* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    161    246     473
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02065    91.26285   -67.03832
    3     1 S   H    _H1_     3     1.02103    89.28424    41.65515
    4     1 S   H    _H2_     4     1.02072    32.89668   169.22669
    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   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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     1.81146    98.50289   161.81656
   34    33 S   HC   _H6_    37     1.09060   109.32068   -43.15036
   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   CM   _C7_    38     1.50779   107.33288  -159.97865
   39    33 S   CT   _C21    82     1.51502   110.92995    79.58250
   40    39 S   HC   _H26    83     1.09590   111.00794    58.19573
   41    39 S   HC   _H27    84     1.09605   112.30756   -63.35398
   42    39 S   HC   _H28    85     1.09619   110.46518   177.42907
   43    38 S   CM   _C8_    39     1.35539   124.71396   -62.29427
   44    38 S   CT   _C6_    65     1.52314   114.33864   120.83276
   45    44 S   HC   _H10    66     1.09846   109.60620    17.02811
   46    44 S   HC   _H11    67     1.09598   107.20089   129.80466
   47    43 S   OS   _O33    40     1.39347   118.94619  -176.03439
   48    43 S   OH   _O37    80     1.38473   122.78286     3.34264
   49    48 S   HO   _H25    81     0.96204   109.66155    -0.03956
   50    47 S   CT   _C9_    41     1.42240   114.39353  -149.25568
   51    50 S   HC   _H4_    42     1.10127   110.62552    30.59862
   52    50 S   CT   _C10    43     1.51568   113.09438   -93.42120
   53    52 S   HC   _H12    44     1.09121   114.37520    78.50817
   54    52 S   HC   _H13    45     1.09656   110.74779   -42.79073
   55    52 S   CT   _C11    46     1.52075   102.52280  -161.68285
   56    55 S   HC   _H14    47     1.09590   111.04142   152.60343
   57    55 S   HC   _H15    48     1.09651   109.39319   -89.74176
   58    55 S   NT   _N4_    49     1.48128   107.32340    26.38413
   59    58 S   CT   _C15    50     1.48052   111.91183   113.32681
   60    59 S   HC   _H17    51     1.09596   109.04038   142.31286
   61    59 S   HC   _H18    52     1.09469   113.30559    22.88301
   62    59 S   CM   _C14    53     1.48696   106.25745  -100.08480
   63    62 S   HC   _H16    54     1.08072   124.07768   172.11327
   64    62 S   CM   _C13    55     1.33599   110.65334    -9.45908
   65    64 S   CT   _C16    56     1.48916   125.16291  -177.27179
   66    65 S   HC   _H19    57     1.09606   109.48676  -103.71495
   67    65 S   HC   _H20    58     1.09527   111.04212    16.80187
   68    50 S   CT   _C12    78     1.53364   112.80716   151.16025
   69    68 S   HC   _H5_    79     1.09748   109.94146   -81.48075
   70    65 S   OS   _O34    59     1.43429   108.91317   136.79266
   71    70 S   CO4  _C17    60     1.36568   115.85531   173.38186
   72    71 S   O    _O35    61     1.22453   125.65013    12.51654
   73    71 S   CT   _C18    62     1.52901   109.80225  -164.67693
   74    73 S   CT   _C5_    63     1.56281   110.78728    55.39097
   75    74 S   HC   _H3_    64     1.09643   107.69135   -63.26870
   76    73 S   CT   _C19    72     1.53199   108.04381   -69.06932
   77    76 S   HC   _H21    73     1.08769   109.60593   180.00000
   78    76 S   HC   _H22    74     1.08753   109.57885    60.01755
   79    76 S   HC   _H23    75     1.08712   109.61643   -60.04762
   80    73 S   OH   _O36    76     1.42445   107.31191   176.20883
   81    80 S   HO   _H24    77     0.96932   106.50822    59.99299
   82    74 S   CT   _C4_    68     1.53652   112.01493   179.79442
