* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    158    245     465
    1     0 S   NP   _N1_     1    28.99204    97.35711   -20.62591
    2     1 S   H    _HN1     2     1.02772    90.23989   -92.53475
    3     1 S   H    _H1_     3     1.02953    70.56571    16.98354
    4     1 S   H    _H2_     4     1.02821    48.58704   153.38461
    5     1 S   CT   _CA1     5     1.50135   154.77012   113.51499
    6     5 S   HC   _HA1     6     1.09570   105.17003    90.05032
    7     5 S   CO3  _C1_     7     1.53892   112.61239   -30.05591
    8     7 S   O2Z  _O11     8     1.26368   114.83061   -36.29422
    9     7 S   O2Z  _O12     9     1.26267   115.02860   142.80472
   10     5 S   CT   _CB1    10     1.53113   107.39102  -151.85620
   11    10 S   HC   HB11    11     1.09818   109.53951   -48.79576
   12    10 S   HC   HB12    12     1.09810   110.40613    67.98620
   13    10 S   CT   _CG1    13     1.52815   112.36703  -169.74610
   14    13 S   HC   HG11    14     1.09561   110.34461   -65.70657
   15    13 S   HC   HG12    15     1.09673   109.83246    53.36601
   16    13 S   C    _CD1    16     1.51768   112.67518   174.23401
   17    16 S   O    _OE1    17     1.22672   123.50732     7.73183
   18    16 S   N    _N2_    18     1.38486   111.23814  -172.97800
   19    18 S   H    _HN2    19     1.01659   118.67687     2.24463
   20    18 S   CT1  _CA2    20     1.46040   124.18400  -178.44783
   21    20 S   HC   _HA2    21     1.09725   109.45638     0.54321
   22    20 S   C    _C2_    22     1.53451   108.53891  -115.14097
   23    22 S   O    _O2_    23     1.23056   122.32522  -147.32106
   24    20 S   CT   _CB2    32     1.53503   110.85981   122.64220
   25    24 S   HC   HB21    33     1.09392   109.67783    54.01398
   26    24 S   HC   HB22    34     1.09483   110.18045   172.91565
   27    22 S   N    _N3_    24     1.38370   113.64054    40.33174
   28    27 S   H    _HN3    25     1.01606   119.54402    -4.11214
   29    24 S   S    _SG2    35     1.82990   111.05000   -68.17944
   30    27 S   CT   _CA3    26     1.45285   123.10854   176.86144
   31    30 S   HC   HA31    27     1.09558   107.58354   -61.68840
   32    30 S   HC   HA32    28     1.09559   107.86297    54.68750
   33    29 S   CT   _C14    36     1.86373   102.55618   157.71049
   34    30 S   CO3  _C3_    29     1.52941   114.18956   176.57097
   35    34 S   O2Z  _O31    30     1.26364   116.09790    -2.33238
   36    34 S   O2Z  _O32    31     1.26443   114.40326   177.71210
   37    33 S   CT   _C13    37     1.58433   107.08249   161.86877
   38    37 S   HC   _H15    38     1.10094   107.21135   -53.03479
   39    37 S   HC   _H16    39     1.10073   107.08833  -165.11342
   40    33 S   CT   _C15    61     1.58284   114.67603   -72.68471
   41    40 S   HC   _H5_    62     1.09534   105.88622  -150.63234
   42    33 S   CT   _C21    82     1.55500   107.66038    50.41290
   43    42 S   HC   _H20    83     1.09419   113.28532   -65.32770
   44    42 S   HC   _H21    84     1.09708   110.45247   175.27802
   45    42 S   HC   _H22    85     1.09686   111.74893    56.26336
   46    37 S   CT   _C12    40     1.54224   124.29348    71.08545
   47    46 S   HC   _H4_    41     1.09706   108.14436  -173.86167
   48    40 S   OH   _O37    63     1.43389   110.60623    96.88751
   49    48 S   HO   _H19    64     0.97211   107.96256   169.39529
   50    46 S   CM   _C11    42     1.47473   114.88609    64.39015
   51    50 S   HC   _H14    43     1.08106   124.03906    52.08959
   52    50 S   CM   _C10    44     1.32995   110.93215  -121.41350
   53    52 S   CO4  _C22    45     1.46962   106.61167    -5.58427
   54    53 S   O    _O39    46     1.21810   125.65797  -176.20873
   55    52 S   CT   _C9_    48     1.48109   128.22250   168.49636
