* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    164    254     486
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02034   105.65623   -27.85015
    3     1 S   H    _H1_     3     1.02135    64.34043    75.73100
    4     1 S   H    _H2_     4     1.02092    48.17569  -129.13023
    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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   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   _C20    36     1.82053    98.18135  -160.02548
   34    33 S   HC   _H6_    37     1.09308   107.88329    41.82530
   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   _C7_    38     1.53171   109.48232   159.99462
   39    33 S   CT   _C21    83     1.52102   110.03259   -77.60811
   40    39 S   HC   _H25    84     1.09561   110.41793   -61.60096
   41    39 S   HC   _H26    85     1.09557   111.04743   179.48452
   42    39 S   HC   _H27    86     1.09529   112.03195    58.20487
   43    38 S   CO4  _C8_    39     1.52433   109.10510   -57.63944
   44    43 S   O    _O33    40     1.22464   124.23474   113.51833
   45    38 S   CT   _C6_    66     1.54407   110.93714   178.57083
   46    45 S   HC   _H10    67     1.09651   107.57750    52.70356
   47    45 S   HC   _H11    68     1.09831   109.07328   -61.88186
   48    38 S   OH   _O38    81     1.42173   107.34257    57.65544
   49    48 S   HO   _H28    82     0.97078   106.73078   -56.88569
   50    43 S   OS   _O34    41     1.36559   110.21616   -66.34953
   51    50 S   CT   _C9_    42     1.44084   117.09192   178.74586
   52    51 S   HC   _H4_    43     1.09613   110.17318    45.36281
   53    51 S   CT   _C10    44     1.52460   109.44388   -79.45211
   54    53 S   HC   _H12    45     1.09729   110.39813   166.11183
   55    53 S   HC   _H13    46     1.09426   113.70177    43.41646
   56    53 S   CT   _C11    47     1.52157   102.29436   -76.35942
   57    56 S   HC   _H14    48     1.09682   109.02814    81.07025
   58    56 S   HC   _H15    49     1.09444   111.74295  -159.46615
   59    56 S   NT   _N4_    50     1.46540   104.01901   -39.38751
   60    59 S   CT   _C15    51     1.47509   114.05012   141.11122
   61    60 S   HC   _H17    52     1.09473   109.37492   113.25191
   62    60 S   HC   _H18    53     1.09590   113.65491    -8.00695
   63    60 S   CM   _C14    54     1.49402   105.67507  -128.00017
   64    63 S   HC   _H16    55     1.08047   123.84865  -172.92640
   65    63 S   CM   _C13    56     1.33690   111.12059     6.10548
   66    65 S   CT   _C16    57     1.48980   126.56767  -175.10163
   67    66 S   HC   _H19    58     1.09655   111.59050    17.73409
   68    66 S   HC   _H20    59     1.09610   109.61699   134.84040
   69    51 S   CT   _C12    79     1.53215   110.58915   169.13498
   70    69 S   HC   _H5_    80     1.09744   109.13900  -157.21272
   71    66 S   OS   _O35    60     1.43734   111.33411  -106.71876
   72    71 S   CO4  _C17    61     1.36791   116.88122    95.02664
   73    72 S   O    _O36    62     1.22495   125.58294    -4.58877
   74    72 S   CT   _C18    63     1.53099   110.61887   174.29024
   75    74 S   CT   _C5_    64     1.56017   112.45958    55.22494
   76    75 S   HC   _H3_    65     1.09574   107.37938   -62.01615
   77    74 S   CT   _C19    73     1.53302   107.23555   -69.70616
   78    77 S   HC   _H21    74     1.08750   109.50736   180.00000
   79    77 S   HC   _H22    75     1.08596   109.55909    60.01766
   80    77 S   HC   _H23    76     1.08687   109.56844   -60.06007
   81    74 S   OH   _O37    77     1.42691   106.94554   176.46748
   82    81 S   HO   _H24    78     0.96825   106.35114    60.03014
   83    75 S   CT   _C4_    69     1.53825   111.36527  -178.96033
   84    83 S   HC   _H7_    70     1.08422   109.30076   -62.89985
   85    83 S   HC   _H8_    71     1.08555   109.24430   177.06215
   86    83 S   HC   _H9_    72     1.08537   109.25970    57.12874
  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