   83    82 S   HC   _H7_    69     1.08526   109.37437   -62.42338
   84    82 S   HC   _H8_    70     1.08563   109.33479   177.56498
   85    82 S   HC   _H9_    71     1.08592   109.34160    57.59888
  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
  13   7   2   1   1  16   5   2   1   1  11  14   5   4  12   2
   1  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    44    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    47    74    44    45    46    48    39    40    41    42  
   38    43    44    39    40    41    42  
   36    37  
   37  
    0  
   43    47    50    73    74    75    44    45    46    82    48    49    39    40    41    42  
   40    41    42    43    44  
   41    42  
   42  
    0  
   47    50    51    52    74    44    45    46    68    48    49  
   45    46    82    83    84    85    76    80    48    47    71    73    74    75  
   46    82    73    74    75  
   82    73    74    75  
   50    51    52    53    54    55    58    64    68    69    48    49  
   49    50  
    0  
   51    52    53    54    55    56    57    58    59    62    64    65    68    69  
   52    53    54    55    58    64    68    69  
   53    54    55    56    57    58    59    64    68    69  
   54    55    56    57    58    68  
   55    56    57    58    68  
   56    57    58    59    60    61    62    64    68    69  
   57    58    59    68  
   58    59    68  
   59    60    61    62    63    64    65    68    69  
   60    61    62    63    64    65    68    69  
   61    62    63    64    68  
   62    63    64    68  
   63    64    65    66    67    70    68    69  
   64    65    68  
   65    66    67    70    71    68    69  
   66    67    70    71    72    73    68    69  
   67    70    71    68  
   70    71    68  
   69    70  
    0  
   71    72    73    74    76    80  
   72    73    74    75    82    76    77    78    79    80    81  
   73    74    76    80  
   74    75    82    83    84    85    76    77    78    79    80    81  
   75    82    83    84    85    76    77    78    79    80    81  
   82    83    84    85    76    80  
   77    78    79    80    81    82  
   78    79    80  
   79    80  
   80  
   81    82  
    0  
   83    84    85  
   84    85  
   85  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   549.000  1.340
   38    44   317.000  1.510
   43    47   440.000  1.360
   43    48   510.000  1.338
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    68   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   382.000  1.448
   58    59   382.000  1.448
   58    68   382.000  1.448
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   317.000  1.510
   64    68   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   320.000  1.410
   70    71   214.000  1.327
   71    72   570.000  1.229
   71    73   317.000  1.522
   73    74   268.000  1.529
   73    76   268.000  1.529
   73    80   320.000  1.410
   74    75   340.000  1.090
   74    44   268.000  1.529
   74    82   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   553.000  0.945
   68    69   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    47    80.00000  120.01400
   38    43    48    80.00000  121.38400
   38    44    74    70.00000  112.02700
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   43    47    50    90.00000  111.18400
   43    48    49    70.00000  107.45700
   47    50    51    35.00000  109.50000
   47    50    52    50.00000  109.50000
   47    50    68    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    68    58    56.20000  109.47000
   50    68    64    70.00000  112.02700
