* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    144    229     425
    1     0 S   NP   _N1_     1    27.93390    99.27193   -20.71395
    2     1 S   H    _HN1     2     1.02776    91.00168   -96.79135
    3     1 S   H    _H1_     3     1.02958    63.34946    13.28964
    4     1 S   H    _H2_     4     1.02836    55.06046   151.94355
    5     1 S   CT   _CA1     5     1.50129   156.37064    93.22372
    6     5 S   HC   _HA1     6     1.09575   105.21711   107.68024
    7     5 S   CO3  _C1_     7     1.53788   112.37310   -12.51531
    8     7 S   O2Z  _O11     8     1.26366   114.99466   -43.62689
    9     7 S   O2Z  _O12     9     1.26236   114.93254   135.48727
   10     5 S   CT   _CB1    10     1.53099   107.42560  -134.40132
   11    10 S   HC   HB11    11     1.09827   109.33816   -50.48152
   12    10 S   HC   HB12    12     1.09817   110.42060    66.07662
   13    10 S   CT   _CG1    13     1.53018   112.67030  -171.55575
   14    13 S   HC   HG11    14     1.09595   110.48637   -64.32482
   15    13 S   HC   HG12    15     1.09657   109.92055    54.87415
   16    13 S   C    _CD1    16     1.51842   112.32966   175.25005
   17    16 S   O    _OE1    17     1.22748   123.27604     0.22985
   18    16 S   N    _N2_    18     1.38536   111.68448  -179.83807
   19    18 S   H    _HN2    19     1.01570   119.02450     4.77089
   20    18 S   CT1  _CA2    20     1.45916   122.99478   177.81860
   21    20 S   HC   _HA2    21     1.09714   108.96172    22.15814
   22    20 S   C    _C2_    22     1.52833   106.55061   -95.01526
   23    22 S   O    _O2_    23     1.23005   122.85092   -32.55537
   24    20 S   CT   _CB2    32     1.53164   112.04762   145.29089
   25    24 S   HC   HB21    33     1.09551   109.94161    53.06352
   26    24 S   HC   HB22    34     1.09460   110.10732   172.45304
   27    22 S   N    _N3_    24     1.38469   112.71753   149.65449
   28    27 S   H    _HN3    25     1.01643   120.36330     0.07402
   29    24 S   S    _SG2    35     1.82607   110.59518   -67.53412
   30    27 S   CT   _CA3    26     1.45379   122.47656   179.09172
   31    30 S   HC   HA31    27     1.09555   107.33240   -68.96192
   32    30 S   HC   HA32    28     1.09574   108.13675    47.40272
   33    29 S   CT   _C9_    36     1.85009   100.20508   166.15528
   34    33 S   HC   _H4_    37     1.09588   107.72264   -49.58939
   35    30 S   CO3  _C3_    29     1.52905   114.41425   169.67701
   36    35 S   O2Z  _O31    30     1.26326   116.13134     3.38431
   37    35 S   O2Z  _O32    31     1.26471   114.39270  -176.50980
   38    33 S   CM   _C10    38     1.53441   110.74267    72.22240
   39    38 S   CM   _C11    39     1.47810   113.19950    78.94206
   40    38 S   CMA  _C14    58     1.36926   121.60474  -106.09505
   41    40 S   OM   _O36    59     1.26340   128.17551     2.56552
   42    39 S   CM   _C12    40     1.35565   121.10219    28.66009
   43    39 S   OH   _O35    56     1.38095   114.29921  -149.32395
   44    43 S   HO   _H11    57     0.97264   109.20389  -178.51800
   45    40 S   NE   _N4_    60     1.39967   120.62476  -176.24746
   46    45 S   H    _H12    61     1.01803   114.30735    -1.29195
   47    42 S   CM   _C7_    41     1.46565   120.12064     1.08028
   48    45 S   CT1  _C15    62     1.46361   130.96002   173.50852
   49    48 S   HC   _H5_    63     1.09730   110.88139    38.57372
   50    33 S   CM   _C8_    42     1.51612   107.52733  -166.20967
   51    50 S   Cl   Cl1_    43     1.73246   115.34588    87.30961
   52    47 S   CT   _C6_    44     1.50003   114.40892   164.82401
   53    52 S   HC   _H9_    45     1.09388   112.85547   168.88479