   56    55 S   HC   _H12    49     1.09884   109.59367    22.12318
   57    55 S   HC   _H13    50     1.09667   109.28428   136.14606
   58    46 S   OS   _O38    47     1.42805   113.30165   -55.10333
   59    55 S   CT   _C8_    51     1.55409   114.59084  -100.06776
   60    59 S   HC   _H3_    52     1.09874   110.46467   -70.67665
   61    59 S   CT   _C17    53     1.56381   113.60168    52.58160
   62    61 S   HC   _H7_    54     1.09698   108.47214    45.74142
   63    59 S   OS   _O34    68     1.45267   106.54883   170.96673
   64    61 S   CM   _C18    55     1.49409   113.67258   167.99245
   65    63 S   CO4  _C7_    69     1.36061   117.62626    80.66690
   66    65 S   O    _O33    70     1.21831   126.75806    -2.82861
   67    64 S   CO4  _C20    56     1.46980   110.20150   103.62605
   68    67 S   O    _O35    57     1.21710   127.36613  -170.77003
   69    64 S   CM   _C19    65     1.33638   128.36394   -80.82287
   70    69 S   HC   _H17    66     1.08495   120.83379     2.29882
   71    69 S   HC   _H18    67     1.08519   121.80758  -177.76963
   72    65 S   CM   _C6_    71     1.48221   107.10559   176.73301
   73    72 S   HC   _H11    72     1.08765   115.05101   -19.29757
   74    67 S   OS   _O36    58     1.35689   106.97573     9.65580
   75    72 S   CM   _C5_    73     1.34556   125.57800   162.05816
   76    61 S   CT   _C16    59     1.54310   112.50995   -78.57101
   77    76 S   HC   _H6_    60     1.08419   109.98968     9.02356
   78    75 S   CT   _C4_    74     1.50712   119.79286   177.27473
   79    78 S   HC   _H8_    75     1.09498   110.31986   118.41592
   80    78 S   HC   _H9_    76     1.09520   112.45177    -1.75055
   81    78 S   HC   _H10    77     1.09505   110.16521  -121.74543
   82    75 S   CT   _C23    78     1.50338   126.18200    -3.28503
   83    82 S   HC   _H23    79     1.09453   110.14811   104.54372
   84    82 S   HC   _H24    80     1.09160   113.53568   -17.53559
   85    82 S   HC   _H25    81     1.09585   110.12724  -136.24732
  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  13   5   4   3
  19   2   1   1  17   7   6  16   7   6   2   1   1   8   5   5
   1   9   4  10   6   2  11   5   4   1  13   6  12   7   7   8
   6   3   7   3   4   1   1  10   3   2   8   1   1   7   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    76    40    41    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    50    58    61    74    76    77    40    41    48    49    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    50    51    52    53    58    76    40    41    48    42    43    44    45  
   39    46    47    50    58    40    42  
   46    47    50    58    40    42  
   41    48    49    42    43    44    45    46    59    61    62    64    67    74    76    77  
   48    49    42    61    74    76    77  
   43    44    45    46    48    76  
   44    45  
   45  
    0  
   47    50    51    52    53    54    58    55  
   50    51    52    53    58  
   49    61    74    76    77  
   76  
   51    52    53    54    58    55    56    57    59  
   52    53    58    55  
   53    54    58    55    56    57    59    60    61    63  
   54    58    55    56    57    59  
   58    55  
   56    57    59    60    61    62    64    76    63    65    58  
   57    59    60    61    63  
   59    60    61    63  
    0  
   60    61    62    64    67    74    76    77    69    63    65    66    72  
   61    62    64    76    63    65  
   62    64    67    68    74    76    77    69    70    71    63    65  
   64    67    74    76    77    69    63  
   65    66    72    73    75    64    76  
   67    68    74    76    77    69    70    71  
   66    72    73    75    78    82  
   72    73    75  