   50    68    69    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    56.20000  109.47000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    51.80000  107.20000
   55    58    68    51.80000  107.20000
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    62    75.00000  110.70900
   58    68    64    75.00000  110.70900
   58    68    69    35.00000  109.50000
   59    62    63    35.00000  117.00000
   59    62    64    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    70.00000  124.00000
   62    64    68    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    70    85.00000  110.90400
   64    68    69    35.00000  109.50000
   65    70    71    83.00000  116.90000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
   70    71    72    83.00000  123.40000
   70    71    73    81.00000  111.40000
   71    73    74    63.00000  111.10000
   71    73    76    63.00000  111.10000
   71    73    80    90.00000  109.61100
   73    71    72    80.00000  120.40000
   73    74    75    37.50000  110.70000
   73    74    44    58.35000  112.70000
   73    74    82    58.35000  112.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    37.50000  110.70000
   73    80    81    55.00000  108.50000
   74    44    45    37.50000  110.70000
   74    44    46    37.50000  110.70000
   74    82    83    37.50000  110.70000
   74    82    84    37.50000  110.70000
   74    82    85    37.50000  110.70000
   44    38    43    70.00000  124.00000
   44    74    75    37.50000  110.70000
   46    44    45    33.00000  107.80000
   82    74    75    37.50000  110.70000
   82    74    44    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   76    73    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    73    74    50.00000  109.50000
   80    73    76    50.00000  109.50000
   68    50    51    37.50000  110.70000
   68    50    52    58.35000  112.70000
   68    58    59    51.80000  107.20000
   68    64    65    65.00000  117.92700
   48    43    47   115.00000  116.36000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  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    47   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    44    74   0.46850  1.0 1.0
   33    38    44    74   0.08550 -1.0 2.0
   33    38    44    74   0.09800  1.0 3.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    44   0.34800  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    47    50  -2.26850  1.0 1.0
   38    43    47    50   3.39050 -1.0 2.0
   38    43    48    49  -0.66100  1.0 1.0
   38    43    48    49   1.20850 -1.0 2.0
   38    43    48    49  -0.36000  1.0 3.0
   43    38    44    74   0.09850  1.0 1.0
   43    38    44    74   0.15250 -1.0 2.0
   43    38    44    74  -0.50650  1.0 3.0
   43    38    44    45   0.00000  1.0 1.0
   43    38    44    46   0.00000  1.0 1.0
   43    47    50    51   0.08050  1.0 3.0
   43    47    50    52  -0.46850  1.0 1.0
   43    47    50    52   0.09300 -1.0 2.0
   43    47    50    52  -0.12850  1.0 3.0
   43    47    50    68  -0.46850  1.0 1.0
   43    47    50    68   0.09300 -1.0 2.0
   43    47    50    68  -0.12850  1.0 3.0
   47    43    48    49   2.00000 -1.0 2.0
   47    50    52    53   0.23400  1.0 3.0
   47    50    52    54   0.23400  1.0 3.0
   47    50    52    55   0.62750  1.0 1.0
   47    50    52    55  -0.30950 -1.0 2.0
   47    50    52    55   0.27300  1.0 3.0
   47    50    68    58   1.74050  1.0 1.0
   47    50    68    64   0.61850  1.0 1.0
   47    50    68    64  -0.22750 -1.0 2.0
   47    50    68    64   0.15300  1.0 3.0
   47    50    68    69   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.53400  1.0 1.0
   50    52   -55    58  -0.09950 -1.0 2.0
