* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    159    259     477
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02065    97.74115    25.91849
    3     1 S   H    _H1_     3     1.02101    35.41271   137.46916
    4     1 S   H    _H2_     4     1.02133    81.35592   -81.94029
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C10    36     1.83227    97.81176   161.82019
   34    33 S   HC   _H3_    37     1.09960   105.45929   -37.43649
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CA   _C5_    38     1.52085   110.53321    80.04256
   39    33 S   CT   _C11    52     1.51593   110.61798  -153.92741
   40    39 S   HC   _H14    53     1.09508   111.83957   -44.60168
   41    38 S   CA   _C4_    39     1.39440   119.99281  -115.41308
   42    41 S   HA   _H9_    40     1.08752   120.13455     0.00000
   43    39 S   CO4  _C12    54     1.50990   112.00789    78.82351
   44    43 S   O    _O36    55     1.21508   127.47043   -57.89781
   45    41 S   CA   _C9_    41     1.39528   120.01958   179.96044
   46    43 S   CA   _C13    56     1.43786   106.94266   122.00248
   47    45 S   CA   _C8_    42     1.39552   119.97251     0.07133
   48    45 S   OH   _O33    50     1.36197   119.41161  -179.96574
   49    48 S   HO   _H11    51     0.96992   110.23709     0.00000
   50    46 S   CA   _C18    57     1.37884   105.82499    -1.73449
   51    47 S   CA   _C7_    43     1.39533   120.00469    -0.05234
   52    47 S   OH   _O34    48     1.36346   119.96756   179.98022
   53    52 S   HO   _H12    49     0.96992   110.09130   179.96574
   54    50 S   CA   _C17    58     1.38152   120.49219  -179.67857
   55    54 S   HA   _H16    59     1.08431   121.11658   179.78878
   56    39 S   OS   _O37    89     1.45007   109.43422  -164.36246
   57    38 S   CA   _C6_    44     1.39552   119.99940    64.62186
   58    57 S   HA   _H10    45     1.08713   120.10270    -0.02798
   59    51 S   OH   _O35    46     1.36194   120.57627  -180.00000
   60    59 S   HO   _H13    47     0.97046   110.19449   179.97202
   61    54 S   CA   _C16    60     1.39912   117.93772    -0.07133
   62    61 S   CA   _C15    61     1.40734   120.82759     0.01978
   63    62 S   HA   _H15    62     1.08813   119.57156   179.90309
   64    61 S   OS   _O38    66     1.36836   119.65914  -179.94405
   65    46 S   CA   _C14    63     1.37938   130.97018   178.61888
   66    64 S   CO   _C19    67     1.42692   116.53462   -60.05045
   67    66 S   HC   _H4_    68     1.09736   107.45624    60.00510
   68    65 S   OH   _O44    64     1.35401   122.31047    -0.31027
   69    68 S   HO   _H23    65     0.97339   110.65985     0.02798
   70    66 S   CT   _C20    69     1.52906   107.81441   179.62051
   71    70 S   HC   _H5_    70     1.09710   110.64341    51.37052
   72    70 S   CT   _C21    71     1.52898   111.34706   173.93757
   73    72 S   HC   _H6_    72     1.09663   110.90308    74.82756
   74    70 S   OH   _O43    87     1.42716   109.49889   -66.31042
   75    74 S   HO   _H22    88     0.96836   106.45052   -61.58282
   76    72 S   CT   _C22    73     1.52886   111.19709   -48.60412
   77    76 S   HC   _H7_    74     1.09756   108.92679   -72.59679
   78    72 S   OH   _O42    85     1.42873   109.14992  -168.27642
   79    78 S   HO   _H21    86     0.96865   106.35230    61.35303
   80    76 S   CT   _C23    75     1.53091   110.78915    49.57331
   81    80 S   HC   _H8_    76     1.09856   110.47803    64.75778
   82    76 S   OH   _O41    83     1.42509   108.02395   170.63857
   83    82 S   HO   _H20    84     0.96958   106.59732   -60.00612
   84    66 S   OS   _O39    77     1.42566   109.87370   -59.91385
   85    80 S   CT   _C24    78     1.52442   112.24365  -175.12428
   86    85 S   HC   _H17    79     1.09004   109.95516    60.03131
   87    85 S   HC   _H18    80     1.08987   109.99154   -60.93080
   88    85 S   OH   _O40    81     1.41599   108.59752   179.53186
   89    88 S   HO   _H19    82     0.97179   107.12370   179.98022
