* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    157    248     463
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02073   106.58446   -17.08599
    3     1 S   H    _H1_     3     1.02102    57.72154    84.94355
    4     1 S   H    _H2_     4     1.02133    54.42146  -118.46919
    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     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   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   _C21    36     1.85815    96.72565  -158.13528
   34    33 S   HC   _H6_    37     1.09463   100.33247    32.83251
   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   CT   _C20    38     1.53799   108.58329   -79.98636
   39    38 S   HC   _H5_    39     1.09702   110.06565   174.84231
   40    38 S   CO4  _C19    40     1.51887   109.75614   -66.74628
   41    40 S   O    _O35    41     1.22759   123.07821   138.92842
   42    38 S   OS   _O36    78     1.41532   111.30157    56.79640
   43    40 S   CM   _C18    42     1.48218   116.64307   -44.35083
   44    43 S   HC   _H22    43     1.08336   117.46940  -162.02671
   45    42 S   CT   _C22    79     1.42278   111.72574   157.25282
   46    45 S   HC   _H23    80     1.09300   109.52115   179.92087
   47    45 S   HC   _H24    81     1.09321   109.52663    59.19009
   48    45 S   HC   _H25    82     1.09203   109.03239   -60.42977
   49    43 S   CM   _C17    44     1.34217   119.74183    11.17346
   50    49 S   CT   _C16    45     1.50632   121.10104  -166.00097
   51    50 S   HC   _H4_    46     1.09725   111.27681   -14.41364
   52    33 S   CT   _C7_    58     1.58196   115.35272   155.53759
   53    50 S   CT   _C15    47     1.54179   106.82811   104.83526
   54    53 S   HC   _H20    48     1.09914   107.72627   -79.27161
   55    53 S   HC   _H21    49     1.09541   111.06241   164.64677
   56    52 S   CT   _C6_    59     1.56570   111.71398   -40.70528
   57    56 S   HC   _H12    60     1.09507   110.65883    55.55888
   58    56 S   HC   _H13    61     1.09699   110.34969   -61.94841
   59    50 S   NP   _N4_    65     1.52465   111.87517  -131.36090
   60    59 S   H    _H3_    66     1.02908   104.86165    60.04855
   61    53 S   CA   _C9_    50     1.51907   115.38189    39.34930
   62    56 S   CT   _C5_    62     1.53127   114.94092   174.79534
   63    62 S   HC   _H10    63     1.09350   113.22632    68.63295
   64    62 S   HC   _H11    64     1.09598   110.09232  -169.77434
   65    59 S   CT   _C4_    67     1.50479   114.36085   173.98448
   66    65 S   HC   _H7_    68     1.09153   107.82109    65.92513
   67    65 S   HC   _H8_    69     1.09198   107.82720  -174.08255
   68    65 S   HC   _H9_    70     1.09186   107.86471   -54.10232
   69    61 S   CA   _C10    51     1.40489   117.70236   172.26320
   70    69 S   HA   _H14    52     1.08773   120.16636     0.45928
   71    69 S   CA   _C11    53     1.39145   120.69596  -178.98644
   72    71 S   HA   _H15    54     1.08619   119.70338   179.43629
   73    71 S   CA   _C12    55     1.38887   119.75928     0.45714
   74    73 S   CA   _C13    56     1.39781   120.27438    -0.88426
   75    73 S   OS   _O34    73     1.36397   118.92909   177.93531
   76    61 S   CA   _C8_    57     1.41977   122.31142    -8.36074
   77    74 S   OH   _O33    71     1.36387   115.16627   172.58394
   78    77 S   HO   _H16    72     0.96943   110.08016     6.75947
   79    75 S   CT   _C14    74     1.42447   117.00148    91.24535
   80    79 S   HC   _H17    75     1.09266   109.53736   179.97202
   81    79 S   HC   _H18    76     1.09300   109.59009    59.19944
   82    79 S   HC   _H19    77     1.09265   109.00442   -60.40906
  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  10   5   4   3
  18   8   2   1   1  14   6   8   4   6   9   3   3   2   1   1
  16  18   9  14  12   5   4  11   6   5   9   7   8   7   2   1
   3   2   1   1   7   4   7   3   9   5   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    76    52    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    61    74    76    52    56    57    58    62    42    45  
   38    39    40    49    76    52    56    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    76    52    56    42    45    46    47    48  
   40    41    43    52    42    45  
   41    43    44    49    50    52    42    45  
   43    44    49    42  
   45    46    47    48    43    52  
   44    49    50    51    53    76    52    56    59  
