* LIGAND DATABASE FILE (OPLS2005)
*
001     104   108    206    341     628
    1     0 S   NP   _N1_     1    30.71172    98.04199   -15.45283
    2     1 S   H    _HN1     2     1.02785    47.11350   -92.55414
    3     1 S   H    _H1_     3     1.02956    90.24949    22.50649
    4     1 S   H    _H2_     4     1.02840    72.46705   130.41808
    5     1 S   CT   _CA1     5     1.50105   155.93128  -127.73536
    6     5 S   HC   _HA1     6     1.09574   105.30200   -34.00183
    7     5 S   CO3  _C1_     7     1.54039   112.06465  -154.22932
    8     7 S   O2Z  _O11     8     1.26376   115.05596   -50.29059
    9     7 S   O2Z  _O12     9     1.26249   115.01497   128.72347
   10     5 S   CT   _CB1    10     1.53187   107.37461    83.85681
   11    10 S   HC   HB11    11     1.09803   109.83683   -49.58839
   12    10 S   HC   HB12    12     1.09822   110.27859    67.16223
   13    10 S   CT   _CG1    13     1.52905   112.26329  -170.64966
   14    13 S   HC   HG11    14     1.09152   109.76228   -53.41470
   15    13 S   HC   HG12    15     1.09592   110.38264    65.30946
   16    13 S   C    _CD1    16     1.51697   112.23680  -174.11430
   17    16 S   O    _OE1    17     1.22770   122.81682   -22.48160
   18    16 S   N    _N2_    18     1.38650   112.00727   158.56579
   19    18 S   H    _HN2    19     1.01698   119.08653     0.95059
   20    18 S   CT1  _CA2    20     1.46328   123.35057  -178.02821
   21    20 S   HC   _HA2    21     1.09736   109.25721   -11.90375
   22    20 S   C    _C2_    22     1.53421   108.58224  -127.57401
   23    22 S   O    _O2_    23     1.23021   122.22987  -147.77659
   24    20 S   CT   _CB2    32     1.53667   111.49203   109.98722
   25    24 S   HC   HB21    33     1.09297   109.27267    58.75300
   26    24 S   HC   HB22    34     1.09528   110.19186   176.68365
   27    22 S   N    _N3_    24     1.38515   113.45607    39.81965
   28    27 S   H    _HN3    25     1.01517   118.88837    -0.93586
   29    24 S   S    _SG2    35     1.83376   111.08875   -64.41800
   30    27 S   CT   _CA3    26     1.45436   123.37713   175.08223
   31    30 S   HC   HA31    27     1.09531   109.11138    26.57143
   32    30 S   HC   HA32    28     1.09493   107.14078   143.54149
   33    29 S   CT   _C24    36     1.88390   102.65029   154.33280
   34    30 S   CO3  _C3_    29     1.52941   113.25401   -96.83003
   35    34 S   O2Z  _O31    30     1.26399   115.48221   -43.16290
   36    34 S   O2Z  _O32    31     1.26376   114.95985   137.82402
   37    33 S   CM   _C23    37     1.50865   107.46775    52.60076
   38    37 S   HC   _H23    38     1.09150   116.09833    52.70150
   39    33 S   CT   _C25   101     1.54290   103.21100   167.75189
   40    39 S   HC   _H24   102     1.09618   112.44068    59.19128
   41    39 S   HC   _H25   103     1.09843   111.64550   -61.06236
   42    39 S   HC   _H26   104     1.09160   112.70869   179.95577
   43    37 S   CMA  _C22    39     1.34901   126.34208  -125.32953
   44    43 S   OM   _O36    40     1.26403   128.33767   175.91112
   45    43 S   CT   _C21    41     1.54726   119.18307    -3.05531
   46    45 S   HC   _H10    42     1.10011   106.37859    98.93834
   47    45 S   CT   _C20    43     1.58687   115.87178   -21.59134
   48    45 S   OH   _O37    99     1.43118   110.56081  -146.53058
   49    48 S   HO   _H27   100     0.97388   106.42676   -29.36769
   50    33 S   CT   _C19    44     1.56466   109.70848   -70.12981
   51    50 S   HC   _H9_    45     1.09721   105.80600    43.28911
   52    47 S   CT   _C26    95     1.54899   108.58445   -70.81082
   53    52 S   HC   _H28    96     1.09084   112.66666   165.16810
   54    52 S   HC   _H29    97     1.09365   111.84847    44.60285
   55    52 S   HC   _H30    98     1.09085   113.18173   -72.94453
   56    50 S   CT   _C18    46     1.54086   113.74821   -72.14697
   57    56 S   HC   _H21    47     1.09316   111.50889   -72.33586
   58    56 S   HC   _H22    48     1.09664   109.76062    45.37140
   59    56 S   CT   _C17    49     1.52673   110.13719   163.90434
   60    59 S   HC   _H8_    50     1.09675   108.55030   179.89165
   61    59 S   CT   _C15    51     1.52080   112.96932    57.06492
   62    61 S   CT   _C16    52     1.53895   112.17600    70.32555
   63    62 S   HC   _H19    53     1.09122   113.97821   -36.28484
   64    62 S   HC   _H20    54     1.09518   113.15205    85.26007
   65    61 S   CT   _C10    63     1.57001   107.02554  -169.91615
   66    65 S   HC   _H4_    64     1.10203   107.39638   -57.65996