  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   9   5   4   3
  15   7   2   1   1  13  10   5   9   4   8   4   8  10   9   3
   1   8   6   3   1   8   4   2   3   1   1   1   9   6   3   9
   2  13   6   1   1  12   7  13   7   4   1  12   7   3   1   9
   6   3   1   4   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    39    40    43    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    57    58    39    40    43    44    46    50    56  
   38    41    57    39    40    43    56  
   36    37  
   37  
    0  
   41    42    45    47    51    57    58    59    48    39    40    43    56  
   40    43    44    46    50    54    65    56    41    57  
   43    44    46    50    56  
   42    45    47    51    57    58    52    48    49  
   45    47    57    48  
   44    46    50    54    62    65    68    56  
   46    50    65    56  
   47    51    57    59    52    53    48    49  
   50    54    55    61    62    63    65    68    69    56  
   51    57    58    59    60    52    53    48    49  
   49    51    52  
    0  
   54    55    61    62    65    68    64    56  
   57    58    59    60    52    53  
   53    57    59  
    0  
   55    61    62    63    65    64    66    56  
   61    62    64    56  
   61    65  
   58    59    60  
   59  
   60  
    0  
   62    63    65    68    64    66    67    70    84  
   63    65    68    69    64    66  
   65    68    64  
   66    67    70    71    72    80    84    74    65  
   68    69  
   67    70    71    72    73    76    80    81    84    85    78    74    75  
   70    71    72    80    84    74  
   69  
    0  
   71    72    73    76    77    80    84    82    78    79    74    75  
   72    73    76    84    78    74    75  
   73    76    77    80    81    84    85    82    83    78    79    74    75  
   76    77    80    82    78    79    74  
   75    76    78    84  
    0  
   77    80    81    84    85    86    87    88    82    83    78    79  
   80    81    84    85    82    83    78  
   79    80    82  
    0  
   81    84    85    86    87    88    89    82    83  
   84    85    86    87    88    82  
   83    84    85  
    0  
   85    86    87    88  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    48   450.000  1.364
   47    51   469.000  1.400
   47    52   450.000  1.364
   51    57   469.000  1.400
   51    59   450.000  1.364
   57    58   367.000  1.080
   59    60   553.000  0.945
   52    53   553.000  0.945
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    56   320.000  1.410
   43    44   570.000  1.229
   43    46   310.000  1.470
   46    50   469.000  1.400
   46    65   469.000  1.400
   50    54   469.000  1.400
   50    56   450.000  1.364
   54    55   367.000  1.080
   54    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    68   450.000  1.364
   68    69   553.000  0.945
   64    66   320.000  1.380
   66    67   340.000  1.090
   66    70   250.000  1.527
   66    84   320.000  1.380
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   320.000  1.410
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   320.000  1.410
   76    77   340.000  1.090
   76    80   268.000  1.529
   76    82   320.000  1.410
   80    81   340.000  1.090
   80    84   320.000  1.410
   80    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   320.000  1.410
   88    89   553.000  0.945
   82    83   553.000  0.945
   78    79   553.000  0.945
   74    75   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    63.00000  111.10000
   33    39    56    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    51    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    45    47    63.00000  120.00000
   41    45    48    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    51    63.00000  120.00000
   45    47    52    70.00000  120.00000
   45    48    49    35.00000  113.00000
   47    51    57    63.00000  120.00000
   47    51    59    70.00000  120.00000
   47    52    53    35.00000  113.00000