   54    52 S   HC   _H10    46     1.09777   108.71504   -71.95546
   55    48 S   CO3  _C23    64     1.54504   105.72549   155.82678
   56    55 S   O2Z  _O38    65     1.26567   116.09991    61.05498
   57    55 S   O2Z  _O37    66     1.26553   114.90369  -119.11312
   58    48 S   CT   _C16    67     1.53389   109.79950   -85.07068
   59    58 S   HC   _H13    68     1.09818   110.40077    51.29492
   60    58 S   HC   _H14    69     1.09822   111.15656   -64.47071
   61    52 S   CT   _C5_    47     1.52041   107.35287    47.88313
   62    61 S   HC   _H3_    48     1.09758   111.71888    57.37487
   63    58 S   CA   _C17    70     1.51042   112.73292   172.03762
   64    61 S   OS   _O34    49     1.44403   109.67855   -62.24910
   65    61 S   CT   _C4_    52     1.52280   111.31818   179.16866
   66    65 S   HC   _H6_    53     1.09566   111.01772    60.16779
   67    65 S   HC   _H7_    54     1.09416   111.32994   -61.16240
   68    65 S   HC   _H8_    55     1.09541   110.36308   178.17608
   69    63 S   CA   _C18    71     1.40176   120.28970   -78.75720
   70    69 S   HA   _H15    72     1.08750   120.17158    -0.38104
   71    42 S   CO4  _C13    50     1.49508   119.90598   179.19741
   72    71 S   O    _O33    51     1.22694   122.61419    -8.32438
   73    69 S   CA   _C19    73     1.39558   120.44816   179.46041
   74    73 S   HA   _H16    74     1.08610   119.91765  -179.98022
   75    73 S   CA   _C20    75     1.39374   120.04650    -0.13706
   76    75 S   HA   _H17    76     1.08601   120.02459  -179.87967
   77    75 S   CA   _C21    77     1.39386   119.95413    -0.07402
   78    77 S   HA   _H18    78     1.08613   120.01871  -179.71264
   79    63 S   CA   _C22    79     1.40109   120.65256   100.36438
   80    79 S   HA   _H19    80     1.08733   120.31811     0.23739
  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
  12   6   2   1   1  13  12  10   3  12   3   1  10   4  11  10
   7   6   1  10   5   4   6   2   1   9   4   3   8   6   9   6
   4   2   1   1   8   4   1   1   6   3   5   3   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    50    51    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    47    50    51    52    43    40    41    45  
   38    39    47    50    51    40  
   36    37  
   37  
    0  
   39    42    47    50    51    71    43    44    40    41    45    46    48  
   42    47    50    52    64    71    72    43    44    40    41    45  
   41    45    46    48    49    55    58    42    43    50  
   45    46    48  
   47    50    51    52    53    54    61    64    71    72    43    44  
   44    47    71  
    0  
   46    48    49    55    56    57    58    59    60    63  
   48    49    55    58  
   50    51    52    53    54    61    62    64    71    72    65  
   49    55    56    57    58    59    60    63    69    79  
   55    56    57    58    59    60    63  
   51    52    53    54    61    71  
   52  
   53    54    61    62    64    71    65    66    67    68  
   54    61    62    64    65  
   61    62    64    65  
   56    57    58    59    60    63  
   57    58  
   58  
   59    60    63    69    70    73    77    79    80  
   60    63    69    79  
   63    69    79  
   62    64    71    72    65    66    67    68  
   64    71    65    66    67    68  
   69    70    73    74    75    77    78    79    80  
   71    72    65    66    67    68  
   66    67    68    71  
   67    68  
   68  
    0  
   70    73    74    75    76    77    79    80  
   73    74    75    79  
   72  
    0  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   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  -0.335000   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.2500   0.1700  -0.998700   1.8650   1.6500   0.051222218  -2.220205820