   68    74    76    77    69    70    71  
   74    76    69  
   70    71    74    76  
   71  
    0  
   73    75    78    79    80    81    82    83    84    85  
   75    78    82  
   76    77  
   78    79    80    81    82    83    84    85  
   77  
    0  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    58   320.000  1.410
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   320.000  1.462
   52    55   317.000  1.510
   53    54   570.000  1.229
   53    58   214.000  1.327
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   320.000  1.410
   61    62   340.000  1.090
   61    64   317.000  1.510
   61    76   268.000  1.529
   64    67   320.000  1.462
   64    69   549.000  1.340
   67    68   570.000  1.229
   67    74   214.000  1.327
   74    76   320.000  1.410
   76    77   340.000  1.090
   76    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   69    70   340.000  1.080
   69    71   340.000  1.080
   63    65   214.000  1.327
   65    66   570.000  1.229
   65    72   320.000  1.462
   72    73   340.000  1.080
   72    75   549.000  1.340
   75    78   317.000  1.510
   75    82   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    76    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    50    70.00000  112.02700
   37    46    58    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    50    51    35.00000  117.00000
   46    50    52    70.00000  124.00000
   46    58    53    83.00000  116.90000
   50    46    47    35.00000  109.50000
   50    52    53    65.00000  118.96000
   50    52    55    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    80.00000  123.72100
   52    53    58    90.00000  111.29400
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    59    70.00000  112.02700
   58    46    47    35.00000  109.50000
   58    46    50    85.00000  110.90400
   58    53    54    83.00000  123.40000
   55    52    53    65.00000  116.34900
   55    59    60    37.50000  110.70000
   55    59    61    58.35000  112.70000
   55    59    63    50.00000  109.50000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    64    70.00000  112.02700
   59    61    76    58.35000  112.70000
   59    63    65    83.00000  116.90000
   61    59    60    37.50000  110.70000
   61    64    67    65.00000  116.34900
   61    64    69    70.00000  124.00000
   61    76    74    50.00000  109.50000
   61    76    77    37.50000  110.70000
   61    76    40    58.35000  112.70000
   64    61    62    35.00000  109.50000
   64    67    68    80.00000  123.72100
   64    67    74    90.00000  111.29400
   64    69    70    35.00000  120.00000
   64    69    71    35.00000  120.00000
   67    74    76    83.00000  116.90000
   74    67    68    83.00000  123.40000
   74    76    77    35.00000  109.50000
   74    76    40    50.00000  109.50000
   76    61    62    37.50000  110.70000
   76    61    64    70.00000  112.02700
   76    40    41    37.50000  110.70000
   76    40    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    76    77    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   69    64    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   63    59    60    35.00000  109.50000
   63    59    61    50.00000  109.50000
   63    65    66    83.00000  123.40000
   63    65    72    90.00000  111.29400
   65    72    73    40.00000  117.72500
   65    72    75    65.00000  118.96000
   72    65    66    80.00000  123.72100
   72    75    78    70.00000  124.00000
   72    75    82    70.00000  124.00000
   75    72    73    35.00000  120.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   75    82    83    35.00000  109.50000
   75    82    84    35.00000  109.50000
   75    82    85    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    75    78    65.00000  117.92700