   51    57    58    35.00000  120.00000
   51    59    60    35.00000  113.00000
   57    38    41    63.00000  120.00000
   59    51    57    70.00000  120.00000
   52    47    51    70.00000  120.00000
   48    45    47    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    46    65.00000  115.47100
   39    56    50    75.00000  111.00000
   43    39    40    35.00000  109.50000
   43    46    50    60.00000  119.52600
   43    46    65    60.00000  119.52600
   46    43    44    75.00000  123.78400
   46    50    54    63.00000  120.00000
   46    50    56    70.00000  120.00000
   46    65    62    63.00000  120.00000
   46    65    68    70.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    61    63.00000  120.00000
   54    61    62    63.00000  120.00000
   54    61    64    70.00000  120.00000
   61    54    55    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    65    63.00000  120.00000
   61    64    66   100.00000  112.36700
   62    65    68    70.00000  120.00000
   65    46    50    63.00000  120.00000
   65    62    63    35.00000  120.00000
   65    68    69    35.00000  113.00000
   64    61    62    70.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    70    90.00000  108.56700
   64    66    84    92.60000  111.55000
   66    70    71    45.00000  108.72000
   66    70    72    75.00000  109.43000
   66    70    74    90.00000  111.58700
   66    84    80    60.00000  109.50000
   70    66    67    45.00000  112.01100
   70    72    73    37.50000  110.70000
   70    72    76    58.35000  112.70000
   70    72    78    50.00000  109.50000
   70    74    75    55.00000  108.50000
   72    70    71    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    58.35000  112.70000
   72    76    82    50.00000  109.50000
   72    78    79    55.00000  108.50000
   76    72    73    37.50000  110.70000
   76    80    81    37.50000  110.70000
   76    80    84    50.00000  109.50000
   76    80    85    58.35000  112.70000
   76    82    83    55.00000  108.50000
   80    76    77    37.50000  110.70000
   80    85    86    37.50000  110.70000
   80    85    87    37.50000  110.70000
   80    85    88    50.00000  109.50000
   84    66    67    35.00000  109.50000
   84    66    70    90.00000  108.56700
   84    80    81    35.00000  109.50000
   85    80    81    37.50000  110.70000
   85    80    84    50.00000  109.50000
   85    88    89    55.00000  108.50000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   82    76    77    35.00000  109.50000
   82    76    80    50.00000  109.50000
   78    72    73    35.00000  109.50000
   78    72    76    50.00000  109.50000
   74    70    71    35.00000  109.50000
   74    70    72    50.00000  109.50000
   56    39    40    35.00000  109.50000
   56    39    43    90.00000  108.74100
   56    50    54    70.00000  120.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    56   0.56750  1.0 1.0
   29    33    39    56  -0.07550 -1.0 2.0
   29    33    39    56   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    57    51   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    46   0.05850 -1.0 2.0
   33    39    43    46   0.17250  1.0 3.0
   33    39    56    50  -0.32850  1.0 1.0
   33    39    56    50  -0.35800 -1.0 2.0
   33    39    56    50   0.33950  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   34    33    39    56   0.23400  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    56  -0.64350  1.0 1.0
   38    33    39    56  -0.04200 -1.0 2.0
   38    33    39    56   0.19800  1.0 3.0
   38    41    45    47   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    57    51   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    45   -47    51   3.62500 -1.0 2.0
   41    45    47    52   3.62500 -1.0 2.0
   41    45    48    49   0.84100 -1.0 2.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    47    51    57   3.62500 -1.0 2.0
   45    47    51    59   3.62500 -1.0 2.0
   45    47    52    53   0.84100 -1.0 2.0