  15   8   2   1   1  17   6   2   1   1  12   4  15   6   5   3
   1  10  14   8  10   6   5  10   4   3   9   8   5   4   8   3
   7   8   4   3   2   1   6  11   4  12  11   6   6   3   2   1
   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    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    43    45    48    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    50    75    45    46    47    48    49    39    40    41    42  
   38    43    45    48    39    40    41    42  
   36    37  
   37  
    0  
   43    44    50    51    74    75    76    45    46    47    83    48    49    39    40    41    42  
   40    41    42    43    45    48  
   41    42  
   42  
    0  
   44    50    51    52    53    75    45    46    47    69    48    49  
   50    51    45    48  
   46    47    83    84    85    86    77    81    48    49    50    72    74    75    76  
   47    83    48    74    75    76  
   83    48    74    75    76  
   49    50    75  
    0  
   51    52    53    54    55    56    59    65    69    70  
   52    53    54    55    56    57    58    59    60    63    65    66    69    70  
   53    54    55    56    59    65    69    70  
   54    55    56    57    58    59    60    65    69    70  
   55    56    57    58    59    69  
   56    57    58    59    69  
   57    58    59    60    61    62    63    65    69    70  
   58    59    60    69  
   59    60    69  
   60    61    62    63    64    65    66    69    70  
   61    62    63    64    65    66    69    70  
   62    63    64    65    69  
   63    64    65    69  
   64    65    66    67    68    71    69    70  
   65    66    69  
   66    67    68    71    72    69    70  
   67    68    71    72    73    74    69    70  
   68    71    72    69  
   71    72    69  
   70    71  
    0  
   72    73    74    75    77    81  
   73    74    75    76    83    77    78    79    80    81    82  
   74    75    77    81  
   75    76    83    84    85    86    77    78    79    80    81    82  
   76    83    84    85    86    77    78    79    80    81    82  
   83    84    85    86    77    81  
   78    79    80    81    82    83  
   79    80    81  
   80    81  
   81  
   82    83  
    0  
   84    85    86  
   85    86  
   86  
    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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    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    39   268.000  1.529
   38    43   317.000  1.522
   38    45   268.000  1.529
   38    48   320.000  1.410
   43    44   570.000  1.229
   43    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    69   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   382.000  1.448
   59    60   382.000  1.448
   59    69   382.000  1.448
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   317.000  1.510
   65    69   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   268.000  1.529
   74    77   268.000  1.529
   74    81   320.000  1.410
   75    76   340.000  1.090
   75    45   268.000  1.529
   75    83   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   553.000  0.945
   69    70   340.000  1.090
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    39    75.00000  111.63000
   33    38    43    63.00000  111.10000
   33    38    45    58.35000  112.70000
   33    38    48    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    43    44    80.00000  120.40000
   38    43    50    81.00000  111.40000
   38    45    75    58.35000  112.70000
   38    45    46    37.50000  110.70000
   38    45    47    37.50000  110.70000
   38    48    49    55.00000  108.50000
   43    50    51    83.00000  116.90000
   50    43    44    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    69    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    58.35000  112.70000
   51    69    59    56.20000  109.47000
   51    69    65    70.00000  112.02700
   51    69    70    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    56.20000  109.47000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    51.80000  107.20000
