* LIGAND DATABASE FILE (OPLS2005)
*
001      80    84    157    258     440
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02143    68.33466   -99.06745
    3     1 S   H    _H1_     3     1.02103   104.55116     5.55372
    4     1 S   H    _H2_     4     1.02079    44.60490   107.64152
    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     1.08732   110.31229    59.04209
   26    24 S   HC   HB22    34     1.08792   109.70331   178.80204
   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   C3T  _C15    36     1.74000   100.73163  -178.20987
   34    33 S   HC   _H4_    37     1.08563   112.68632   -62.99617
   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   C3T  _C14    38     1.50002   120.36601    79.96992
   39    38 S   HC   _H8_    39     1.08405   117.49799     0.37273
   40    38 S   HC   _H9_    40     1.08423   119.38664  -143.57620
   41    33 S   C3T  _C13    41     1.50042   120.38701   150.83993
   42    41 S   HC   _H3_    42     1.08380   118.83915   144.07366
   43    41 S   NE   _N4_    43     1.49364   118.11556    -1.90526
   44    43 S   CA   _C12    44     1.43076   125.23050    87.40247
   45    44 S   CA   _C7_    45     1.41047   120.94069   179.92598
   46    45 S   CA   _C8_    46     1.40183   120.61173  -179.94065
   47    46 S   HA   _H7_    47     1.08599   121.27810   180.00000
   48    45 S   CO4  _C6_    73     1.48007   121.31173     0.01978
   49    48 S   O    _O33    74     1.22150   122.88456  -179.98022
   50    46 S   CA   _C9_    48     1.39186   120.07723    -0.06561
   51    50 S   F    F1__    49     1.34073   119.38064  -179.98022
   52    48 S   CM   _C5_    75     1.47563   114.47299     0.01978
   53    50 S   CA   _C10    50     1.39136   119.95871     0.06256
   54    43 S   CM   _C4_    76     1.28756   114.60867   -92.59797
   55    54 S   HC   _H6_    77     1.10169   119.67036     0.08623
   56    52 S   CO3  _C22    78     1.50904   120.96834   179.91153
   57    56 S   O2Z  _O35    79     1.26488   115.28868   179.94405
   58    56 S   O2Z  _O34    80     1.26487   115.26033     0.03956
   59    44 S   CA   _C11    51     1.40482   120.71774    -0.05234
   60    59 S   Cl   Cl1_    52     1.75127   127.14227    -0.05935
   61    53 S   NE   _N5_    53     1.38038   117.06829   179.96044
   62    61 S   CT   _C16    54     1.46527   123.95894    89.97276
   63    62 S   HC   _H10    55     1.10005   111.75777    46.80772
   64    62 S   HC   _H11    56     1.10074   109.32077   -72.60747
   65    62 S   CT   _C17    57     1.53485   104.31823   170.10336
   66    65 S   HC   _H5_    58     1.09463   111.68327   149.92872
   67    65 S   C3T  _C18    59     1.50228   103.20582    26.93286
   68    65 S   NP   _N6_    69     1.49440   108.25144   -93.76977
   69    68 S   H    _H18    70     1.02193   110.42384    86.85978
   70    68 S   H    _H19    71     1.02237   110.38399   -33.04966
   71    68 S   H    _H20    72     1.02147   110.44347  -153.07811
   72    67 S   C3T  _C20    60     1.50883   121.64966  -173.99035
   73    72 S   HC   _H14    61     1.08277   118.33545   144.47752
   74    72 S   HC   _H15    62     1.08367   118.67011    -1.13608
   75    61 S   CT   _C19    66     1.46477   123.24986   -80.20845
   76    75 S   HC   _H12    67     1.09954   111.84612    53.00787
   77    75 S   HC   _H13    68     1.09862   109.21285   -67.40131
   78    67 S   C3T  _C21    63     1.51186   119.58711   115.54578
   79    78 S   HC   _H16    64     1.08292   118.67958     4.35532
   80    78 S   HC   _H17    65     1.08370   118.72764  -141.50950
  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   8   5   4   3
   9   6   2   1   1   7   4   3   8   3  11  13  12   9   4   9
   3   7   3   5  11   5   1   2   1   1   4   1  12  14   6   5
  15   8  13   6   2   1   1   8   5   4   5   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    54  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43    44    54  
   40    41    42    43  
   41    42    43  
   42    43    44    45    59    52    54    55  
   43    44    54  
