* LIGAND DATABASE FILE (OPLS2005)
*
001     100   105    199    336     601
    1     0 S   NP   _N1_     1    28.71050    95.90912   -20.88341
    2     1 S   H    _HN1     2     1.02966    87.07331    32.81289
    3     1 S   H    _H1_     3     1.02838    38.30671   155.29432
    4     1 S   H    _H2_     4     1.02771    84.27518   -75.97660
    5     1 S   CT   _CA1     5     1.50109   148.99107   159.05305
    6     5 S   HC   _HA1     6     1.09554   105.33411    56.73574
    7     5 S   CO3  _C1_     7     1.53834   112.23396   -63.80914
    8     7 S   O2Z  _O11     8     1.26336   114.82259   -43.80485
    9     7 S   O2Z  _O12     9     1.26221   114.96850   135.36914
   10     5 S   CT   _CB1    10     1.53078   107.46713   175.00468
   11    10 S   HC   HB11    11     1.09819   109.67711   -48.02848
   12    10 S   HC   HB12    12     1.09832   110.30155    68.63709
   13    10 S   CT   _CG1    13     1.52990   112.55674  -169.01395
   14    13 S   HC   HG11    14     1.09552   110.53163   -57.68301
   15    13 S   HC   HG12    15     1.09630   110.07324    61.41394
   16    13 S   C    _CD1    16     1.51800   112.09007  -178.29797
   17    16 S   O    _OE1    17     1.22720   123.21668    -9.32668
   18    16 S   N    _N2_    18     1.38539   111.63737   171.02377
   19    18 S   H    _HN2    19     1.01582   119.02960     1.74024
   20    18 S   CT1  _CA2    20     1.46253   123.50894  -177.64748
   21    20 S   HC   _HA2    21     1.09731   109.44942   -11.82923
   22    20 S   C    _C2_    22     1.53424   108.20909  -127.49621
   23    22 S   O    _O2_    23     1.22995   122.33974  -145.60404
   24    20 S   CT   _CB2    32     1.53543   111.15709   110.28997
   25    24 S   HC   HB21    33     1.09285   109.21729    55.20275
   26    24 S   HC   HB22    34     1.09509   110.08100   173.59225
   27    22 S   N    _N3_    24     1.38549   113.32592    41.78855
   28    27 S   H    _HN3    25     1.01520   118.88595    -0.57539
   29    24 S   S    _SG2    35     1.83280   111.16326   -67.49953
   30    27 S   CT   _CA3    26     1.45445   123.45900   175.10483
   31    30 S   HC   HA31    27     1.09522   109.25345    24.04323
   32    30 S   HC   HA32    28     1.09496   107.11272   141.05313
   33    29 S   CT   _C9_    36     1.88434   103.62869   156.36663
   34    30 S   CO3  _C3_    29     1.52926   113.12767   -99.44557
   35    34 S   O2Z  _O31    30     1.26403   115.41613   -43.94650
   36    34 S   O2Z  _O32    31     1.26357   114.97689   137.01155
   37    33 S   CM   _C25    37     1.52299   106.33933    38.31138
   38    37 S   HC   _H28    38     1.08850   117.12299   -91.43775
   39    33 S   CT   _C10    79     1.59619   113.81133   -88.46225
   40    37 S   CMA  _C26    39     1.35338   124.97249    91.74501
   41    40 S   OM   _O36    40     1.26229   127.98554   174.25823
   42    39 S   OH   _O33    80     1.44938   104.29350   170.22662
   43    42 S   HO   _H27    81     0.96889   109.99897    69.84243
   44    40 S   CT   _C27    41     1.56058   119.18655    -2.60789
   45    44 S   HC   _H5_    42     1.10167   106.85577   113.37950
   46    44 S   OS   _O34    43     1.44990   112.42695    -2.37149
   47    44 S   CT   _C28    90     1.57181   117.48131  -125.87694
   48    33 S   CT   _C8_    44     1.55942   110.20905   150.20931
   49    48 S   HC   _H3_    45     1.10008   110.56371  -170.80967
   50    47 S   CT   _C29    91     1.53917   110.73333   175.49007
   51    50 S   HC   _H29    92     1.09647   110.85087   173.06130
   52    50 S   HC   _H30    93     1.09604   110.60264    55.43472
   53    50 S   HC   _H31    94     1.09461   112.36398   -66.08414
   54    47 S   CT   _C30    95     1.53382   112.66125    53.28691
   55    54 S   HC   _H32    96     1.09649   110.71405  -179.82529
   56    54 S   HC   _H33    97     1.09466   111.60044   -62.24470
   57    54 S   HC   _H34    98     1.09369   111.76480    59.84622
   58    47 S   OH   _O35    99     1.43323   109.66569   -68.08384
   59    58 S   HO   _H35   100     0.97158   108.20986   173.30895
   60    48 S   CT   _C7_    46     1.52635   114.78912    70.20061
   61    60 S   HC   _H11    47     1.09440   111.00800   -68.80494
   62    60 S   HC   _H12    48     1.09815   108.77625   177.21674
   63    60 S   CT   _C6_    49     1.53530   111.69541    57.12958
   64    63 S   HC   _H9_    50     1.09405   107.32172    68.03326
   65    63 S   HC   _H10    51     1.09632   108.44749  -178.06124
   66    63 S   CT   _C5_    52     1.55665   113.67136   -55.09533
   67    66 S   CT   _C14    53     1.58940   112.27031   172.23130
