* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    163    266     475
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02119    97.03709   -56.12011
    3     1 S   H    _H1_     3     1.02138    82.40658    51.87257
    4     1 S   H    _H2_     4     1.02097    34.84960  -168.87463
    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     1.08611   110.43906    58.89593
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97283
   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   CO   _C18    36     1.86663   100.91589   159.96408
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C11    37     1.56753   109.86548    60.04427
   38    37 S   HC   _H6_    38     1.09976   107.39269   -58.75262
   39    33 S   OH   _O35    76     1.43135   109.25710   -57.59845
   40    39 S   HO   _H16    77     0.97213   106.67919   179.14774
   41    33 S   OS   _O36    78     1.44855   110.09486   176.20527
   42    37 S   CA   _C12    39     1.53118   111.96846  -174.63451
   43    37 S   C    _C10    50     1.53849   114.52012    59.27145
   44    43 S   O    _O34    51     1.22939   123.31496    31.44917
   45    41 S   CA   _C19    79     1.36593   120.15932    91.31830
   46    42 S   CA   _C13    40     1.39452   120.00310    81.48598
   47    46 S   HA   _H11    41     1.08712   120.55607    -0.00000
   48    43 S   N    _N5_    52     1.39738   112.95920  -149.83400
   49    48 S   H    _H10    53     1.02418   117.26289     1.06128
   50    45 S   CA   _C20    80     1.39443   120.04877    90.01870
   51    50 S   HA   _H17    81     1.08687   120.32181    -0.02798
   52    46 S   CA   _C14    42     1.39538   120.00375  -179.98022
   53    52 S   HA   _H12    43     1.08528   119.99850   179.92338
   54    48 S   C4T  _C8_    54     1.45996   122.92237  -178.71078
   55    54 S   HC   _H5_    55     1.09556   110.70002    59.99098
   56    50 S   CA   _C21    82     1.39511   120.03818   179.91153
   57    56 S   HA   _H18    83     1.08585   119.95991   179.97202
   58    52 S   CA   _C15    44     1.39472   119.95946     0.02798
   59    58 S   HA   _H13    45     1.08667   119.95815   179.95577
   60    54 S   C4   _C9_    56     1.54207   114.46607   -67.99552
   61    60 S   O    _O33    57     1.21006   135.82628    53.78345
   62    54 S   C4T  _C7_    63     1.53515   118.07655  -166.80970
   63    62 S   HC   _H4_    64     1.09351   116.02778  -129.85939
   64    56 S   CA   _C22    84     1.39407   119.97115    -0.03426
   65    64 S   HA   _H19    85     1.08608   120.01816  -179.98022
   66    58 S   CA   _C16    46     1.39452   120.03679    -0.01978
   67    66 S   HA   _H14    47     1.08618   120.04305   180.00000
   68    60 S   N4   _N4_    58     1.36557    91.03823  -119.25889
   69    64 S   CA   _C23    86     1.39508   120.04171     0.03426
   70    69 S   HA   _H20    87     1.08599   120.00902   180.00000
   71    42 S   CA   _C17    48     1.39438   119.97809   -98.53130
   72    71 S   HA   _H15    49     1.08698   120.50909     0.03956
   73    68 S   CT1  _C6_    59     1.44860   125.18564   131.83912
   74    73 S   HC   _H3_    60     1.07957   107.48261    -9.23093
   75    45 S   CA   _C24    88     1.39547   119.96298   -90.08415
   76    75 S   HA   _H21    89     1.08586   120.34222    -0.08393
   77    73 S   CT   _C5_    61     1.54374   107.49968  -129.72297
   78    73 S   CO3  _C25    73     1.49581   107.19139   105.73035
   79    78 S   O2Z  _O38    74     1.26168   115.27054    64.82911
   80    78 S   O2Z  _O37    75     1.26311   114.76600  -115.12912
   81    77 S   S    _S1_    62     1.86245   103.66376    30.49865
   82    77 S   CT   _C4_    65     1.53538   114.47814   -86.77290
   83    82 S   HC   _H7_    66     1.08619   109.43030   179.97202
   84    82 S   HC   _H8_    67     1.08623   109.42840    59.99207
   85    82 S   HC   _H9_    68     1.08568   109.40589   -59.99570
   86    77 S   CT   _C26    69     1.52966   111.39468   147.58193
   87    86 S   HC   _H22    70     1.08840   109.66596   179.96044
   88    86 S   HC   _H23    71     1.08769   109.68948    59.98835
   89    86 S   HC   _H24    72     1.08739   109.66178   -60.04233
  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