   67    62 S   OS   _O35    55     1.43827   106.49937  -154.78349
   68    65 S   CT   _C9_    65     1.53660   111.28585    58.17649
   69    68 S   HC   _H3_    66     1.09379   110.31807    81.09389
   70    67 S   CO   _C13    56     1.44530   108.13571     2.57245
   71    68 S   CO4  _C27    67     1.51285   115.32264   -40.62835
   72    71 S   O    _O39    68     1.23061   121.79306  -168.47386
   73    68 S   OS   _O34    70     1.44953   109.25998  -156.81772
   74    47 S   CT   _C14    57     1.61391   109.35703   165.57639
   75    74 S   HC   _H7_    58     1.09387   104.53092   -34.12210
   76    70 S   CT   _C12    59     1.55146   106.87442   -92.18179
   77    76 S   HC   _H6_    60     1.09828   108.20271   -62.56304
   78    59 S   OS   _O38    69     1.44791   104.91890   -66.89748
   79    73 S   CO4  _C8_    71     1.36823   118.23034  -148.56617
   80    79 S   O    _O33    72     1.22489   125.12667     9.18975
   81    70 S   OH   _O40    93     1.41384   110.86124   149.86796
   82    81 S   HO   _H31    94     0.97057   108.98405    87.87157
   83    76 S   CT   _C11    61     1.54222   112.83560    55.48626
   84    83 S   HC   _H5_    62     1.10009   105.58833   -76.15663
   85    79 S   CT   _C6_    73     1.53124   110.42814  -169.52901
   86    76 S   OH   _O41    91     1.42574   111.28583  -177.40278
   87    86 S   HO   _H32    92     0.96911   109.57772   -58.81722
   88    85 S   CT   _C7_    74     1.53157   109.55059    57.14493
   89    88 S   HC   _H16    75     1.09588   110.99470   172.42071
   90    88 S   HC   _H17    76     1.09639   110.74746    54.20104
   91    88 S   HC   _H18    77     1.09494   112.01871   -66.39462
   92    85 S   CT   _C5_    78     1.53765   111.83254   -66.37828
   93    92 S   HC   _H14    79     1.09608   110.43451    56.77896
   94    92 S   HC   _H15    80     1.09765   109.24933   173.93651
   95    85 S   OH   _O42    85     1.42649   107.44636   173.54038
   96    95 S   HO   _H36    86     0.97243   108.06110   179.17008
   97    83 S   CT   _C28    87     1.52713   111.77126   170.81862
   98    97 S   HC   _H33    88     1.09294   112.18228   -63.56177
   99    97 S   HC   _H34    89     1.09384   110.68366   174.47809
  100    97 S   HC   _H35    90     1.09578   110.35565    55.98511
  101    92 S   CT   _C4_    81     1.52520   113.79392   -66.38621
  102   101 S   HC   _H11    82     1.09449   111.26586   -63.00879
  103   101 S   HC   _H12    83     1.09479   109.94997   177.81573
  104   101 S   HC   _H13    84     1.09300   111.69643    58.05339
  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  12   4
   3   1   7   5  13   2   1   9   4   3   2   8   6   5   2   1
   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    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    97    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    97    98    99   100    86    67    70    74    75    76    77    83    84  
   68    69    71    73    97    74    76    83    84  
   70    74    75    76    77    83    86    81    82  
   69    71    72    78    73    79    80    85    97    74    76    83    84  
   71    72    78    73    79    83  
   74    75    76    77    83    84    97    86    87    81    82  
   72    78    73    79    83  
   78    73  
   79    80    85    88    92    95    78    83  
   75    76    77    83    78    86    81    82  
   76    81  
   77    83    84    97    98    99   100    86    87    81    82  
   83    84    97    86    87    81  
    0  
   80    85    88    89    90    91    92    93    94   101    95    96  
   85    88    92    95  
   82    83    86  
    0  
   84    97    98    99   100    86    87  
   97    98    99   100    86  
   88    89    90    91    92    93    94   101   102   103   104    95    96  
   87    97  
    0  
   89    90    91    92    93    94   101    95    96  
   90    91    92    95  
   91    92    95  
   92    95  
   93    94   101   102   103   104    95    96  
   94   101   102   103   104    95  
  101   102   103   104    95  
   96   101  
    0  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104  
  103   104  
  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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.5000   0.0660  -0.180000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
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    86   320.000  1.410
   83    84   340.000  1.090
   83    65   268.000  1.529
   83    97   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    88   268.000  1.529