   68    66 S   CT   _C4_    86     1.56627   105.81844   -69.39302
   69    68 S   HC   _H6_    87     1.09071   113.10244   163.09713
   70    68 S   HC   _H7_    88     1.09006   113.39932    41.64854
   71    68 S   HC   _H8_    89     1.09403   111.91036   -75.61965
   72    67 S   C5A  _C15    54     1.50201   120.10306    73.06778
   73    67 S   CT   _C24    82     1.56021   115.88549   -53.89013
   74    73 S   HC   _H24    83     1.08854   114.47361   -67.04547
   75    73 S   HC   _H25    84     1.09816   112.01576   174.19782
   76    73 S   HC   _H26    85     1.09427   111.46103    56.58747
   77    72 S   C5B  _C16    55     1.37624   113.80270   138.15583
   78    72 S   NA   _N4_    66     1.35161   136.34901   -47.61177
   79    78 S   H    _H21    67     1.01065   126.81927     3.93179
   80    77 S   C56B _C17    56     1.40348   108.06395   177.46441
   81    77 S   CT   _C23    68     1.49316   111.30019    -3.46978
   82    81 S   HC   _H22    69     1.09389   111.59477    97.64790
   83    81 S   HC   _H23    70     1.09318   112.61632  -138.11174
   84    80 S   CA   _C18    57     1.40682   135.01978   178.88618
   85    84 S   HA   _H17    58     1.08598   120.71044    -0.19383
   86    67 S   CT   _C13    71     1.60050   107.14804  -179.49487
   87    86 S   HC   _H4_    72     1.10093   108.86039   -50.95996
   88    84 S   CA   _C19    59     1.39930   119.13796  -179.96044
   89    88 S   HA   _H18    60     1.08686   119.46515   179.89721
   90    86 S   CT   _C12    73     1.51249   112.50355    64.72985
   91    90 S   HC   _H15    74     1.09627   109.96573  -179.63792
   92    90 S   HC   _H16    75     1.09406   111.78512    62.22291
   93    88 S   CA   _C20    61     1.39385   120.85638    -0.04423
   94    93 S   HA   _H19    62     1.08717   119.49821   180.00000
   95    90 S   CT   _C11    76     1.55096   108.71623   -60.45172
   96    95 S   HC   _H13    77     1.09595   106.41982   176.34923
   97    95 S   HC   _H14    78     1.09372   107.83313   -69.11706
   98    93 S   CA   _C21    63     1.39828   121.15859     0.05595
   99    98 S   HA   _H20    64     1.08489   120.86767   179.89721
  100    80 S   C56A _C22    65     1.40871   105.95573    -1.01914
  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
  22   2   1   1  14   5  25   9   4  10   2  16   6  10  11   9
   4   9   4   3   2   5   3   2   1   1   1   8   5   4  12   4
   3  19  23   7   2   1   1  17   9   3   2   1  14   9   3  12
  10   4   3   7   4   7   4   6   3   5   4   3   4   3   2   1
   1   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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    46    48    49    60    66    95    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    44    46    48    49    60    61    62    63    66    67    90    95    96    97    39    42    43    68  
   35    36  
   36  
    0  
   38    40    41    44    45    46    48    49    60    66    95    39    42    47  
   40    41    44    48    39  
   42    43    73    68    69    70    71    40    46    48    49    60    63    64    65    66    67    72    86    90    91    92    95    96    97  
   41    44    45    46    48    47    50    54    58  
   44    45    46    47  
   43    68    48    63    66    67    90    95    96    97  
   66    95  
   45    46    48    49    60    47    50    51    52    53    54    55    56    57    58    59  
   46    48    47    50    54    58  
   48    49    60    61    62    63    47    50    54    58  
   50    51    52    53    54    55    56    57    58    59    48  
   49    60    61    62    63    64    65    66    95  
   60    61    62    63  
   51    52    53    54    55    56    57    58    59  
   52    53    54    58  
   53    54    58  
   54    58  
   55    56    57    58    59  
   56    57    58  
   57    58  
   58  
   59  
    0  
   61    62    63    64    65    66    67    68  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    72    86    95    73    68    69    70    71  
   65    66    67    68  
   66    67    68  
   67    72    77    78    81    86    87    90    95    96    97    73    74    75    76    68    69    70    71  
   72    77    80   100    78    79    81    82    83    86    87    90    91    92    95    73    74    75    76    68    69    70    71  
   69    70    71    72    73    86    95  
   70    71  
   71  
    0  
   77    80    84    98   100    78    79    81    82    83    86    87    90    73    74    75    76  
   74    75    76    77    78    81    86    87    90  
   75    76    86  
   76    86  
   86  
