   101   110   0.86500  1.0 1.0
   87    94   101   110  -0.17500 -1.0 2.0
   87    94   101   110   0.20800  1.0 3.0
   88    87    94    95   0.15000  1.0 3.0
   88    87    94    96   0.15000  1.0 3.0
   88    87    94   101   0.15000  1.0 3.0
   89    87    94    95   0.15000  1.0 3.0
   89    87    94    96   0.15000  1.0 3.0
   89    87    94   101   0.15000  1.0 3.0
   94   101   102   103   0.15000  1.0 3.0
   94   101   102   104   0.15000  1.0 3.0
   94   101   102   105   0.15000  1.0 3.0
   94   101   106   107   0.15000  1.0 3.0
   94   101   106   108   0.15000  1.0 3.0
   94   101   106   109   0.15000  1.0 3.0
   94   101   110   111  -0.11600  1.0 1.0
   94   101   110   111  -0.09450 -1.0 2.0
   94   101   110   111   0.21250  1.0 3.0
   95    94   101   102   0.15000  1.0 3.0
   95    94   101   106   0.15000  1.0 3.0
   95    94   101   110   0.23400  1.0 3.0
   96    94   101   102   0.15000  1.0 3.0
   96    94   101   106   0.15000  1.0 3.0
   96    94   101   110   0.23400  1.0 3.0
  102   101   106   107   0.15000  1.0 3.0
  102   101   106   108   0.15000  1.0 3.0
  102   101   106   109   0.15000  1.0 3.0
  102   101   110   111  -0.11600  1.0 1.0
  102   101   110   111  -0.09450 -1.0 2.0
  102   101   110   111   0.21250  1.0 3.0
  106   101   102   103   0.15000  1.0 3.0
  106   101   102   104   0.15000  1.0 3.0
  106   101   102   105   0.15000  1.0 3.0
  106   101   110   111  -0.11600  1.0 1.0
  106   101   110   111  -0.09450 -1.0 2.0
  106   101   110   111   0.21250  1.0 3.0
  110   101   102   103   0.23400  1.0 3.0
  110   101   102   104   0.23400  1.0 3.0
  110   101   102   105   0.23400  1.0 3.0
  110   101   106   107   0.23400  1.0 3.0
  110   101   106   108   0.23400  1.0 3.0
  110   101   106   109   0.23400  1.0 3.0
   90    81    87    88   0.23400  1.0 3.0
   90    81    87    89   0.23400  1.0 3.0
   90    81    87    94   0.86500  1.0 1.0
   90    81    87    94  -0.17500 -1.0 2.0
   90    81    87    94   0.20800  1.0 3.0
   60    55    58    59   0.15000  1.0 3.0
   60    55    58    66   0.56750  1.0 1.0
   60    55    58    66  -0.07550 -1.0 2.0
   60    55    58    66   0.20000  1.0 3.0
   60    55    58    69   0.56750  1.0 1.0
   60    55    58    69  -0.07550 -1.0 2.0
   60    55    58    69   0.20000  1.0 3.0
   60    55    86    33   0.56750  1.0 1.0
   60    55    86    33  -0.07550 -1.0 2.0
   60    55    86    33   0.20000  1.0 3.0
   60    55    86    74   0.56750  1.0 1.0
   60    55    86    74  -0.07550 -1.0 2.0
   60    55    86    74   0.20000  1.0 3.0
   60    55    86    92   0.86500  1.0 1.0
   60    55    86    92  -0.17500 -1.0 2.0
   60    55    86    92   0.20800  1.0 3.0
   97    85    40    33   0.56750  1.0 1.0
   97    85    40    33  -0.07550 -1.0 2.0
   97    85    40    33   0.20000  1.0 3.0
   97    85    40    41   0.15000  1.0 3.0
   97    85    40    44   0.56750  1.0 1.0
   97    85    40    44  -0.07550 -1.0 2.0
   97    85    40    44   0.20000  1.0 3.0
   83    64    71    72   0.23400  1.0 3.0
   83    64    71    73   0.23400  1.0 3.0
   83    64    71    85   0.86500  1.0 1.0
   83    64    71    85  -0.17500 -1.0 2.0
   83    64    71    85   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
   36    30    34    35  10.50000 -1.0 2.0
   37    47    42    43  10.50000 -1.0 2.0
   52    64    56    57  10.50000 -1.0 2.0
END