   56    59    69    51.80000  107.20000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    63    75.00000  110.70900
   59    69    65    75.00000  110.70900
   59    69    70    35.00000  109.50000
   60    63    64    35.00000  117.00000
   60    63    65    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    70.00000  124.00000
   63    65    69    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    71    85.00000  110.90400
   65    69    70    35.00000  109.50000
   66    71    72    83.00000  116.90000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    81.00000  111.40000
   72    74    75    63.00000  111.10000
   72    74    77    63.00000  111.10000
   72    74    81    90.00000  109.61100
   74    72    73    80.00000  120.40000
   74    75    76    37.50000  110.70000
   74    75    45    58.35000  112.70000
   74    75    83    58.35000  112.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    37.50000  110.70000
   74    81    82    55.00000  108.50000
   75    45    46    37.50000  110.70000
   75    45    47    37.50000  110.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   45    38    43    63.00000  111.10000
   45    75    76    37.50000  110.70000
   47    45    46    33.00000  107.80000
   83    75    76    37.50000  110.70000
   83    75    45    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   77    74    75    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    74    75    50.00000  109.50000
   81    74    77    50.00000  109.50000
   69    51    52    37.50000  110.70000
   69    51    53    58.35000  112.70000
   69    59    60    51.80000  107.20000
   69    65    66    65.00000  117.92700
   48    38    43    90.00000  109.61100
   48    38    45    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   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    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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    38    45   0.44750  1.0 1.0
   29    33    38    45  -0.17800 -1.0 2.0
   29    33    38    45   0.20200  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    50   0.36750  1.0 3.0
   33    38    45    75   0.56750  1.0 1.0
   33    38    45    75  -0.07550 -1.0 2.0
   33    38    45    75   0.20000  1.0 3.0
   33    38    45    46   0.15000  1.0 3.0
   33    38    45    47   0.15000  1.0 3.0
   33    38    48    49  -0.11600  1.0 1.0
   33    38    48    49  -0.09450 -1.0 2.0
   33    38    48    49   0.21250  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    38    45   0.15000  1.0 3.0
   34    33    38    48   0.23400  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    50    51   1.63150  1.0 1.0
   38    43    50    51   2.92000 -1.0 2.0
   43    38    45    75  -0.95700  1.0 1.0
   43    38    45    75  -0.18200 -1.0 2.0
   43    38    45    75   0.29450  1.0 3.0
   43    38    45    46  -0.11250  1.0 3.0
   43    38    45    47  -0.11250  1.0 3.0
   43    38    48    49   0.91850  1.0 1.0
   43    38    48    49   0.57950  1.0 3.0
   43    50    51    52   0.08050  1.0 3.0
   43    50    51    53  -0.25900  1.0 1.0
   43    50    51    53  -0.47000 -1.0 2.0
   43    50    51    53   0.11750  1.0 3.0
   43    50    51    69  -0.25900  1.0 1.0
   43    50    51    69  -0.47000 -1.0 2.0
   43    50    51    69   0.11750  1.0 3.0
   44    43    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    56   0.62750  1.0 1.0
   50    51    53    56  -0.30950 -1.0 2.0
   50    51    53    56   0.27300  1.0 3.0
   50    51    69    59   1.74050  1.0 1.0
   50    51    69    65   0.61850  1.0 1.0
   50    51    69    65  -0.22750 -1.0 2.0
   50    51    69    65   0.15300  1.0 3.0
   50    51    69    70   0.23400  1.0 3.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    58   0.15000  1.0 3.0
   51    53   -56    59   1.53400  1.0 1.0
   51    53   -56    59  -0.09950 -1.0 2.0
   51    53   -56    59   0.05700  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    69    59   0.15000  1.0 3.0