   80    84    85    88    98   100    78    79    81    82    83    86    87    90  
   79    81    86    80    84    93    98    99   100  
   80    98   100  
   84    85    88    89    93    98    99   100    81    82    83    86  
   82    83    86    87    90    91    92    95    84   100  
   83    86    87    90  
   86    87    90  
   85    88    89    93    94    98   100  
   88    89    93   100  
   87    90    91    92    95    96    97  
   90    91    92    95  
   89    93    94    98    99   100  
   93    94    98  
   91    92    95    96    97  
   92    95    96    97  
   95    96    97  
   94    98    99   100  
   98    99   100  
   96    97  
   97  
    0  
   99   100  
  100  
    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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   78   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   79   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   95   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
  100   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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    48   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    44   270.000  1.512
   44    45   340.000  1.090
   44    46   320.000  1.410
   44    47   268.000  1.529
   46    48   320.000  1.410
   48    49   340.000  1.090
   48    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   268.000  1.529
   66    39   268.000  1.529
   66    68   268.000  1.529
   67    72   295.000  1.489
   67    86   268.000  1.529
   67    73   268.000  1.529
   72    77   520.000  1.370
   72    78   427.000  1.381
   77    80   380.000  1.440
   77    81   295.000  1.494
   80    84   469.000  1.404
   80   100   447.000  1.419
   84    85   367.000  1.080
   84    88   469.000  1.400
   88    89   367.000  1.080
   88    93   469.000  1.400
   93    94   367.000  1.080
   93    98   469.000  1.400
   98    99   367.000  1.080
   98   100   469.000  1.400
  100    78   428.000  1.380
   78    79   434.000  1.010
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    86   268.000  1.529
   86    87   340.000  1.090
   86    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    39   268.000  1.529
   39    42   320.000  1.410
   42    43   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   47    50   268.000  1.529
   47    54   268.000  1.529
   47    58   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   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  112.20000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    48    46    50.00000  109.50000
   33    48    49    37.50000  110.70000
   33    48    60    58.35000  112.70000
   33    39    66    58.35000  112.70000
   33    39    95    58.35000  112.70000
   33    39    42    50.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    44    65.00000  122.18000
   40    37    38    40.00000  120.50800
   40    44    45    45.00000  110.52000
   40    44    46    85.00000  110.90400
   40    44    47    70.00000  112.02700
   44    40    41    85.00000  112.85300
   44    46    48    60.00000  109.50000
   44    47    50    58.35000  112.70000
   44    47    54    58.35000  112.70000
   44    47    58    50.00000  109.50000
   46    44    45    35.00000  109.50000
   46    48    49    35.00000  109.50000
   46    48    60    50.00000  109.50000
   48    33    37    70.00000  112.02700
   48    60    61    37.50000  110.70000
   48    60    62    37.50000  110.70000
   48    60    63    58.35000  112.70000
   60    48    49    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    58.35000  112.70000
   63    66    39    58.35000  112.70000
   63    66    68    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    67    72    70.00000  113.44400
   66    67    86    58.35000  112.70000
   66    67    73    58.35000  112.70000
   66    39    95    58.35000  112.70000
   66    39    42    50.00000  109.50000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    71    37.50000  110.70000
   67    72    77    55.00000  130.44200
   67    72    78    65.00000  122.56900
   67    86    81    58.35000  112.70000
   67    86    87    37.50000  110.70000
   67    86    90    58.35000  112.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    76    37.50000  110.70000
   72    77    80    80.00000  105.82900
   72    77    81    55.00000  127.77900
   72    78   100    90.00000  107.14200
   72    78    79    35.00000  120.00000
   77    80    84    50.00000  134.85500
   77    80   100    80.00000  107.43600
   77    81    82    45.00000  111.11700
   77    81    83    45.00000  111.11700