  14   2   1   1  17   8   5   1   9  12   9   3   9   8   4   9
   4   8   4   6   3   9   6   6   3   5   3   9   3   9   4   5
   3   3   2   9   3   2   1   1  14   7   1   1  12   5   1   1
   8   7   3   2   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    43    39    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    46    71    43    44    48    39    40    41    45    50    75  
   35    36  
   36  
    0  
   38    42    46    47    52    66    71    72    43    44    48    49    54    39    40    41    45  
   42    46    71    43    44    48    39    41  
   40    41    45    42    43  
   41  
   45    50    51    56    69    75    76    42    43  
   46    47    52    53    58    66    67    71    72    43    44    48  
   44    48    49    54    55    60    62    46    71  
   48    49    54  
   50    51    56    57    64    69    70    75    76  
   47    52    53    58    59    66    71    72  
   52    53    58    71  
   49    54    55    60    61    68    81    62    63  
   54    55    60    62  
   51    56    57    64    65    69    75    76  
   56    57    64    75  
   53    58    59    66    67    71  
   58    59    66  
   55    60    61    68    73    77    81    62    63  
   60    61    68    81    62    63  
   57    64    65    69    70    75  
   64    65    69  
   59    66    67    71    72  
   66    67    71  
   61    68    73    74    77    81    62    63    78  
   68    73    62  
   63    82    86    78    68    73    74    77    81  
   68    73    77    81  
   65    69    70    75    76  
   69    70    75  
   67    71    72  
   71    72  
   73    74    77    81    82    86    78    79    80  
   70    75    76  
   75    76  
   72  
    0  
   74    77    81    82    83    84    85    86    87    88    89    78    79    80  
   77    81    82    86    78    79    80  
   76  
    0  
   81    82    83    84    85    86    87    88    89    78    79    80  
   79    80    81    82    86  
   80  
    0  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   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  -0.175000   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   0.372200   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   78   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   250.000  1.527
   33    39   380.000  1.407
   33    41   320.000  1.380
   37    38   340.000  1.090
   37    42   317.000  1.510
   37    43   317.000  1.522
   42    46   469.000  1.400
   42    71   469.000  1.400
   46    47   367.000  1.080
   46    52   469.000  1.400
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    59   367.000  1.080
   58    66   469.000  1.400
   66    67   367.000  1.080
   66    71   469.000  1.400
   71    72   367.000  1.080
   43    44   570.000  1.229
   43    48   490.000  1.335
   48    49   434.000  1.010
   48    54   337.000  1.449
   54    55   340.000  1.090
   54    60   250.000  1.540
   54    62   268.000  1.529
   60    61   930.000  1.212
   60    68   440.000  1.369
   68    73   337.000  1.449
   68    62   305.000  1.456
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    78   317.000  1.522
   77    81   222.000  1.810
   77    82   268.000  1.529
   77    86   268.000  1.529
   81    62   200.000  1.824
   62    63   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   78    79   656.000  1.250
   78    80   656.000  1.250
   39    40   553.000  0.945
   41    45   450.000  1.364
   45    50   469.000  1.400
   45    75   469.000  1.400
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   367.000  1.080
   56    64   469.000  1.400
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   367.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    39    85.00000  114.68000
   29    33    41    85.00000  114.68000
   33    37    38    45.00000  108.72000
   33    37    42    70.00000  112.17500
   33    37    43    63.00000  111.10000
   33    39    40    70.00000  107.92000
   33    41    45   100.00000  112.36700
   37    42    46    70.00000  120.00000
   37    42    71    70.00000  120.00000
   37    43    44    80.00000  120.40000
   37    43    48    70.00000  116.60000
   42    37    38    35.00000  109.50000
   42    46    47    35.00000  120.00000
   42    46    52    63.00000  120.00000