   50    52   -55    58   0.05700  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    68    58   0.15000  1.0 3.0
   51    50    68    64   0.15000  1.0 3.0
   51    50    68    69   0.15000  1.0 3.0
   52    50   -68    58   1.53400  1.0 1.0
   52    50   -68    58  -0.09950 -1.0 2.0
   52    50   -68    58   0.05700  1.0 3.0
   52    50    68    64   0.34400  1.0 1.0
   52    50    68    64   0.09450 -1.0 2.0
   52    50    68    64   0.11100  1.0 3.0
   52    50    68    69   0.15000  1.0 3.0
   52    55    58    59   0.23450  1.0 1.0
   52    55    58    59   0.02050 -1.0 2.0
   52    55    58    59   0.25250  1.0 3.0
   52    55   -58    68   0.23450  1.0 1.0
   52    55   -58    68   0.02050 -1.0 2.0
   52    55   -58    68   0.25250  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58    59    60   0.28000  1.0 3.0
   55    58    59    61   0.28000  1.0 3.0
   55    58    59    62  -0.60800  1.0 1.0
   55    58    59    62   1.10050 -1.0 2.0
   55    58    59    62   0.47000  1.0 3.0
   55    58   -68    50   0.23450  1.0 1.0
   55    58   -68    50   0.02050 -1.0 2.0
   55    58   -68    50   0.25250  1.0 3.0
   55    58    68    64  -0.60800  1.0 1.0
   55    58    68    64   1.10050 -1.0 2.0
   55    58    68    64   0.47000  1.0 3.0
   55    58    68    69   0.28000  1.0 3.0
   56    55    58    59   0.28000  1.0 3.0
   56    55    58    68   0.28000  1.0 3.0
   57    55    58    59   0.28000  1.0 3.0
   57    55    58    68   0.28000  1.0 3.0
   58    59    62    63   0.00000  1.0 1.0
   58    59   -62    64   0.90200  1.0 1.0
   58    59   -62    64   0.57900 -1.0 2.0
   58    59   -62    64  -0.62100  1.0 3.0
   59    58    68    50   0.23450  1.0 1.0
   59    58    68    50   0.02050 -1.0 2.0
   59    58    68    50   0.25250  1.0 3.0
   59    58   -68    64  -0.60800  1.0 1.0
   59    58   -68    64   1.10050 -1.0 2.0
   59    58   -68    64   0.47000  1.0 3.0
   59    58    68    69   0.28000  1.0 3.0
   59    62    64    65   7.00000 -1.0 2.0
   59    62   -64    68   7.00000 -1.0 2.0
   60    59    62    63   0.33100  1.0 3.0
   60    59    62    64   0.00000  1.0 1.0
   61    59    62    63   0.33100  1.0 3.0
   61    59    62    64   0.00000  1.0 1.0
   62    64    65    66   0.00000  1.0 1.0
   62    64    65    67   0.00000  1.0 1.0
   62    64    65    70   0.39000  1.0 1.0
   62    64    65    70  -0.05800 -1.0 2.0
   62    64    65    70  -0.55150  1.0 3.0
   62    64    68    50   0.09850  1.0 1.0
   62    64    68    50   0.15250 -1.0 2.0
   62    64    68    50  -0.50650  1.0 3.0
   62    64   -68    58   0.90200  1.0 1.0
   62    64   -68    58   0.57900 -1.0 2.0
   62    64   -68    58  -0.62100  1.0 3.0
   62    64    68    69   0.00000  1.0 1.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    68   7.00000 -1.0 2.0
   64    65    70    71  -0.82050  1.0 1.0
   64    65    70    71   0.00600 -1.0 2.0
   64    65    70    71   0.04400  1.0 3.0
   65    64    68    50   0.46850  1.0 1.0
   65    64    68    50   0.08550 -1.0 2.0
   65    64    68    50   0.09800  1.0 3.0
   65    64    68    58   0.52100  1.0 1.0
   65    64    68    58  -0.20350 -1.0 2.0
   65    64    68    58   0.29750  1.0 3.0
   65    64    68    69   0.34800  1.0 3.0
   65    70    71    72   3.00000 -1.0 2.0
   65    70    71    73   1.63150  1.0 1.0
   65    70    71    73   2.92000 -1.0 2.0
   66    65    70    71   0.08050  1.0 3.0
   67    65    70    71   0.08050  1.0 3.0
   70    71    73    74   0.36750  1.0 3.0
   70    71    73    76   0.36750  1.0 3.0
   70    71    73    80   0.30750  1.0 1.0
   70    71    73    80   1.13850 -1.0 2.0
   70    71    73    80   0.38850  1.0 3.0