   77    81    86    70.00000  112.62400
   80    84    85    35.00000  120.00000
   80    84    88    63.00000  120.00000
   80   100    98    85.00000  122.70000
   80   100    78    70.00000  104.40000
   84    88    89    35.00000  120.00000
   84    88    93    63.00000  120.00000
   88    84    85    35.00000  120.00000
   88    93    94    35.00000  120.00000
   88    93    98    63.00000  120.00000
   93    88    89    35.00000  120.00000
   93    98    99    35.00000  120.00000
   93    98   100    85.00000  120.00000
   98    93    94    35.00000  120.00000
   98   100    78    70.00000  132.80000
  100    80    84    85.00000  116.20000
  100    98    99    35.00000  120.00000
  100    78    79    35.00000  123.10000
   78    72    77    70.00000  106.30000
   81    77    80    55.00000  128.73000
   81    86    87    37.50000  110.70000
   81    86    90    58.35000  112.70000
   83    81    82    33.00000  107.80000
   86    67    72    70.00000  113.44400
   86    81    82    37.50000  110.70000
   86    81    83    37.50000  110.70000
   86    90    91    37.50000  110.70000
   86    90    92    37.50000  110.70000
   86    90    95    58.35000  112.70000
   90    86    87    37.50000  110.70000
   90    95    96    37.50000  110.70000
   90    95    97    37.50000  110.70000
   90    95    39    58.35000  112.70000
   92    90    91    33.00000  107.80000
   95    90    91    37.50000  110.70000
   95    90    92    37.50000  110.70000
   95    39    42    50.00000  109.50000
   97    95    96    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    66    67    58.35000  112.70000
   39    95    96    37.50000  110.70000
   39    95    97    37.50000  110.70000
   39    42    43    55.00000  108.50000
   73    67    72    70.00000  113.44400
   73    67    86    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   68    66    67    58.35000  112.70000
   68    66    39    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    50.00000  109.50000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    56    37.50000  110.70000
   47    54    57    37.50000  110.70000
   47    58    59    55.00000  108.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    47    50    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    47    50    50.00000  109.50000
   58    47    54    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
   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
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
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   68    66    67    72  -0.47300  1.0 3.0
   68    66    67    86   0.56750  1.0 1.0
   68    66    67    86  -0.07550 -1.0 2.0
   68    66    67    86   0.20000  1.0 3.0
   68    66    67    73   0.56750  1.0 1.0
   68    66    67    73  -0.07550 -1.0 2.0
   68    66    67    73   0.20000  1.0 3.0
   68    66    39    33   0.56750  1.0 1.0
   68    66    39    33  -0.07550 -1.0 2.0
   68    66    39    33   0.20000  1.0 3.0
   68    66    39    95   0.56750  1.0 1.0
   68    66    39    95  -0.07550 -1.0 2.0
   68    66    39    95   0.20000  1.0 3.0
   68    66    39    42   0.86500  1.0 1.0
   68    66    39    42  -0.17500 -1.0 2.0
   68    66    39    42   0.20800  1.0 3.0
   47    44    46    48   0.06250  1.0 1.0
   47    44    46    48  -0.01100 -1.0 2.0
   47    44    46    48   0.28050  1.0 3.0
   50    47    54    55   0.15000  1.0 3.0
   50    47    54    56   0.15000  1.0 3.0
   50    47    54    57   0.15000  1.0 3.0
   50    47    58    59  -0.11600  1.0 1.0
   50    47    58    59  -0.09450 -1.0 2.0
   50    47    58    59   0.21250  1.0 3.0
   54    47    50    51   0.15000  1.0 3.0
   54    47    50    52   0.15000  1.0 3.0
   54    47    50    53   0.15000  1.0 3.0
   54    47    58    59  -0.11600  1.0 1.0
   54    47    58    59  -0.09450 -1.0 2.0
   54    47    58    59   0.21250  1.0 3.0
   58    47    50    51   0.23400  1.0 3.0
   58    47    50    52   0.23400  1.0 3.0
   58    47    50    53   0.23400  1.0 3.0
   58    47    54    55   0.23400  1.0 3.0
   58    47    54    56   0.23400  1.0 3.0
   58    47    54    57   0.23400  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
   33    38    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   77    78    72    67   4.00000 -1.0 2.0
   80    81    77    72   4.00000 -1.0 2.0
   84   100    80    77   4.00000 -1.0 2.0
   88    85    84    80   1.10000 -1.0 2.0
   93    89    88    84   1.10000 -1.0 2.0
   98    94    93    88   1.10000 -1.0 2.0
  100    99    98    93   1.10000 -1.0 2.0
   98    78   100    80   4.00000 -1.0 2.0
   79    72    78   100   1.00000 -1.0 2.0
END