   44    45    46    53    59    60    48    52    54    55    56  
   45    46    47    50    53    59    60    61    48    49    52    54    55  
   46    47    50    51    53    59    60    48    49    52    54    56  
   47    50    51    53    59    61    48    49    52  
   50    51    53    48  
   49    52    54    55    56    57    58    50    59  
   52    54    56  
   51    53    59    60    61    62    75  
   53    59    61  
   54    55    56    57    58  
   59    60    61    62    63    64    65    67    75    76    77  
   55    56    57    58    59  
   56  
   57    58  
   58  
    0  
   60    61    62    75  
   61  
   62    63    64    65    66    67    72    78    75    76    77    68  
   63    64    65    66    67    72    78    75    76    77    68    69    70    71  
   64    65    66    67    75    68  
   65    66    67    75    68  
   66    67    72    73    74    78    79    80    75    76    77    68    69    70    71  
   67    72    78    75    68    69    70    71  
   72    73    74    78    79    80    75    76    77    68    69    70    71  
   69    70    71    72    75    78  
   70    71  
   71  
    0  
   73    74    78    79    80    75    76    77  
   74    78    79    80    75  
   78    79    80    75  
   76    77    78    79    80  
   77    78  
   78  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660  -0.052500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.340500   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   51   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   52   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   61   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   69   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   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  1.088
   33    38   260.000  1.509
   33    41   260.000  1.509
   38    39   340.000  1.088
   38    40   340.000  1.088
   38    41   260.000  1.509
   41    42   340.000  1.088
   41    43   382.000  1.448
   43    44   481.000  1.340
   43    54   425.000  1.378
   44    45   469.000  1.400
   44    59   469.000  1.400
   45    46   469.000  1.400
   45    48   310.000  1.470
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   420.000  1.354
   50    53   469.000  1.400
   53    59   469.000  1.400
   53    61   481.000  1.340
   59    60   300.000  1.725
   61    62   382.000  1.448
   61    75   382.000  1.448
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   275.000  1.510
   65    68   367.000  1.471
   67    72   260.000  1.509
   67    78   260.000  1.509
   67    75   275.000  1.510
   72    73   340.000  1.088
   72    74   340.000  1.088
   72    78   260.000  1.509
   78    79   340.000  1.088
   78    80   340.000  1.088
   75    76   340.000  1.090
   75    77   340.000  1.090
   68    69   434.000  1.010
   68    70   434.000  1.010
   68    71   434.000  1.010
   48    49   570.000  1.229
   48    52   320.000  1.462
   52    54   549.000  1.340
   52    56   230.000  1.545
   54    55   340.000  1.080
   56    57   656.000  1.250
   56    58   656.000  1.250
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    41    75.00000  111.63000
   33    38    39    37.50000  117.20000
   33    38    40    37.50000  117.20000
   33    38    41    10.00000   60.00500
   33    41    38    10.00000   60.00500
   33    41    42    37.50000  117.20000
   33    41    43    70.00000  118.23000
   38    33    34    37.50000  117.20000
   38    41    42    37.50000  117.20000
   38    41    43    70.00000  118.23000
   40    38    39    35.00000  114.30000
   41    33    34    37.50000  117.20000
   41    33    38    10.00000   60.00500
   41    38    39    37.50000  117.20000
   41    38    40    37.50000  117.20000
   41    43    44    50.00000  120.00000
   41    43    54    50.00000  121.00000
   43    41    42    35.00000  109.50000
   43    44    45    70.00000  120.10000
   43    44    59    70.00000  120.10000
   43    54    52    70.00000  124.03900
   43    54    55    50.00000  112.30800
   44    45    46    63.00000  120.00000