   85    92   268.000  1.529
   85    95   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   95    96   553.000  0.945
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   86    87   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    86    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    97    58.35000  112.70000
   76    86    87    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    97    98    37.50000  110.70000
   83    97    99    37.50000  110.70000
   83    97   100    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    88    63.00000  111.10000
   79    85    92    63.00000  111.10000
   79    85    95    90.00000  109.61100
   85    79    80    80.00000  120.40000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    91    37.50000  110.70000
   85    92    93    37.50000  110.70000
   85    92    94    37.50000  110.70000
   85    92   101    58.35000  112.70000
   85    95    96    55.00000  108.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    85    88    58.35000  112.70000
   92   101   102    37.50000  110.70000
   92   101   103    37.50000  110.70000
   92   101   104    37.50000  110.70000
   94    92    93    33.00000  107.80000
  101    92    93    37.50000  110.70000
  101    92    94    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   95    85    88    50.00000  109.50000
   95    85    92    50.00000  109.50000
   97    83    84    37.50000  110.70000
   97    83    65    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
   86    76    77    35.00000  109.50000
   86    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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   73    79    85    95   0.30750  1.0 1.0
   73    79    85    95   1.13850 -1.0 2.0
   73    79    85    95   0.38850  1.0 3.0
   79    85    88    89  -0.11250  1.0 3.0
   79    85    88    90  -0.11250  1.0 3.0
   79    85    88    91  -0.11250  1.0 3.0
   79    85    92    93  -0.11250  1.0 3.0
   79    85    92    94  -0.11250  1.0 3.0
   79    85    92   101  -0.95700  1.0 1.0
   79    85    92   101  -0.18200 -1.0 2.0
   79    85    92   101   0.29450  1.0 3.0
   79    85    95    96   0.91850  1.0 1.0
   79    85    95    96   0.57950  1.0 3.0
   80    79    85    88   0.30150 -1.0 2.0
   80    79    85    92   0.30150 -1.0 2.0
   80    79    85    95   0.30150 -1.0 2.0
   85    92   101   102   0.15000  1.0 3.0
   85    92   101   103   0.15000  1.0 3.0
   85    92   101   104   0.15000  1.0 3.0
   88    85    92    93   0.15000  1.0 3.0
   88    85    92    94   0.15000  1.0 3.0
   88    85    92   101   0.56750  1.0 1.0
   88    85    92   101  -0.07550 -1.0 2.0
   88    85    92   101   0.20000  1.0 3.0
   88    85    95    96  -0.11600  1.0 1.0
   88    85    95    96  -0.09450 -1.0 2.0
   88    85    95    96   0.21250  1.0 3.0
   92    85    88    89   0.15000  1.0 3.0
   92    85    88    90   0.15000  1.0 3.0
   92    85    88    91   0.15000  1.0 3.0
   92    85    95    96  -0.11600  1.0 1.0
   92    85    95    96  -0.09450 -1.0 2.0
   92    85    95    96   0.21250  1.0 3.0
   93    92   101   102   0.15000  1.0 3.0
   93    92   101   103   0.15000  1.0 3.0
   93    92   101   104   0.15000  1.0 3.0
   94    92   101   102   0.15000  1.0 3.0
   94    92   101   103   0.15000  1.0 3.0
   94    92   101   104   0.15000  1.0 3.0
   95    85    88    89   0.23400  1.0 3.0
   95    85    88    90   0.23400  1.0 3.0
   95    85    88    91   0.23400  1.0 3.0
   95    85    92    93   0.23400  1.0 3.0
   95    85    92    94   0.23400  1.0 3.0
   95    85    92   101   0.86500  1.0 1.0
   95    85    92   101  -0.17500 -1.0 2.0
   95    85    92   101   0.20800  1.0 3.0
   97    83    65    61   0.56750  1.0 1.0
   97    83    65    61  -0.07550 -1.0 2.0
   97    83    65    61   0.20000  1.0 3.0
   97    83    65    66   0.15000  1.0 3.0
   97    83    65    68   0.56750  1.0 1.0
   97    83    65    68  -0.07550 -1.0 2.0
   97    83    65    68   0.20000  1.0 3.0
   86    76    83    84   0.23400  1.0 3.0
   86    76    83    65   0.86500  1.0 1.0
   86    76    83    65  -0.17500 -1.0 2.0
   86    76    83    65   0.20800  1.0 3.0
   86    76    83    97   0.86500  1.0 1.0
   86    76    83    97  -0.17500 -1.0 2.0
   86    76    83    97   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    86   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
    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    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