   42    71    66    63.00000  120.00000
   42    71    72    35.00000  120.00000
   46    52    53    35.00000  120.00000
   46    52    58    63.00000  120.00000
   52    46    47    35.00000  120.00000
   52    58    59    35.00000  120.00000
   52    58    66    63.00000  120.00000
   58    52    53    35.00000  120.00000
   58    66    67    35.00000  120.00000
   58    66    71    63.00000  120.00000
   66    58    59    35.00000  120.00000
   66    71    72    35.00000  120.00000
   71    42    46    63.00000  120.00000
   71    66    67    35.00000  120.00000
   43    37    38    35.00000  109.50000
   43    37    42    70.00000  109.44300
   43    48    49    35.00000  119.80000
   43    48    54    50.00000  121.90000
   48    43    44    80.00000  122.90000
   48    54    55    50.00000  112.01000
   48    54    60    75.00000  110.24000
   48    54    62    80.00000  110.05700
   54    48    49    38.00000  118.40000
   54    60    61    60.00000  136.58000
   54    60    68    95.00000   92.72400
   54    62    68   105.00000   87.49700
   54    62    81    65.00000  119.05700
   54    62    63    37.50000  110.70000
   60    54    55    40.00000  113.37500
   60    68    73    50.00000  132.10000
   60    68    62   100.00000   93.00000
   68    60    61    75.00000  131.60000
   68    73    74    35.00000  109.50000
   68    73    77    80.00000  109.70000
   68    73    78    63.00000  110.10000
   68    62    81    80.00000  108.62000
   68    62    63    50.00000  112.01000
   73    77    81    75.00000  108.68000
   73    77    82    58.35000  112.70000
   73    77    86    58.35000  112.70000
   73    78    79    70.00000  117.00000
   73    78    80    70.00000  117.00000
   77    73    74    37.50000  110.70000
   77    81    62    85.00000   99.86700
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    37.50000  110.70000
   77    86    87    37.50000  110.70000
   77    86    88    37.50000  110.70000
   77    86    89    37.50000  110.70000
   81    62    63    45.00000  109.41400
   62    54    55    37.50000  110.70000
   62    54    60   100.00000   86.36000
   62    68    73    50.00000  132.70000
   82    77    81    75.00000  111.63000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    77    81    75.00000  111.63000
   86    77    82    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   78    73    74    35.00000  109.50000
   78    73    77    63.00000  111.10000
   80    78    79    80.00000  126.00000
   39    33    37    90.00000  110.19100
   41    33    37    90.00000  108.56700
   41    33    39   110.00000  112.08000
   41    45    50    70.00000  120.00000
   41    45    75    70.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    56    63.00000  120.00000
   45    75    69    63.00000  120.00000
   45    75    76    35.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    64    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    64    65    35.00000  120.00000
   56    64    69    63.00000  120.00000
   64    56    57    35.00000  120.00000
   64    69    70    35.00000  120.00000
   64    69    75    63.00000  120.00000
   69    64    65    35.00000  120.00000
   69    75    76    35.00000  120.00000
   75    45    50    63.00000  120.00000
   75    69    70    35.00000  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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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    37    38   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   29    33    41    45   0.14700  1.0 1.0
   29    33    41    45  -1.16150 -1.0 2.0
   29    33    41    45   0.48700  1.0 3.0
   33    37    42    46   0.04150 -1.0 2.0
   33    37    42    71   0.04150 -1.0 2.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    48   1.39750  1.0 1.0
   33    37    43    48  -0.07950 -1.0 2.0
   33    37    43    48  -0.18750  1.0 3.0
   33    41    45    50   1.63200 -1.0 2.0
   33    41    45    75   1.63200 -1.0 2.0
   37    33    39    40  -0.11600  1.0 1.0
   37    33    39    40  -0.09450 -1.0 2.0
   37    33    39    40   0.21250  1.0 3.0
   37    33    41    45  -0.32850  1.0 1.0
   37    33    41    45  -0.35800 -1.0 2.0
   37    33    41    45   0.33950  1.0 3.0