   44    45    48    60.00000  119.52600
   44    59    53    63.00000  120.00000
   44    59    60    75.00000  120.00000
   45    46    47    35.00000  120.00000
   45    46    50    63.00000  120.00000
   45    48    49    75.00000  123.78400
   45    48    52    65.00000  117.02400
   46    50    51    80.00000  120.00000
   46    50    53    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    53    59    63.00000  120.00000
   50    53    61    70.00000  120.10000
   53    50    51    80.00000  120.00000
   53    59    60    75.00000  120.00000
   53    61    62    50.00000  120.00000
   53    61    75    50.00000  120.00000
   59    44    45    63.00000  120.00000
   61    53    59    70.00000  120.10000
   61    62    63    35.00000  109.50000
   61    62    64    35.00000  109.50000
   61    62    65    80.00000  111.61500
   61    75    67    80.00000  111.61500
   61    75    76    35.00000  109.50000
   61    75    77    35.00000  109.50000
   62    65    66    37.50000  110.70000
   62    65    67    70.00000  112.37300
   62    65    68    80.00000  111.20000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    72    60.00000  120.94000
   65    67    78    60.00000  120.94000
   65    67    75    58.35000  112.70000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   67    65    66    45.00000  109.38400
   67    72    73    37.50000  117.20000
   67    72    74    37.50000  117.20000
   67    72    78    10.00000   60.00500
   67    78    72    10.00000   60.00500
   67    78    79    37.50000  117.20000
   67    78    80    37.50000  117.20000
   67    75    76    45.00000  109.38400
   67    75    77    45.00000  109.38400
   72    78    79    37.50000  117.20000
   72    78    80    37.50000  117.20000
   74    72    73    35.00000  114.30000
   78    67    72    10.00000   60.00500
   78    72    73    37.50000  117.20000
   78    72    74    37.50000  117.20000
   80    78    79    35.00000  114.30000
   75    61    62    50.00000  115.00000
   75    67    72    60.00000  120.94000
   75    67    78    60.00000  120.94000
   77    75    76    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    80.00000  111.20000
   70    68    69    35.00000  109.50000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   48    45    46    60.00000  119.52600
   48    52    54    65.00000  118.96000
   48    52    56    55.00000  123.68000
   52    48    49    80.00000  123.72100
   52    54    55    35.00000  120.00000
   52    56    57    85.00000  113.83300
   52    56    58    85.00000  113.83300
   54    43    44    75.00000  121.78000
   56    52    54    55.00000  124.75400
   58    56    57    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33   -38    41   0.44750  1.0 1.0
   29    33   -38    41  -0.17800 -1.0 2.0
   29    33   -38    41   0.20200  1.0 3.0
   29    33   -41    38   0.44750  1.0 1.0
   29    33   -41    38  -0.17800 -1.0 2.0
   29    33   -41    38   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.56750  1.0 1.0
   29    33    41    43  -0.07550 -1.0 2.0
   29    33    41    43   0.20000  1.0 3.0
   33    38   -41    42   0.15000  1.0 3.0
   33    38   -41    43   1.26750  1.0 1.0
   33    38   -41    43  -0.00950 -1.0 2.0
   33    38   -41    43   0.30600  1.0 3.0
   33    41    43    44  -0.12500  1.0 1.0
   33    41    43    44  -0.12500 -1.0 2.0
   33    41    43    44   0.25000  1.0 3.0
   33    41    43    54   0.25450  1.0 1.0
   33    41    43    54  -0.61700 -1.0 2.0
   33    41    43    54  -0.23550  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33   -38    41   0.15000  1.0 3.0
   34    33   -41    38   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43   0.22950  1.0 3.0
   38    33   -41    42   0.15000  1.0 3.0
   38    33   -41    43   1.26750  1.0 1.0
   38    33   -41    43  -0.00950 -1.0 2.0
   38    33   -41    43   0.30600  1.0 3.0
   38    41    43    44  -0.12500  1.0 1.0
   38    41    43    44  -0.12500 -1.0 2.0
   38    41    43    44   0.25000  1.0 3.0
   38    41    43    54   0.25450  1.0 1.0
   38    41    43    54  -0.61700 -1.0 2.0