   71    73    74    75  -0.11250  1.0 3.0
   71    73    74    44  -0.95700  1.0 1.0
   71    73    74    44  -0.18200 -1.0 2.0
   71    73    74    44   0.29450  1.0 3.0
   71    73    74    82  -0.95700  1.0 1.0
   71    73    74    82  -0.18200 -1.0 2.0
   71    73    74    82   0.29450  1.0 3.0
   71    73    76    77  -0.11250  1.0 3.0
   71    73    76    78  -0.11250  1.0 3.0
   71    73    76    79  -0.11250  1.0 3.0
   71    73    80    81   0.91850  1.0 1.0
   71    73    80    81   0.57950  1.0 3.0
   72    71    73    74   0.30150 -1.0 2.0
   72    71    73    76   0.30150 -1.0 2.0
   72    71    73    80   0.30150 -1.0 2.0
   73    74    44    38   0.34400  1.0 1.0
   73    74    44    38   0.09450 -1.0 2.0
   73    74    44    38   0.11100  1.0 3.0
   73    74    44    45   0.15000  1.0 3.0
   73    74    44    46   0.15000  1.0 3.0
   73    74    82    83   0.15000  1.0 3.0
   73    74    82    84   0.15000  1.0 3.0
   73    74    82    85   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   74    73    80    81  -0.11600  1.0 1.0
   74    73    80    81  -0.09450 -1.0 2.0
   74    73    80    81   0.21250  1.0 3.0
   75    74    44    38   0.15000  1.0 3.0
   75    74    44    45   0.15000  1.0 3.0
   75    74    44    46   0.15000  1.0 3.0
   75    74    82    83   0.15000  1.0 3.0
   75    74    82    84   0.15000  1.0 3.0
   75    74    82    85   0.15000  1.0 3.0
   44    38    43    47   7.00000 -1.0 2.0
   44    38    43    48   7.00000 -1.0 2.0
   44    74    82    83   0.15000  1.0 3.0
   44    74    82    84   0.15000  1.0 3.0
   44    74    82    85   0.15000  1.0 3.0
   82    74    44    38   0.34400  1.0 1.0
   82    74    44    38   0.09450 -1.0 2.0
   82    74    44    38   0.11100  1.0 3.0
   82    74    44    45   0.15000  1.0 3.0
   82    74    44    46   0.15000  1.0 3.0
   76    73    74    75   0.15000  1.0 3.0
   76    73    74    44   0.56750  1.0 1.0
   76    73    74    44  -0.07550 -1.0 2.0
   76    73    74    44   0.20000  1.0 3.0
   76    73    74    82   0.56750  1.0 1.0
   76    73    74    82  -0.07550 -1.0 2.0
   76    73    74    82   0.20000  1.0 3.0
   76    73    80    81  -0.11600  1.0 1.0
   76    73    80    81  -0.09450 -1.0 2.0
   76    73    80    81   0.21250  1.0 3.0
   80    73    74    75   0.23400  1.0 3.0
   80    73    74    44   0.86500  1.0 1.0
   80    73    74    44  -0.17500 -1.0 2.0
   80    73    74    44   0.20800  1.0 3.0
   80    73    74    82   0.86500  1.0 1.0
   80    73    74    82  -0.17500 -1.0 2.0
   80    73    74    82   0.20800  1.0 3.0
   80    73    76    77   0.23400  1.0 3.0
   80    73    76    78   0.23400  1.0 3.0
   80    73    76    79   0.23400  1.0 3.0
   68    50    52    53   0.15000  1.0 3.0
   68    50    52    54   0.15000  1.0 3.0
   68    50   -52    55   0.56750  1.0 1.0
   68    50   -52    55  -0.07550 -1.0 2.0
   68    50   -52    55   0.20000  1.0 3.0
   68    58    59    60   0.28000  1.0 3.0
   68    58    59    61   0.28000  1.0 3.0
   68    58   -59    62  -0.60800  1.0 1.0
   68    58   -59    62   1.10050 -1.0 2.0
   68    58   -59    62   0.47000  1.0 3.0
   68    64    65    66   0.34800  1.0 3.0
   68    64    65    67   0.34800  1.0 3.0
   68    64    65    70   0.09700  1.0 1.0
   68    64    65    70   0.15600 -1.0 2.0
   68    64    65    70  -0.50800  1.0 3.0
   48    43    47    50   2.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  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
   33    44    38    43   1.10000 -1.0 2.0
   47    48    43    38   1.10000 -1.0 2.0
   59    63    62    64   1.10000 -1.0 2.0
   65    68    64    62   1.10000 -1.0 2.0
   70    73    71    72  10.50000 -1.0 2.0
END