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    76   0.44750  1.0 1.0
   29    33    40    76  -0.17800 -1.0 2.0
   29    33    40    76   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    50   0.34400  1.0 1.0
   33    37    46    50   0.09450 -1.0 2.0
   33    37    46    50   0.11100  1.0 3.0
   33    37    46    58   0.62750  1.0 1.0
   33    37    46    58  -0.30950 -1.0 2.0
   33    37    46    58   0.27300  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   37    33    40    76   0.56750  1.0 1.0
   37    33    40    76  -0.07550 -1.0 2.0
   37    33    40    76   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    50    51   0.00000  1.0 1.0
   37    46    50    52   0.09850  1.0 1.0
   37    46    50    52   0.15250 -1.0 2.0
   37    46    50    52  -0.50650  1.0 3.0
   37    46    58    53  -0.25900  1.0 1.0
   37    46    58    53  -0.47000 -1.0 2.0
   37    46    58    53   0.11750  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    50   0.15000  1.0 3.0
   38    37    46    58   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    50   0.15000  1.0 3.0
   39    37    46    58   0.23400  1.0 3.0
   46    50   -52    53   7.00000 -1.0 2.0
   46    50    52    55   7.00000 -1.0 2.0
   47    46    50    51   0.33100  1.0 3.0
   47    46    50    52   0.00000  1.0 1.0
   47    46    58    53   0.08050  1.0 3.0
   50    46   -58    53  -0.82050  1.0 1.0
   50    46   -58    53   0.00600 -1.0 2.0
   50    46   -58    53   0.04400  1.0 3.0
   50    52    53    54   1.00000 -1.0 2.0
   50    52   -53    58  -0.56150  1.0 1.0
   50    52   -53    58   2.19150 -1.0 2.0
   50    52    55    56   0.00000  1.0 1.0
   50    52    55    57   0.00000  1.0 1.0
   50    52    55    59   0.09850  1.0 1.0
   50    52    55    59   0.15250 -1.0 2.0
   50    52    55    59  -0.50650  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    55   7.00000 -1.0 2.0
   52    53   -58    46   2.00000 -1.0 2.0
   52    55    59    60   0.15000  1.0 3.0
   52    55    59    61   0.34400  1.0 1.0
   52    55    59    61   0.09450 -1.0 2.0
   52    55    59    61   0.11100  1.0 3.0
   52    55    59    63   0.61850  1.0 1.0
   52    55    59    63  -0.22750 -1.0 2.0
   52    55    59    63   0.15300  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    59   0.09700  1.0 1.0
   53    52    55    59   0.15600 -1.0 2.0
   53    52    55    59  -0.50800  1.0 3.0
   54    53    58    46   3.00000 -1.0 2.0
   58    46    50    51   0.00000  1.0 1.0
   58    46   -50    52   0.39000  1.0 1.0
   58    46   -50    52  -0.05800 -1.0 2.0
   58    46   -50    52  -0.55150  1.0 3.0
   55    52    53    54  -0.64400  1.0 1.0
   55    52    53    54   0.26850 -1.0 2.0
   55    52    53    58  -0.15000  1.0 1.0
   55    52    53    58   0.89550 -1.0 2.0
   55    52    53    58  -0.06900  1.0 3.0
   55    59    61    62   0.15000  1.0 3.0
   55    59    61    64   0.34400  1.0 1.0
   55    59    61    64   0.09450 -1.0 2.0
   55    59    61    64   0.11100  1.0 3.0
   55    59    61    76   0.56750  1.0 1.0
   55    59    61    76  -0.07550 -1.0 2.0
   55    59    61    76   0.20000  1.0 3.0
   55    59    63    65  -0.25900  1.0 1.0
   55    59    63    65  -0.47000 -1.0 2.0
   55    59    63    65   0.11750  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    63   0.23400  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    63   0.23400  1.0 3.0
   59    61    64    67   0.09700  1.0 1.0
   59    61    64    67   0.15600 -1.0 2.0
   59    61    64    67  -0.50800  1.0 3.0
   59    61    64    69   0.09850  1.0 1.0
   59    61    64    69   0.15250 -1.0 2.0
   59    61    64    69  -0.50650  1.0 3.0
   59    61    76    74   0.62750  1.0 1.0