   38    41    43    54  -0.23550  1.0 3.0
   39    38   -41    33   0.15000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.22950  1.0 3.0
   40    38   -41    33   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.22950  1.0 3.0
   41    33   -38    39   0.15000  1.0 3.0
   41    33   -38    40   0.15000  1.0 3.0
   41    43    44    45  -1.00000  1.0 1.0
   41    43    44    45   1.25000 -1.0 2.0
   41    43    44    59  -1.00000  1.0 1.0
   41    43    44    59   1.25000 -1.0 2.0
   41    43    54    52  -0.54700  1.0 1.0
   41    43    54    52   1.23000 -1.0 2.0
   41    43    54    55   0.00000  1.0 1.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    54   0.00000  1.0 1.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    48   3.62500 -1.0 2.0
   43    44    59    53   3.62500 -1.0 2.0
   43    44    59    60   3.62500 -1.0 2.0
   44    43    54    52  -0.54500  1.0 1.0
   44    43    54    52   1.14150 -1.0 2.0
   44    43    54    55   0.00000  1.0 1.0
   44    45    46    47   3.62500 -1.0 2.0
   44    45    46    50   3.62500 -1.0 2.0
   44    45    48    49   1.05000 -1.0 2.0
   44    45   -48    52  -0.11500  1.0 1.0
   44    45   -48    52   1.10450 -1.0 2.0
   44    45   -48    52  -0.48050  1.0 3.0
   45    44    59    53   3.62500 -1.0 2.0
   45    44    59    60   3.62500 -1.0 2.0
   45    46    50    51   3.62500 -1.0 2.0
   45    46   -50    53   3.62500 -1.0 2.0
   45    48    52    54  -1.65800  1.0 1.0
   45    48    52    54   0.77650 -1.0 2.0
   45    48    52    56   1.50000 -1.0 2.0
   46    45    48    49   1.05000 -1.0 2.0
   46    45    48    52  -0.11500  1.0 1.0
   46    45    48    52   1.10450 -1.0 2.0
   46    45    48    52  -0.48050  1.0 3.0
   46    50    53    59   3.62500 -1.0 2.0
   46    50    53    61   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    53   3.62500 -1.0 2.0
   50    53   -59    44   3.62500 -1.0 2.0
   50    53    59    60   3.62500 -1.0 2.0
   50    53    61    62  -1.00000  1.0 1.0
   50    53    61    62   1.25000 -1.0 2.0
   50    53    61    75  -1.00000  1.0 1.0
   50    53    61    75   1.25000 -1.0 2.0
   51    50    53    59   3.62500 -1.0 2.0
   51    50    53    61   3.62500 -1.0 2.0
   53    61    62    63   0.00000  1.0 1.0
   53    61    62    64   0.00000  1.0 1.0
   53    61    62    65  -0.12500  1.0 1.0
   53    61    62    65  -0.12500 -1.0 2.0
   53    61    62    65   0.25000  1.0 3.0
   53    61    75    67  -0.12500  1.0 1.0
   53    61    75    67  -0.12500 -1.0 2.0
   53    61    75    67   0.25000  1.0 3.0
   53    61    75    76   0.00000  1.0 1.0
   53    61    75    77   0.00000  1.0 1.0
   59    44   -45    46   3.62500 -1.0 2.0
   59    44    45    48   3.62500 -1.0 2.0
   59    53    61    62  -1.00000  1.0 1.0
   59    53    61    62   1.25000 -1.0 2.0
   59    53    61    75  -1.00000  1.0 1.0
   59    53    61    75   1.25000 -1.0 2.0
   61    53    59    44   3.62500 -1.0 2.0
   61    53    59    60   3.62500 -1.0 2.0
   61    62    65    66   0.22950  1.0 3.0
   61    62   -65    67   1.26750  1.0 1.0
   61    62   -65    67  -0.00950 -1.0 2.0
   61    62   -65    67   0.30600  1.0 3.0
   61    62    65    68   2.45700  1.0 1.0
   61    62    65    68   1.17300 -1.0 2.0
   62    61   -75    67   0.00000  1.0 1.0
   62    61    75    76   0.00000  1.0 1.0
   62    61    75    77   0.00000  1.0 1.0
   62    65    67    72   0.07850  1.0 1.0
   62    65    67    72  -0.03950 -1.0 2.0
   62    65    67    72   0.67350  1.0 3.0
   62    65    67    78   0.07850  1.0 1.0
   62    65    67    78  -0.03950 -1.0 2.0
   62    65    67    78   0.67350  1.0 3.0
   62    65   -67    75   0.56750  1.0 1.0
   62    65   -67    75  -0.07550 -1.0 2.0
   62    65   -67    75   0.20000  1.0 3.0
   62    65    68    69   0.17350  1.0 3.0
   62    65    68    70   0.17350  1.0 3.0
   62    65    68    71   0.17350  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.19200  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.19200  1.0 3.0
   65    67    72    73   0.15000  1.0 3.0
   65    67    72    74   0.15000  1.0 3.0