   49    50    52  
   46    47    48  
   47    48  
   48  
    0  
   50    51    53    54    55    61    74    76    52    56    57    58    62    59    60    65  
   51    53    54    55    61    69    76    52    56    62    63    64    59    60    65    66    67    68  
   53    54    55    61    52    62    59    60    65  
   56    57    58    62    63    64    59    77    53    61    69    73    74    76  
   54    55    61    69    70    71    74    76    62    59    60    65  
   55    61    69    76    59  
   61    69    76    59  
   57    58    62    63    64    59    60    65    61    74    76  
   58    62    63    64    59    76  
   62    63    64    59    76  
   60    65    66    67    68    61    62    63    64  
   65    66    67    68    62    63    64  
   69    70    71    72    73    74    76    77  
   63    64    65    66    67    68    76  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    76    75  
   71    72    73    76  
   72    73    74    76    77    75    79  
   73    74    75  
   74    76    77    78    75    79    80    81    82  
   76    77    78    75    79  
   79    80    81    82    76    77  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   0.107500   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   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   60   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   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    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   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   320.000  1.462
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    59   367.000  1.471
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   317.000  1.510
   61    69   469.000  1.400
   61    76   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    76   469.000  1.400
   74    77   450.000  1.364
   76    52   317.000  1.510
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    59   367.000  1.471
   59    60   434.000  1.010
   59    65   367.000  1.471
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   77    78   553.000  0.945
   75    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    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    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    52    49    70.00000  112.02700
   33    52    76    70.00000  112.17500
   33    52    56    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    65.00000  118.62400
   38    42    45    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    44    40.00000  117.72500
   40    43    49    65.00000  118.96000
   43    40    41    80.00000  123.72100
   43    49    50    70.00000  124.00000
   43    49    52    70.00000  124.00000
   49    43    44    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    53    70.00000  112.02700
   49    50    59    75.00000  110.06800
   49    52    76    70.00000  112.99600
   49    52    56    70.00000  112.02700
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    61    70.00000  112.17500
   50    59    62    75.00000  113.01200
   50    59    60    35.00000  109.50000
   50    59    65    75.00000  113.01200
   53    50    51    37.50000  110.70000
   53    61    69    70.00000  120.00000
   53    61    76    70.00000  120.00000
   55    53    54    33.00000  107.80000
   61    53    54    35.00000  109.50000
   61    53    55    35.00000  109.50000
   61    69    70    35.00000  120.00000
   61    69    71    63.00000  120.00000
   61    76    74    63.00000  120.00000
   61    76    52    70.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    74    77    70.00000  120.00000
   73    75    79    75.00000  111.00000
   74    76    52    70.00000  120.00000
   74    77    78    35.00000  113.00000
   76    61    69    63.00000  120.00000
   76    52    56    70.00000  112.17500
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    49    50    65.00000  117.92700
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    62    58.35000  112.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    59    80.00000  111.20000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    59    60    35.00000  109.50000
   62    59    65    75.00000  113.01200
   64    62    63    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    53    80.00000  111.20000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    35.00000  109.50000