   52    51    69    65   0.15000  1.0 3.0
   52    51    69    70   0.15000  1.0 3.0
   53    51   -69    59   1.53400  1.0 1.0
   53    51   -69    59  -0.09950 -1.0 2.0
   53    51   -69    59   0.05700  1.0 3.0
   53    51    69    65   0.34400  1.0 1.0
   53    51    69    65   0.09450 -1.0 2.0
   53    51    69    65   0.11100  1.0 3.0
   53    51    69    70   0.15000  1.0 3.0
   53    56    59    60   0.23450  1.0 1.0
   53    56    59    60   0.02050 -1.0 2.0
   53    56    59    60   0.25250  1.0 3.0
   53    56   -59    69   0.23450  1.0 1.0
   53    56   -59    69   0.02050 -1.0 2.0
   53    56   -59    69   0.25250  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59    60    61   0.28000  1.0 3.0
   56    59    60    62   0.28000  1.0 3.0
   56    59    60    63  -0.60800  1.0 1.0
   56    59    60    63   1.10050 -1.0 2.0
   56    59    60    63   0.47000  1.0 3.0
   56    59   -69    51   0.23450  1.0 1.0
   56    59   -69    51   0.02050 -1.0 2.0
   56    59   -69    51   0.25250  1.0 3.0
   56    59    69    65  -0.60800  1.0 1.0
   56    59    69    65   1.10050 -1.0 2.0
   56    59    69    65   0.47000  1.0 3.0
   56    59    69    70   0.28000  1.0 3.0
   57    56    59    60   0.28000  1.0 3.0
   57    56    59    69   0.28000  1.0 3.0
   58    56    59    60   0.28000  1.0 3.0
   58    56    59    69   0.28000  1.0 3.0
   59    60    63    64   0.00000  1.0 1.0
   59    60   -63    65   0.90200  1.0 1.0
   59    60   -63    65   0.57900 -1.0 2.0
   59    60   -63    65  -0.62100  1.0 3.0
   60    59    69    51   0.23450  1.0 1.0
   60    59    69    51   0.02050 -1.0 2.0
   60    59    69    51   0.25250  1.0 3.0
   60    59   -69    65  -0.60800  1.0 1.0
   60    59   -69    65   1.10050 -1.0 2.0
   60    59   -69    65   0.47000  1.0 3.0
   60    59    69    70   0.28000  1.0 3.0
   60    63    65    66   7.00000 -1.0 2.0
   60    63   -65    69   7.00000 -1.0 2.0
   61    60    63    64   0.33100  1.0 3.0
   61    60    63    65   0.00000  1.0 1.0
   62    60    63    64   0.33100  1.0 3.0
   62    60    63    65   0.00000  1.0 1.0
   63    65    66    67   0.00000  1.0 1.0
   63    65    66    68   0.00000  1.0 1.0
   63    65    66    71   0.39000  1.0 1.0
   63    65    66    71  -0.05800 -1.0 2.0
   63    65    66    71  -0.55150  1.0 3.0
   63    65    69    51   0.09850  1.0 1.0
   63    65    69    51   0.15250 -1.0 2.0
   63    65    69    51  -0.50650  1.0 3.0
   63    65   -69    59   0.90200  1.0 1.0
   63    65   -69    59   0.57900 -1.0 2.0
   63    65   -69    59  -0.62100  1.0 3.0
   63    65    69    70   0.00000  1.0 1.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    69   7.00000 -1.0 2.0
   65    66    71    72  -0.82050  1.0 1.0
   65    66    71    72   0.00600 -1.0 2.0
   65    66    71    72   0.04400  1.0 3.0
   66    65    69    51   0.46850  1.0 1.0
   66    65    69    51   0.08550 -1.0 2.0
   66    65    69    51   0.09800  1.0 3.0
   66    65    69    59   0.52100  1.0 1.0
   66    65    69    59  -0.20350 -1.0 2.0
   66    65    69    59   0.29750  1.0 3.0
   66    65    69    70   0.34800  1.0 3.0
   66    71    72    73   3.00000 -1.0 2.0
   66    71    72    74   1.63150  1.0 1.0
   66    71    72    74   2.92000 -1.0 2.0
   67    66    71    72   0.08050  1.0 3.0
   68    66    71    72   0.08050  1.0 3.0
   71    72    74    75   0.36750  1.0 3.0
   71    72    74    77   0.36750  1.0 3.0
   71    72    74    81   0.30750  1.0 1.0
   71    72    74    81   1.13850 -1.0 2.0
   71    72    74    81   0.38850  1.0 3.0
   72    74    75    76  -0.11250  1.0 3.0
   72    74    75    45  -0.95700  1.0 1.0
   72    74    75    45  -0.18200 -1.0 2.0
   72    74    75    45   0.29450  1.0 3.0
   72    74    75    83  -0.95700  1.0 1.0
   72    74    75    83  -0.18200 -1.0 2.0
   72    74    75    83   0.29450  1.0 3.0
   72    74    77    78  -0.11250  1.0 3.0
   72    74    77    79  -0.11250  1.0 3.0
   72    74    77    80  -0.11250  1.0 3.0