   65    67   -72    78   0.07850  1.0 1.0
   65    67   -72    78  -0.03950 -1.0 2.0
   65    67   -72    78   0.67350  1.0 3.0
   65    67   -78    72   0.07850  1.0 1.0
   65    67   -78    72  -0.03950 -1.0 2.0
   65    67   -78    72   0.67350  1.0 3.0
   65    67    78    79   0.15000  1.0 3.0
   65    67    78    80   0.15000  1.0 3.0
   65    67   -75    61   1.26750  1.0 1.0
   65    67   -75    61  -0.00950 -1.0 2.0
   65    67   -75    61   0.30600  1.0 3.0
   65    67    75    76   0.15000  1.0 3.0
   65    67    75    77   0.15000  1.0 3.0
   66    65    67    72   0.15000  1.0 3.0
   66    65    67    78   0.15000  1.0 3.0
   66    65    67    75   0.15000  1.0 3.0
   66    65    68    69   0.13050  1.0 3.0
   66    65    68    70   0.13050  1.0 3.0
   66    65    68    71   0.13050  1.0 3.0
   67    65    68    69   0.17350  1.0 3.0
   67    65    68    70   0.17350  1.0 3.0
   67    65    68    71   0.17350  1.0 3.0
   67    72   -78    79   0.15000  1.0 3.0
   67    72   -78    80   0.15000  1.0 3.0
   72    67   -78    79   0.15000  1.0 3.0
   72    67   -78    80   0.15000  1.0 3.0
   72    67    75    61   1.26750  1.0 1.0
   72    67    75    61  -0.00950 -1.0 2.0
   72    67    75    61   0.30600  1.0 3.0
   72    67    75    76   0.15000  1.0 3.0
   72    67    75    77   0.15000  1.0 3.0
   73    72   -78    67   0.15000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   74    72   -78    67   0.15000  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   78    67   -72    73   0.15000  1.0 3.0
   78    67   -72    74   0.15000  1.0 3.0
   78    67    75    61   1.26750  1.0 1.0
   78    67    75    61  -0.00950 -1.0 2.0
   78    67    75    61   0.30600  1.0 3.0
   78    67    75    76   0.15000  1.0 3.0
   78    67    75    77   0.15000  1.0 3.0
   75    61    62    63   0.00000  1.0 1.0
   75    61    62    64   0.00000  1.0 1.0
   75    61   -62    65   0.00000  1.0 1.0
   75    67    72    73   0.15000  1.0 3.0
   75    67    72    74   0.15000  1.0 3.0
   75    67   -72    78   0.07850  1.0 1.0
   75    67   -72    78  -0.03950 -1.0 2.0
   75    67   -72    78   0.67350  1.0 3.0
   75    67   -78    72   0.07850  1.0 1.0
   75    67   -78    72  -0.03950 -1.0 2.0
   75    67   -78    72   0.67350  1.0 3.0
   75    67    78    79   0.15000  1.0 3.0
   75    67    78    80   0.15000  1.0 3.0
   68    65    67    72   1.36600  1.0 1.0
   68    65    67    72  -0.11450 -1.0 2.0
   68    65    67    72   0.24250  1.0 3.0
   68    65    67    78   1.36600  1.0 1.0
   68    65    67    78  -0.11450 -1.0 2.0
   68    65    67    78   0.24250  1.0 3.0
   68    65    67    75   1.36600  1.0 1.0
   68    65    67    75  -0.11450 -1.0 2.0
   68    65    67    75   0.24250  1.0 3.0
   48    45    46    47   3.62500 -1.0 2.0
   48    45    46    50   3.62500 -1.0 2.0
   48    52   -54    43   7.00000 -1.0 2.0
   48    52    54    55   7.00000 -1.0 2.0
   48    52    56    57   1.68800 -1.0 2.0
   48    52    56    58   1.68800 -1.0 2.0
   49    48    52    54   1.00000 -1.0 2.0
   49    48    52    56   2.50000 -1.0 2.0
   54    43   -44    45   0.70250  1.0 1.0
   54    43   -44    45   1.56150 -1.0 2.0
   54    43    44    59   0.70250  1.0 1.0
   54    43    44    59   1.56150 -1.0 2.0
   54    52    56    57  -0.04000 -1.0 2.0
   54    52    56    57  -0.29050  1.0 3.0
   54    52    56    58  -0.04000 -1.0 2.0
   54    52    56    58  -0.29050  1.0 3.0
   56    52    54    43   7.00000 -1.0 2.0
   56    52    54    55   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   44    54    43    41   1.00000 -1.0 2.0
   45    59    44    43   4.00000 -1.0 2.0
   46    48    45    44   4.00000 -1.0 2.0
   50    47    46    45   1.10000 -1.0 2.0
   53    51    50    46   4.00000 -1.0 2.0
   59    61    53    50   4.00000 -1.0 2.0
   53    60    59    44   4.00000 -1.0 2.0
   75    53    61    62   1.00000 -1.0 2.0
   45    52    48    49  10.50000 -1.0 2.0
   48    56    52    54   1.10000 -1.0 2.0
   43    55    54    52   1.10000 -1.0 2.0
   57    52    56    58  10.50000 -1.0 2.0
END