   65    59    60    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   77    74    76    70.00000  120.00000
   75    73    74    70.00000  120.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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
   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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    49   0.56750  1.0 1.0
   29    33    52    49  -0.07550 -1.0 2.0
   29    33    52    49   0.20000  1.0 3.0
   29    33    52    76   0.56750  1.0 1.0
   29    33    52    76  -0.07550 -1.0 2.0
   29    33    52    76   0.20000  1.0 3.0
   29    33    52    56   0.44750  1.0 1.0
   29    33    52    56  -0.17800 -1.0 2.0
   29    33    52    56   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.65300  1.0 1.0
   33    38    40    43  -0.03850 -1.0 2.0
   33    38    40    43   0.33900  1.0 3.0
   33    38    42    45   0.06250  1.0 1.0
   33    38    42    45  -0.01100 -1.0 2.0
   33    38    42    45   0.28050  1.0 3.0
   33    52    56    57   0.15000  1.0 3.0
   33    52    56    58   0.15000  1.0 3.0
   33    52    56    62   0.56750  1.0 1.0
   33    52    56    62  -0.07550 -1.0 2.0
   33    52    56    62   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    52    49   0.15000  1.0 3.0
   34    33    52    76   0.43200  1.0 3.0
   34    33    52    56   0.15000  1.0 3.0
   38    33    52    49   0.34400  1.0 1.0
   38    33    52    49   0.09450 -1.0 2.0
   38    33    52    49   0.11100  1.0 3.0
   38    33    52    76  -0.03700  1.0 1.0
   38    33    52    76   0.37200 -1.0 2.0
   38    33    52    76  -0.47300  1.0 3.0
   38    33    52    56   0.56750  1.0 1.0
   38    33    52    56  -0.07550 -1.0 2.0
   38    33    52    56   0.20000  1.0 3.0
   38    40    43    44   0.04550  1.0 1.0
   38    40    43    44   0.83000 -1.0 2.0
   38    40    43    44  -0.04000  1.0 3.0
   38    40   -43    49  -0.33500  1.0 1.0
   38    40   -43    49   1.06600 -1.0 2.0
   38    40   -43    49  -0.14000  1.0 3.0
   38    42    45    46   0.37050  1.0 3.0
   38    42    45    47   0.37050  1.0 3.0
   38    42    45    48   0.37050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    42    45   0.37050  1.0 3.0
   40    38    42    45  -1.11000  1.0 1.0
   40    38    42    45   0.50250 -1.0 2.0
   40    38    42    45   0.47450  1.0 3.0
   40    43    49    50   7.00000 -1.0 2.0
   40    43    49    52   7.00000 -1.0 2.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    49   1.00000 -1.0 2.0
   43    49    50    51   0.00000  1.0 1.0
   43    49    50    53   0.09850  1.0 1.0
   43    49    50    53   0.15250 -1.0 2.0
   43    49    50    53  -0.50650  1.0 3.0
   43    49    50    59   0.80850  1.0 1.0
   43    49    50    59  -0.47300 -1.0 2.0
   43    49    50    59  -0.52300  1.0 3.0
   43    49   -52    33   0.09850  1.0 1.0
   43    49   -52    33   0.15250 -1.0 2.0
   43    49   -52    33  -0.50650  1.0 3.0
   43    49    52    76   1.44450  1.0 1.0
   43    49    52    76   0.06600 -1.0 2.0
   43    49    52    76   0.29250  1.0 3.0
   43    49    52    56   0.09850  1.0 1.0
   43    49    52    56   0.15250 -1.0 2.0
   43    49    52    56  -0.50650  1.0 3.0
   44    43    49    50   7.00000 -1.0 2.0
   44    43    49    52   7.00000 -1.0 2.0
   49    50    53    54   0.15000  1.0 3.0
   49    50    53    55   0.15000  1.0 3.0
   49    50    53    61   0.21200  1.0 1.0
   49    50    53    61   0.16900 -1.0 2.0
   49    50    53    61  -1.15100  1.0 3.0
   49    50    59    62   0.08000 -1.0 2.0
   49    50    59    60   0.17350  1.0 3.0
   49    50    59    65   0.08000 -1.0 2.0
   49    52    56    57   0.15000  1.0 3.0
   49    52    56    58   0.15000  1.0 3.0
   49    52   -56    62   0.34400  1.0 1.0
   49    52   -56    62   0.09450 -1.0 2.0
   49    52   -56    62   0.11100  1.0 3.0
   50    49    52    33   0.46850  1.0 1.0
   50    49    52    33   0.08550 -1.0 2.0
   50    49    52    33   0.09800  1.0 3.0
   50    49    52    76   0.09700  1.0 1.0
   50    49    52    76   0.15600 -1.0 2.0
   50    49    52    76  -0.50800  1.0 3.0
   50    49    52    56   0.46850  1.0 1.0
   50    49    52    56   0.08550 -1.0 2.0
   50    49    52    56   0.09800  1.0 3.0
   50    53    61    69   0.04150 -1.0 2.0
   50    53   -61    76   0.04150 -1.0 2.0
   50    59    65    66   0.15000  1.0 3.0
   50    59    65    67   0.15000  1.0 3.0
   50    59    65    68   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    61   0.43200  1.0 3.0