   72    74    81    82   0.91850  1.0 1.0
   72    74    81    82   0.57950  1.0 3.0
   73    72    74    75   0.30150 -1.0 2.0
   73    72    74    77   0.30150 -1.0 2.0
   73    72    74    81   0.30150 -1.0 2.0
   74    75    45    38   0.56750  1.0 1.0
   74    75    45    38  -0.07550 -1.0 2.0
   74    75    45    38   0.20000  1.0 3.0
   74    75    45    46   0.15000  1.0 3.0
   74    75    45    47   0.15000  1.0 3.0
   74    75    83    84   0.15000  1.0 3.0
   74    75    83    85   0.15000  1.0 3.0
   74    75    83    86   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   75    74    81    82  -0.11600  1.0 1.0
   75    74    81    82  -0.09450 -1.0 2.0
   75    74    81    82   0.21250  1.0 3.0
   76    75    45    38   0.15000  1.0 3.0
   76    75    45    46   0.15000  1.0 3.0
   76    75    45    47   0.15000  1.0 3.0
   76    75    83    84   0.15000  1.0 3.0
   76    75    83    85   0.15000  1.0 3.0
   76    75    83    86   0.15000  1.0 3.0
   45    38    43    44   0.30150 -1.0 2.0
   45    38    43    50   0.36750  1.0 3.0
   45    38    48    49  -0.11600  1.0 1.0
   45    38    48    49  -0.09450 -1.0 2.0
   45    38    48    49   0.21250  1.0 3.0
   45    75    83    84   0.15000  1.0 3.0
   45    75    83    85   0.15000  1.0 3.0
   45    75    83    86   0.15000  1.0 3.0
   83    75    45    38   0.56750  1.0 1.0
   83    75    45    38  -0.07550 -1.0 2.0
   83    75    45    38   0.20000  1.0 3.0
   83    75    45    46   0.15000  1.0 3.0
   83    75    45    47   0.15000  1.0 3.0
   77    74    75    76   0.15000  1.0 3.0
   77    74    75    45   0.56750  1.0 1.0
   77    74    75    45  -0.07550 -1.0 2.0
   77    74    75    45   0.20000  1.0 3.0
   77    74    75    83   0.56750  1.0 1.0
   77    74    75    83  -0.07550 -1.0 2.0
   77    74    75    83   0.20000  1.0 3.0
   77    74    81    82  -0.11600  1.0 1.0
   77    74    81    82  -0.09450 -1.0 2.0
   77    74    81    82   0.21250  1.0 3.0
   81    74    75    76   0.23400  1.0 3.0
   81    74    75    45   0.86500  1.0 1.0
   81    74    75    45  -0.17500 -1.0 2.0
   81    74    75    45   0.20800  1.0 3.0
   81    74    75    83   0.86500  1.0 1.0
   81    74    75    83  -0.17500 -1.0 2.0
   81    74    75    83   0.20800  1.0 3.0
   81    74    77    78   0.23400  1.0 3.0
   81    74    77    79   0.23400  1.0 3.0
   81    74    77    80   0.23400  1.0 3.0
   69    51    53    54   0.15000  1.0 3.0
   69    51    53    55   0.15000  1.0 3.0
   69    51   -53    56   0.56750  1.0 1.0
   69    51   -53    56  -0.07550 -1.0 2.0
   69    51   -53    56   0.20000  1.0 3.0
   69    59    60    61   0.28000  1.0 3.0
   69    59    60    62   0.28000  1.0 3.0
   69    59   -60    63  -0.60800  1.0 1.0
   69    59   -60    63   1.10050 -1.0 2.0
   69    59   -60    63   0.47000  1.0 3.0
   69    65    66    67   0.34800  1.0 3.0
   69    65    66    68   0.34800  1.0 3.0
   69    65    66    71   0.09700  1.0 1.0
   69    65    66    71   0.15600 -1.0 2.0
   69    65    66    71  -0.50800  1.0 3.0
   48    38    43    44   0.30150 -1.0 2.0
   48    38    43    50   0.30750  1.0 1.0
   48    38    43    50   1.13850 -1.0 2.0
   48    38    43    50   0.38850  1.0 3.0
   48    38    45    75   0.86500  1.0 1.0
   48    38    45    75  -0.17500 -1.0 2.0
   48    38    45    75   0.20800  1.0 3.0
   48    38    45    46   0.23400  1.0 3.0
   48    38    45    47   0.23400  1.0 3.0
   39    33    38    43  -0.95700  1.0 1.0
   39    33    38    43  -0.18200 -1.0 2.0
   39    33    38    43   0.29450  1.0 3.0
   39    33    38    45   0.56750  1.0 1.0
   39    33    38    45  -0.07550 -1.0 2.0
   39    33    38    45   0.20000  1.0 3.0
   39    33    38    48   0.86500  1.0 1.0
   39    33    38    48  -0.17500 -1.0 2.0
   39    33    38    48   0.20800  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    50    43    44  10.50000 -1.0 2.0
   60    64    63    65   1.10000 -1.0 2.0
   66    69    65    63   1.10000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
END