   37    42    46    47   3.62500 -1.0 2.0
   37    42    46    52   3.62500 -1.0 2.0
   37    42    71    66   3.62500 -1.0 2.0
   37    42    71    72   3.62500 -1.0 2.0
   37    43    48    49   2.45000 -1.0 2.0
   37    43    48    54   1.49850  1.0 1.0
   37    43    48    54   1.53950 -1.0 2.0
   38    37    42    46   0.00000  1.0 1.0
   38    37    42    71   0.00000  1.0 1.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    48   0.00000  1.0 1.0
   42    37    43    44   0.30150 -1.0 2.0
   42    37    43    48   0.00000  1.0 1.0
   42    46    52    53   3.62500 -1.0 2.0
   42    46    52    58   3.62500 -1.0 2.0
   46    42    71    66   3.62500 -1.0 2.0
   46    42    71    72   3.62500 -1.0 2.0
   46    52    58    59   3.62500 -1.0 2.0
   46    52   -58    66   3.62500 -1.0 2.0
   47    46    52    53   3.62500 -1.0 2.0
   47    46    52    58   3.62500 -1.0 2.0
   52    58    66    67   3.62500 -1.0 2.0
   52    58    66    71   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   53    52    58    66   3.62500 -1.0 2.0
   58    66   -71    42   3.62500 -1.0 2.0
   58    66    71    72   3.62500 -1.0 2.0
   59    58    66    67   3.62500 -1.0 2.0
   59    58    66    71   3.62500 -1.0 2.0
   67    66    71    42   3.62500 -1.0 2.0
   67    66    71    72   3.62500 -1.0 2.0
   71    42    46    47   3.62500 -1.0 2.0
   71    42   -46    52   3.62500 -1.0 2.0
   43    37    42    46   0.04300 -1.0 2.0
   43    37    42    71   0.04300 -1.0 2.0
   43    48    54    55   0.00000  1.0 1.0
   43    48    54    60  -0.42300  1.0 1.0
   43    48    54    60  -0.07000 -1.0 2.0
   43    48    54    60   0.04150  1.0 3.0
   43    48    54    62  -0.43950  1.0 1.0
   43    48    54    62  -0.08100 -1.0 2.0
   43    48    54    62   0.03350  1.0 3.0
   44    43    48    49   2.45000 -1.0 2.0
   44    43    48    54   3.04450 -1.0 2.0
   48    54    60    61   0.30150 -1.0 2.0
   48    54    60    68   0.00000  1.0 1.0
   48    54   -62    68   2.20050  1.0 1.0
   48    54   -62    68   0.63450 -1.0 2.0
   48    54   -62    68  -0.91300  1.0 3.0
   48    54    62    81   0.00000  1.0 1.0
   48    54    62    63   0.15000  1.0 3.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    60   0.00000  1.0 1.0
   49    48    54    62   0.00000  1.0 1.0
   54    60    68    73   3.00000 -1.0 2.0
   54    60   -68    62   3.00000 -1.0 2.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    68   0.00000  1.0 1.0
   55    54   -62    68   0.15000  1.0 3.0
   55    54    62    81   0.00000  1.0 1.0
   55    54    62    63   0.15000  1.0 3.0
   60    54   -62    68   3.00000 -1.0 2.0
   60    54    62    81   0.00000  1.0 1.0
   60    54    62    63   0.15000  1.0 3.0
   60    68    73    74   0.00000  1.0 1.0
   60    68    73    77   0.00000  1.0 1.0
   60    68    73    78   0.00000  1.0 1.0
   60    68   -62    54   0.00000  1.0 1.0
   60    68   -62    81   0.00000  1.0 1.0
   60    68   -62    63   0.00000  1.0 1.0
   61    60    68    73   3.00000 -1.0 2.0
   61    60    68    62   3.00000 -1.0 2.0
   68    73   -77    81   0.71400  1.0 1.0
   68    73   -77    81   0.04300 -1.0 2.0
   68    73   -77    81   0.01450  1.0 3.0
   68    73    77    82   0.42250  1.0 1.0
   68    73    77    82  -0.48100 -1.0 2.0
   68    73    77    82   0.35650  1.0 3.0
   68    73    77    86   0.42250  1.0 1.0
   68    73    77    86  -0.48100 -1.0 2.0
   68    73    77    86   0.35650  1.0 3.0
   68    73    78    79   0.00000  1.0 1.0
   68    73    78    80   0.00000  1.0 1.0
   73    68   -62    54   0.00000  1.0 1.0
   73    68   -62    81   0.00000  1.0 1.0
   73    68    62    63   0.00000  1.0 1.0
   73    77   -81    62  -0.25000 -1.0 2.0
   73    77   -81    62  -0.01800  1.0 3.0
   73    77    82    83   0.15000  1.0 3.0
   73    77    82    84   0.15000  1.0 3.0
   73    77    82    85   0.15000  1.0 3.0
   73    77    86    87   0.15000  1.0 3.0
   73    77    86    88   0.15000  1.0 3.0
   73    77    86    89   0.15000  1.0 3.0
   74    73    77    81   0.15000  1.0 3.0
   74    73    77    82   0.15000  1.0 3.0
   74    73    77    86   0.15000  1.0 3.0
   74    73    78    79   0.00000  1.0 1.0
   74    73    78    80   0.00000  1.0 1.0
   77    73    78    79   0.00000  1.0 1.0