   47    45    48    49   0.84100 -1.0 2.0
   47    51   -57    38   3.62500 -1.0 2.0
   47    51    57    58   3.62500 -1.0 2.0
   47    51    59    60   0.84100 -1.0 2.0
   51    47    52    53   0.84100 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   57    51    59    60   0.84100 -1.0 2.0
   59    51    57    38   3.62500 -1.0 2.0
   59    51    57    58   3.62500 -1.0 2.0
   52    47    51    57   3.62500 -1.0 2.0
   52    47    51    59   3.62500 -1.0 2.0
   48    45    47    51   3.62500 -1.0 2.0
   48    45    47    52   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   39    43   -46    50   2.26350  1.0 1.0
   39    43   -46    50   0.76750 -1.0 2.0
   39    43   -46    50   0.22500  1.0 3.0
   39    43    46    65   2.26350  1.0 1.0
   39    43    46    65   0.76750 -1.0 2.0
   39    43    46    65   0.22500  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    46   0.00000  1.0 1.0
   40    39    56    50   0.08050  1.0 3.0
   43    39   -56    50  -0.25600  1.0 1.0
   43    39   -56    50  -0.40050 -1.0 2.0
   43    39   -56    50   0.34700  1.0 3.0
   43    46    50    54   3.62500 -1.0 2.0
   43    46   -50    56   3.62500 -1.0 2.0
   43    46    65    62   3.62500 -1.0 2.0
   43    46    65    68   3.62500 -1.0 2.0
   44    43    46    50   1.05000 -1.0 2.0
   44    43    46    65   1.05000 -1.0 2.0
   46    50    54    55   3.62500 -1.0 2.0
   46    50    54    61   3.62500 -1.0 2.0
   46    50   -56    39   1.63200 -1.0 2.0
   46    65    68    69   0.84100 -1.0 2.0
   50    46    65    62   3.62500 -1.0 2.0
   50    46    65    68   3.62500 -1.0 2.0
   50    54   -61    62   3.62500 -1.0 2.0
   50    54    61    64   3.62500 -1.0 2.0
   54    50    56    39   1.63200 -1.0 2.0
   54    61    62    63   3.62500 -1.0 2.0
   54    61    62    65   3.62500 -1.0 2.0
   54    61    64    66   1.63200 -1.0 2.0
   55    54    61    62   3.62500 -1.0 2.0
   55    54    61    64   3.62500 -1.0 2.0
   61    62   -65    46   3.62500 -1.0 2.0
   61    62    65    68   3.62500 -1.0 2.0
   61    64    66    67   0.08050  1.0 3.0
   61    64    66    70  -0.32850  1.0 1.0
   61    64    66    70  -0.35800 -1.0 2.0
   61    64    66    70   0.33950  1.0 3.0
   61    64    66    84  -0.25600  1.0 1.0
   61    64    66    84  -0.40050 -1.0 2.0
   61    64    66    84   0.34700  1.0 3.0
   62    61    64    66   1.63200 -1.0 2.0
   62    65    68    69   0.84100 -1.0 2.0
   63    62    65    46   3.62500 -1.0 2.0
   63    62    65    68   3.62500 -1.0 2.0
   65    46   -50    54   3.62500 -1.0 2.0
   65    46    50    56   3.62500 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    65   3.62500 -1.0 2.0
   64    66    70    71   0.23400  1.0 3.0
   64    66    70    72   0.62750  1.0 1.0
   64    66    70    72  -0.30950 -1.0 2.0
   64    66    70    72   0.27300  1.0 3.0
   64    66    70    74   3.69350  1.0 1.0
   64    66    70    74  -1.82950 -1.0 2.0
   64    66    84    80  -0.81800  1.0 1.0
   66    70    72    73   0.15000  1.0 3.0
   66    70    72    76   3.97050  1.0 1.0
   66    70    72    78   0.86500  1.0 1.0
   66    70    72    78  -0.17500 -1.0 2.0
   66    70    72    78   0.20800  1.0 3.0
   66    70    74    75  -0.11600  1.0 1.0
   66    70    74    75  -0.09450 -1.0 2.0
   66    70    74    75   0.21250  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    74   0.23400  1.0 3.0
   67    66    84    80   0.37050  1.0 3.0
   70    66    84    80   0.06250  1.0 1.0
   70    66    84    80  -0.01100 -1.0 2.0
   70    66    84    80   0.28050  1.0 3.0
   70    72    76    77   0.15000  1.0 3.0
   70    72   -76    80   0.56750  1.0 1.0
   70    72   -76    80  -0.07550 -1.0 2.0
   70    72   -76    80   0.20000  1.0 3.0
   70    72    76    82   0.86500  1.0 1.0
   70    72    76    82  -0.17500 -1.0 2.0
   70    72    76    82   0.20800  1.0 3.0
   70    72    78    79  -0.11600  1.0 1.0
   70    72    78    79  -0.09450 -1.0 2.0
   70    72    78    79   0.21250  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    76   0.15000  1.0 3.0