   46   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.7500   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    50   317.000  1.510
   38    39   380.000  1.444
   38    40   465.000  1.376
   39    42   549.000  1.340
   39    43   510.000  1.338
   42    47   380.000  1.444
   42    71   320.000  1.462
   47    50   549.000  1.340
   47    52   317.000  1.510
   50    51   300.000  1.725
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   268.000  1.529
   61    62   340.000  1.090
   61    64   320.000  1.410
   61    65   268.000  1.529
   64    71   214.000  1.327
   71    72   570.000  1.229
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   43    44   553.000  0.945
   40    41   745.000  1.250
   40    45   415.000  1.382
   45    46   434.000  1.010
   45    48   382.000  1.448
   48    49   340.000  1.090
   48    55   317.000  1.522
   48    58   268.000  1.529
   55    56   656.000  1.250
   55    57   656.000  1.250
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   317.000  1.510
   63    69   469.000  1.400
   63    79   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    50    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    70.00000  124.00000
   33    50    47    70.00000  124.00000
   33    50    51    75.00000  111.02000
   38    33    34    35.00000  109.50000
   38    39    42    70.00000  123.01800
   38    39    43    80.00000  121.38400
   38    40    41    65.00000  137.10300
   38    40    45    75.00000  114.40000
   39    42    47    70.00000  123.01800
   39    42    71    65.00000  118.96000
   39    43    44    70.00000  107.45700
   42    47    50    70.00000  123.01800
   42    47    52    70.00000  124.00000
   42    71    64    90.00000  111.29400
   42    71    72    80.00000  123.72100
   47    50    51    75.00000  121.50000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    61    70.00000  112.02700
   50    33    34    35.00000  109.50000
   50    33    38    70.00000  110.12100
   52    47    50    70.00000  124.00000
   52    61    62    37.50000  110.70000
   52    61    64    50.00000  109.50000
   52    61    65    58.35000  112.70000
   54    52    53    33.00000  107.80000
   61    52    53    37.50000  110.70000
   61    52    54    37.50000  110.70000
   61    64    71    83.00000  116.90000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   64    61    62    35.00000  109.50000
   64    71    72    83.00000  123.40000
   71    42    47    65.00000  118.96000
   65    61    62    37.50000  110.70000
   65    61    64    50.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   43    39    42    80.00000  121.38400
   40    38    39    70.00000  117.34000
   40    45    46    50.00000  121.48000
   40    45    48    50.00000  121.00000
   45    40    41   105.00000  113.92000
   45    48    49    35.00000  109.50000
   45    48    55    63.00000  110.10000
   45    48    58    80.00000  111.61500
   48    45    46    35.00000  112.50000
   48    55    56    70.00000  117.00000
   48    55    57    70.00000  117.00000
   48    58    59    37.50000  110.70000
   48    58    60    37.50000  110.70000
   48    58    63    63.00000  114.00000
   55    48    49    35.00000  109.50000
   57    55    56    80.00000  126.00000
   58    48    49    37.50000  110.70000
   58    48    55    63.00000  111.10000
   58    63    69    70.00000  120.00000
   58    63    79    70.00000  120.00000
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   63    69    70    35.00000  120.00000
   63    69    73    63.00000  120.00000
   63    79    77    63.00000  120.00000