   77    73    78    80   0.00000  1.0 1.0
   77    81    62    54   0.25150  1.0 1.0
   77    81    62    54  -1.17200 -1.0 2.0
   77    81    62    54   0.53050  1.0 3.0
   77    81   -62    68   0.01700  1.0 1.0
   77    81   -62    68  -0.23550 -1.0 2.0
   77    81   -62    68   0.21350  1.0 3.0
   77    81    62    63   0.00000  1.0 1.0
   81    77    82    83   0.15000  1.0 3.0
   81    77    82    84   0.15000  1.0 3.0
   81    77    82    85   0.15000  1.0 3.0
   81    77    86    87   0.15000  1.0 3.0
   81    77    86    88   0.15000  1.0 3.0
   81    77    86    89   0.15000  1.0 3.0
   62    54   -60    61  -0.11250  1.0 1.0
   62    54   -60    61   0.11400 -1.0 2.0
   62    54   -60    61  -0.28950  1.0 3.0
   62    54   -60    68   3.00000 -1.0 2.0
   62    68    73    74   0.00000  1.0 1.0
   62    68   -73    77   0.00000  1.0 1.0
   62    68    73    78   0.00000  1.0 1.0
   82    77    81    62  -0.25000 -1.0 2.0
   82    77    81    62  -0.01800  1.0 3.0
   82    77    86    87   0.15000  1.0 3.0
   82    77    86    88   0.15000  1.0 3.0
   82    77    86    89   0.15000  1.0 3.0
   86    77    81    62  -0.25000 -1.0 2.0
   86    77    81    62  -0.01800  1.0 3.0
   86    77    82    83   0.15000  1.0 3.0
   86    77    82    84   0.15000  1.0 3.0
   86    77    82    85   0.15000  1.0 3.0
   78    73    77    81  -2.17200  1.0 1.0
   78    73    77    81  -0.85700 -1.0 2.0
   78    73    77    82  -0.84850  1.0 1.0
   78    73    77    82  -0.22800 -1.0 2.0
   78    73    77    82   0.29250  1.0 3.0
   78    73    77    86  -0.84850  1.0 1.0
   78    73    77    86  -0.22800 -1.0 2.0
   78    73    77    86   0.29250  1.0 3.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    42   1.13150  1.0 1.0
   39    33    37    42  -1.01400 -1.0 2.0
   39    33    37    43  -0.09450  1.0 1.0
   39    33    37    43  -1.12950 -1.0 2.0
   39    33    37    43   0.54000  1.0 3.0
   39    33    41    45  -0.25600  1.0 1.0
   39    33    41    45  -0.40050 -1.0 2.0
   39    33    41    45   0.34700  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    42  -0.64350  1.0 1.0
   41    33    37    42  -0.04200 -1.0 2.0
   41    33    37    42   0.19800  1.0 3.0
   41    33    37    43  -0.09450  1.0 1.0
   41    33    37    43  -1.12950 -1.0 2.0
   41    33    37    43   0.54000  1.0 3.0
   41    33    39    40  -0.50000  1.0 1.0
   41    33    39    40  -0.73950 -1.0 2.0
   41    33    39    40   0.17150  1.0 3.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    56   3.62500 -1.0 2.0
   41    45    75    69   3.62500 -1.0 2.0
   41    45    75    76   3.62500 -1.0 2.0
   45    50    56    57   3.62500 -1.0 2.0
   45    50    56    64   3.62500 -1.0 2.0
   50    45    75    69   3.62500 -1.0 2.0
   50    45    75    76   3.62500 -1.0 2.0
   50    56    64    65   3.62500 -1.0 2.0
   50    56   -64    69   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   51    50    56    64   3.62500 -1.0 2.0
   56    64    69    70   3.62500 -1.0 2.0
   56    64    69    75   3.62500 -1.0 2.0
   57    56    64    65   3.62500 -1.0 2.0
   57    56    64    69   3.62500 -1.0 2.0
   64    69   -75    45   3.62500 -1.0 2.0
   64    69    75    76   3.62500 -1.0 2.0
   65    64    69    70   3.62500 -1.0 2.0
   65    64    69    75   3.62500 -1.0 2.0
   70    69    75    45   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   75    45    50    51   3.62500 -1.0 2.0
   75    45   -50    56   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
   35    30    34    36  10.50000 -1.0 2.0
   46    71    42    37   4.00000 -1.0 2.0
   52    47    46    42   1.10000 -1.0 2.0
   58    53    52    46   1.10000 -1.0 2.0
   66    59    58    52   1.10000 -1.0 2.0
   71    67    66    58   1.10000 -1.0 2.0
   66    72    71    42   1.10000 -1.0 2.0
   37    48    43    44  10.50000 -1.0 2.0
   49    43    48    54   1.00000 -1.0 2.0
   54    68    60    61  10.50000 -1.0 2.0
   62    60    68    73   1.00000 -1.0 2.0
   79    73    78    80  10.50000 -1.0 2.0
   50    75    45    41   4.00000 -1.0 2.0
   56    51    50    45   1.10000 -1.0 2.0
   64    57    56    50   1.10000 -1.0 2.0
   69    65    64    56   1.10000 -1.0 2.0
   75    70    69    64   1.10000 -1.0 2.0
   69    76    75    45   1.10000 -1.0 2.0
END