   71    70    72    78   0.23400  1.0 3.0
   71    70    74    75   0.19450  1.0 3.0
   72    70    74    75  -0.11600  1.0 1.0
   72    70    74    75  -0.09450 -1.0 2.0
   72    70    74    75   0.21250  1.0 3.0
   72    76    80    81   0.15000  1.0 3.0
   72    76    80    84   0.62750  1.0 1.0
   72    76    80    84  -0.30950 -1.0 2.0
   72    76    80    84   0.27300  1.0 3.0
   72    76    80    85   0.56750  1.0 1.0
   72    76    80    85  -0.07550 -1.0 2.0
   72    76    80    85   0.20000  1.0 3.0
   72    76    82    83  -0.11600  1.0 1.0
   72    76    82    83  -0.09450 -1.0 2.0
   72    76    82    83   0.21250  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.15000  1.0 3.0
   73    72    76    82   0.23400  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79  -0.11600  1.0 1.0
   76    72    78    79  -0.09450 -1.0 2.0
   76    72    78    79   0.21250  1.0 3.0
   76    80   -84    66   0.06250  1.0 1.0
   76    80   -84    66  -0.01100 -1.0 2.0
   76    80   -84    66   0.28050  1.0 3.0
   76    80    85    86   0.15000  1.0 3.0
   76    80    85    87   0.15000  1.0 3.0
   76    80    85    88   0.86500  1.0 1.0
   76    80    85    88  -0.17500 -1.0 2.0
   76    80    85    88   0.20800  1.0 3.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    84   0.23400  1.0 3.0
   77    76    80    85   0.15000  1.0 3.0
   77    76    82    83   0.19450  1.0 3.0
   80    76    82    83  -0.11600  1.0 1.0
   80    76    82    83  -0.09450 -1.0 2.0
   80    76    82    83   0.21250  1.0 3.0
   80    85    88    89  -0.11600  1.0 1.0
   80    85    88    89  -0.09450 -1.0 2.0
   80    85    88    89   0.21250  1.0 3.0
   81    80    84    66   0.37050  1.0 3.0
   81    80    85    86   0.15000  1.0 3.0
   81    80    85    87   0.15000  1.0 3.0
   81    80    85    88   0.23400  1.0 3.0
   84    66    70    71   0.23400  1.0 3.0
   84    66   -70    72   0.62750  1.0 1.0
   84    66   -70    72  -0.30950 -1.0 2.0
   84    66   -70    72   0.27300  1.0 3.0
   84    66    70    74   3.69350  1.0 1.0
   84    66    70    74  -1.82950 -1.0 2.0
   84    80    85    86   0.23400  1.0 3.0
   84    80    85    87   0.23400  1.0 3.0
   84    80    85    88   3.69350  1.0 1.0
   84    80    85    88  -1.82950 -1.0 2.0
   85    80    84    66   0.06250  1.0 1.0
   85    80    84    66  -0.01100 -1.0 2.0
   85    80    84    66   0.28050  1.0 3.0
   86    85    88    89   0.19450  1.0 3.0
   87    85    88    89   0.19450  1.0 3.0
   82    76    80    81   0.23400  1.0 3.0
   82    76    80    84   3.69350  1.0 1.0
   82    76    80    84  -1.82950 -1.0 2.0
   82    76    80    85   0.86500  1.0 1.0
   82    76    80    85  -0.17500 -1.0 2.0
   82    76    80    85   0.20800  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   0.86500  1.0 1.0
   78    72    76    80  -0.17500 -1.0 2.0
   78    72    76    80   0.20800  1.0 3.0
   78    72    76    82   3.75450  1.0 1.0
   74    70    72    73   0.23400  1.0 3.0
   74    70    72    76   0.86500  1.0 1.0
   74    70    72    76  -0.17500 -1.0 2.0
   74    70    72    76   0.20800  1.0 3.0
   74    70    72    78   3.75450  1.0 1.0
   56    39    43    44   0.30150 -1.0 2.0
   56    39   -43    46   0.65300  1.0 1.0
   56    39   -43    46  -0.03850 -1.0 2.0
   56    39   -43    46   0.33900  1.0 3.0
   56    50    54    55   3.62500 -1.0 2.0
   56    50    54    61   3.62500 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   41    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    48    45    41   4.00000 -1.0 2.0
   51    52    47    45   4.00000 -1.0 2.0
   57    59    51    47   4.00000 -1.0 2.0
   51    58    57    38   1.10000 -1.0 2.0
   39    46    43    44  10.50000 -1.0 2.0
   50    65    46    43   4.00000 -1.0 2.0
   54    56    50    46   4.00000 -1.0 2.0
   61    55    54    50   1.10000 -1.0 2.0
   62    64    61    54   4.00000 -1.0 2.0
   65    63    62    61   1.10000 -1.0 2.0
   62    68    65    46   4.00000 -1.0 2.0
END