   51    50    59    62   0.15000  1.0 3.0
   51    50    59    60   0.13050  1.0 3.0
   51    50    59    65   0.15000  1.0 3.0
   53    50    59    62   0.47100  1.0 1.0
   53    50    59    60   0.17350  1.0 3.0
   53    50    59    65   0.47100  1.0 1.0
   53    61    69    70   3.62500 -1.0 2.0
   53    61    69    71   3.62500 -1.0 2.0
   53    61    76    74   3.62500 -1.0 2.0
   53    61    76    52   3.62500 -1.0 2.0
   54    53    61    69   0.00000  1.0 1.0
   54    53    61    76   0.00000  1.0 1.0
   55    53    61    69   0.00000  1.0 1.0
   55    53    61    76   0.00000  1.0 1.0
   61    69    71    72   3.62500 -1.0 2.0
   61    69    71    73   3.62500 -1.0 2.0
   61    76    52    33   0.04150 -1.0 2.0
   61    76   -52    49   0.18050 -1.0 2.0
   61    76    52    56   0.04150 -1.0 2.0
   69    61    76    74   3.62500 -1.0 2.0
   69    61    76    52   3.62500 -1.0 2.0
   69    71   -73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   71    73    74    77   3.62500 -1.0 2.0
   71    73    75    79   1.63200 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74   -76    61   3.62500 -1.0 2.0
   73    74    76    52   3.62500 -1.0 2.0
   73    74    77    78   0.84100 -1.0 2.0
   73    75    79    80   0.08050  1.0 3.0
   73    75    79    81   0.08050  1.0 3.0
   73    75    79    82   0.08050  1.0 3.0
   74    73    75    79   1.63200 -1.0 2.0
   74    76    52    33   0.04150 -1.0 2.0
   74    76    52    49   0.18050 -1.0 2.0
   74    76    52    56   0.04150 -1.0 2.0
   76    61    69    70   3.62500 -1.0 2.0
   76    61   -69    71   3.62500 -1.0 2.0
   76    74    77    78   0.84100 -1.0 2.0
   76    52    56    57   0.43200  1.0 3.0
   76    52    56    58   0.43200  1.0 3.0
   76    52    56    62  -0.03700  1.0 1.0
   76    52    56    62   0.37200 -1.0 2.0
   76    52    56    62  -0.47300  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40  -0.95700  1.0 1.0
   52    33   -38    40  -0.18200 -1.0 2.0
   52    33   -38    40   0.29450  1.0 3.0
   52    33    38    42   0.62750  1.0 1.0
   52    33    38    42  -0.30950 -1.0 2.0
   52    33    38    42   0.27300  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49   -50    53   0.46850  1.0 1.0
   52    49   -50    53   0.08550 -1.0 2.0
   52    49   -50    53   0.09800  1.0 3.0
   52    49    50    59   0.52100  1.0 1.0
   52    49    50    59  -0.20350 -1.0 2.0
   52    49    50    59   0.29750  1.0 3.0
   52    56    62    63   0.15000  1.0 3.0
   52    56    62    64   0.15000  1.0 3.0
   52    56   -62    59   1.36600  1.0 1.0
   52    56   -62    59  -0.11450 -1.0 2.0
   52    56   -62    59   0.24250  1.0 3.0
   56    62   -59    50   0.47100  1.0 1.0
   56    62    59    60   0.17350  1.0 3.0
   56    62    59    65   0.47100  1.0 1.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    59   0.19200  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    64   0.15000  1.0 3.0
   58    56    62    59   0.19200  1.0 3.0
   62    59    65    66   0.15000  1.0 3.0
   62    59    65    67   0.15000  1.0 3.0
   62    59    65    68   0.15000  1.0 3.0
   63    62    59    50   0.15000  1.0 3.0
   63    62    59    60   0.13050  1.0 3.0
   63    62    59    65   0.15000  1.0 3.0
   64    62    59    50   0.15000  1.0 3.0
   64    62    59    60   0.13050  1.0 3.0
   64    62    59    65   0.15000  1.0 3.0
   59    50    53    54   0.19200  1.0 3.0
   59    50    53    55   0.19200  1.0 3.0
   59    50    53    61   1.24050  1.0 1.0
   59    50    53    61   0.48100 -1.0 2.0
   59    50    53    61   1.08150  1.0 3.0
   60    59    65    66   0.13050  1.0 3.0
   60    59    65    67   0.13050  1.0 3.0
   60    59    65    68   0.13050  1.0 3.0
   77    74    76    61   3.62500 -1.0 2.0
   77    74    76    52   3.62500 -1.0 2.0
   75    73    74    76   3.62500 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.65300  1.0 1.0
   42    38    40    43  -0.03850 -1.0 2.0
   42    38    40    43   0.33900  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
   36    30    35    37  10.50000 -1.0 2.0
   38    43    40    41  10.50000 -1.0 2.0
   40    44    43    49   1.10000 -1.0 2.0
   50    52    49    43   1.10000 -1.0 2.0
   69    76    61    53   4.00000 -1.0 2.0
   71    70    69    61   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   76    77    74    73   4.00000 -1.0 2.0
   74    52    76    61   4.00000 -1.0 2.0
END