   63    79    80    35.00000  120.00000
   69    73    74    35.00000  120.00000
   69    73    75    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   79    63    69    63.00000  120.00000
   79    77    78    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    50    47   0.42700  1.0 1.0
   29    33    50    47  -0.70350 -1.0 2.0
   29    33    50    47  -0.43150  1.0 3.0
   29    33    50    51   0.09700  1.0 1.0
   29    33    50    51   0.15600 -1.0 2.0
   29    33    50    51  -0.50800  1.0 3.0
   33    38    39    42  -0.18600  1.0 3.0
   33    38    39    43   1.08500 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    45   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    50    47   0.00000  1.0 1.0
   34    33    50    51   0.00000  1.0 1.0
   38    33    50    47  -0.28300  1.0 1.0
   38    33    50    47   0.26700 -1.0 2.0
   38    33    50    47  -0.63300  1.0 3.0
   38    33    50    51   0.09700  1.0 1.0
   38    33    50    51   0.15600 -1.0 2.0
   38    33    50    51  -0.50800  1.0 3.0
   38    39   -42    47   7.00000 -1.0 2.0
   38    39    42    71   7.00000 -1.0 2.0
   38    39    43    44  -0.66100  1.0 1.0
   38    39    43    44   1.20850 -1.0 2.0
   38    39    43    44  -0.36000  1.0 3.0
   38    40    45    46   1.00000 -1.0 2.0
   38    40    45    48  -0.54700  1.0 1.0
   38    40    45    48   1.23000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    45   7.00000 -1.0 2.0
   39    42    47    50   0.28850  1.0 1.0
   39    42    47    50   2.61350 -1.0 2.0
   39    42    47    50   0.78400  1.0 3.0
   39    42    47    52  -0.18600  1.0 3.0
   39    42    71    64  -0.56150  1.0 1.0
   39    42    71    64   2.19150 -1.0 2.0
   39    42    71    72   1.00000 -1.0 2.0
   42    39    43    44  -0.66100  1.0 1.0
   42    39    43    44   1.20850 -1.0 2.0
   42    39    43    44  -0.36000  1.0 3.0
   42    47   -50    33   7.00000 -1.0 2.0
   42    47    50    51   7.00000 -1.0 2.0
   42    47    52    53   0.00000  1.0 1.0
   42    47    52    54   0.00000  1.0 1.0
   42    47    52    61   0.98200  1.0 1.0
   42    47    52    61  -0.11900 -1.0 2.0
   42    47    52    61   0.24250  1.0 3.0
   47    42    71    64  -0.56150  1.0 1.0
   47    42    71    64   2.19150 -1.0 2.0
   47    42    71    72   1.00000 -1.0 2.0
   47    52    61    62   0.15000  1.0 3.0
   47    52   -61    64   0.61850  1.0 1.0
   47    52   -61    64  -0.22750 -1.0 2.0
   47    52   -61    64   0.15300  1.0 3.0
   47    52    61    65   0.34400  1.0 1.0
   47    52    61    65   0.09450 -1.0 2.0
   47    52    61    65   0.11100  1.0 3.0
   50    33   -38    39  -0.28300  1.0 1.0
   50    33   -38    39   0.26700 -1.0 2.0
   50    33   -38    39  -0.63300  1.0 3.0
   50    33    38    40  -0.28300  1.0 1.0
   50    33    38    40   0.26700 -1.0 2.0
   50    33    38    40  -0.63300  1.0 3.0
   50    47    52    53   0.00000  1.0 1.0
   50    47    52    54   0.00000  1.0 1.0
   50    47    52    61   0.09850  1.0 1.0
   50    47    52    61   0.15250 -1.0 2.0
   50    47    52    61  -0.50650  1.0 3.0
   52    47    50    33   7.00000 -1.0 2.0
   52    47    50    51   7.00000 -1.0 2.0
   52    61    64    71  -0.25900  1.0 1.0
   52    61    64    71  -0.47000 -1.0 2.0
   52    61    64    71   0.11750  1.0 3.0
   52    61    65    66   0.15000  1.0 3.0
   52    61    65    67   0.15000  1.0 3.0
   52    61    65    68   0.15000  1.0 3.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    64   0.23400  1.0 3.0
   53    52    61    65   0.15000  1.0 3.0
   54    52    61    62   0.15000  1.0 3.0
   54    52    61    64   0.23400  1.0 3.0
   54    52    61    65   0.15000  1.0 3.0
   61    64   -71    42   2.00000 -1.0 2.0
   61    64    71    72   3.00000 -1.0 2.0
   62    61    64    71   0.08050  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   64    61    65    66   0.23400  1.0 3.0
   64    61    65    67   0.23400  1.0 3.0
   64    61    65    68   0.23400  1.0 3.0
   71    42    47    50  -0.18600  1.0 3.0
   71    42   -47    52   1.08500 -1.0 2.0
   65    61    64    71  -0.25900  1.0 1.0
   65    61    64    71  -0.47000 -1.0 2.0
   65    61    64    71   0.11750  1.0 3.0
   43    39    42    47   7.00000 -1.0 2.0
   43    39    42    71   7.00000 -1.0 2.0
   40    38    39    42   0.28850  1.0 1.0
   40    38    39    42   2.61350 -1.0 2.0
   40    38    39    42   0.78400  1.0 3.0
   40    38    39    43   0.50950  1.0 1.0
   40    38    39    43   0.56650 -1.0 2.0
   40    38    39    43   0.34050  1.0 3.0
   40    45    48    49   0.00000  1.0 1.0
   40    45    48    55  -0.12500  1.0 1.0
   40    45    48    55  -0.12500 -1.0 2.0
   40    45    48    55   0.25000  1.0 3.0
   40    45    48    58   0.25450  1.0 1.0
   40    45    48    58  -0.61700 -1.0 2.0
   40    45    48    58  -0.23550  1.0 3.0
   41    40    45    46   1.00000 -1.0 2.0
   41    40    45    48   1.00000 -1.0 2.0
   45    48    55    56   0.00000  1.0 1.0
   45    48    55    57   0.00000  1.0 1.0
   45    48    58    59   0.22950  1.0 3.0
   45    48    58    60   0.22950  1.0 3.0
   45    48    58    63   0.42250  1.0 1.0
   45    48    58    63  -0.48100 -1.0 2.0
   45    48    58    63   0.35650  1.0 3.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    55   0.00000  1.0 1.0
   46    45    48    58   0.00000  1.0 1.0
   48    58    63    69   0.00000  1.0 1.0
   48    58    63    79   0.00000  1.0 1.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    57   0.00000  1.0 1.0
   49    48    58    59   0.15000  1.0 3.0
   49    48    58    60   0.15000  1.0 3.0
   49    48    58    63   0.23100  1.0 3.0
   55    48    58    59  -0.03800  1.0 3.0
   55    48    58    60  -0.03800  1.0 3.0
   55    48    58    63  -0.84850  1.0 1.0
   55    48    58    63  -0.22800 -1.0 2.0
   55    48    58    63   0.29250  1.0 3.0
   58    48    55    56   0.00000  1.0 1.0
   58    48    55    57   0.00000  1.0 1.0
   58    63    69    70   3.62500 -1.0 2.0
   58    63    69    73   3.62500 -1.0 2.0
   58    63    79    77   3.62500 -1.0 2.0
   58    63    79    80   3.62500 -1.0 2.0
   59    58    63    69   0.00000  1.0 1.0
   59    58    63    79   0.00000  1.0 1.0
   60    58    63    69   0.00000  1.0 1.0
   60    58    63    79   0.00000  1.0 1.0
   63    69    73    74   3.62500 -1.0 2.0
   63    69    73    75   3.62500 -1.0 2.0
   69    63    79    77   3.62500 -1.0 2.0
   69    63    79    80   3.62500 -1.0 2.0
   69    73    75    76   3.62500 -1.0 2.0
   69    73   -75    77   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   70    69    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -79    63   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    63   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    63    69    70   3.62500 -1.0 2.0
   79    63   -69    73   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   38    43    39    42   1.10000 -1.0 2.0
   47    71    42    39   1.10000 -1.0 2.0
   42    52    47    50   1.10000 -1.0 2.0
   33    51    50    47   1.10000 -1.0 2.0
   42    64    71    72  10.50000 -1.0 2.0
   45    41    40    38   1.10000 -1.0 2.0
   46    40    45    48   1.00000 -1.0 2.0
   56    48    55    57  10.50000 -1.0 2.0
   69    79    63    58   4.00000 -1.0 2.0
   73    70    69    63   1.10000 -1.0 2.0
   75    74    73    69   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    63   1.10000 -1.0 2.0
END