   59    61    76    74  -0.30950 -1.0 2.0
   59    61    76    74   0.27300  1.0 3.0
   59    61    76    77   0.15000  1.0 3.0
   59    61    76    40   0.56750  1.0 1.0
   59    61    76    40  -0.07550 -1.0 2.0
   59    61    76    40   0.20000  1.0 3.0
   59    63    65    66   3.00000 -1.0 2.0
   59    63    65    72   2.00000 -1.0 2.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    61    76   0.15000  1.0 3.0
   60    59    63    65   0.08050  1.0 3.0
   61    59    63    65  -0.25900  1.0 1.0
   61    59    63    65  -0.47000 -1.0 2.0
   61    59    63    65   0.11750  1.0 3.0
   61    64    67    68  -0.64400  1.0 1.0
   61    64    67    68   0.26850 -1.0 2.0
   61    64   -67    74  -0.15000  1.0 1.0
   61    64   -67    74   0.89550 -1.0 2.0
   61    64   -67    74  -0.06900  1.0 3.0
   61    64    69    70   7.00000 -1.0 2.0
   61    64    69    71   7.00000 -1.0 2.0
   61    76    40    33   0.56750  1.0 1.0
   61    76    40    33  -0.07550 -1.0 2.0
   61    76    40    33   0.20000  1.0 3.0
   61    76    40    41   0.15000  1.0 3.0
   61    76    40    48   0.86500  1.0 1.0
   61    76    40    48  -0.17500 -1.0 2.0
   61    76    40    48   0.20800  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    61    64    69   0.00000  1.0 1.0
   62    61    76    74   0.23400  1.0 3.0
   62    61    76    77   0.15000  1.0 3.0
   62    61    76    40   0.15000  1.0 3.0
   64    61   -76    74   0.61850  1.0 1.0
   64    61   -76    74  -0.22750 -1.0 2.0
   64    61   -76    74   0.15300  1.0 3.0
   64    61    76    77   0.15000  1.0 3.0
   64    61    76    40   0.34400  1.0 1.0
   64    61    76    40   0.09450 -1.0 2.0
   64    61    76    40   0.11100  1.0 3.0
   64    67   -74    76   2.00000 -1.0 2.0
   67    64    69    70   7.00000 -1.0 2.0
   67    64    69    71   7.00000 -1.0 2.0
   67    74   -76    61  -0.25900  1.0 1.0
   67    74   -76    61  -0.47000 -1.0 2.0
   67    74   -76    61   0.11750  1.0 3.0
   67    74    76    77   0.08050  1.0 3.0
   67    74    76    40  -0.25900  1.0 1.0
   67    74    76    40  -0.47000 -1.0 2.0
   67    74    76    40   0.11750  1.0 3.0
   68    67    74    76   3.00000 -1.0 2.0
   74    76    40    33   0.62750  1.0 1.0
   74    76    40    33  -0.30950 -1.0 2.0
   74    76    40    33   0.27300  1.0 3.0
   74    76    40    41   0.23400  1.0 3.0
   74    76    40    48   3.69350  1.0 1.0
   74    76    40    48  -1.82950 -1.0 2.0
   76    61   -64    67   0.09700  1.0 1.0
   76    61   -64    67   0.15600 -1.0 2.0
   76    61   -64    67  -0.50800  1.0 3.0
   76    61    64    69   0.09850  1.0 1.0
   76    61    64    69   0.15250 -1.0 2.0
   76    61    64    69  -0.50650  1.0 3.0
   76    40    48    49  -0.11600  1.0 1.0
   76    40    48    49  -0.09450 -1.0 2.0
   76    40    48    49   0.21250  1.0 3.0
   77    76    40    33   0.15000  1.0 3.0
   77    76    40    41   0.15000  1.0 3.0
   77    76    40    48   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   69    64    67    68   1.00000 -1.0 2.0
   69    64    67    74  -0.56150  1.0 1.0
   69    64    67    74   2.19150 -1.0 2.0
   63    59    61    62   0.23400  1.0 3.0
   63    59    61    64   0.61850  1.0 1.0
   63    59    61    64  -0.22750 -1.0 2.0
   63    59    61    64   0.15300  1.0 3.0
   63    59    61    76   0.62750  1.0 1.0
   63    59    61    76  -0.30950 -1.0 2.0
   63    59    61    76   0.27300  1.0 3.0
   63    65    72    73   1.63100 -1.0 2.0
   63    65    72    75  -0.56150  1.0 1.0
   63    65    72    75   2.19150 -1.0 2.0
   65    72    75    78   7.00000 -1.0 2.0
   65    72    75    82   7.00000 -1.0 2.0
   66    65    72    73   0.00000  1.0 1.0
   66    65    72    75   1.00000 -1.0 2.0
   72    75    78    79   0.00000  1.0 1.0
   72    75    78    80   0.00000  1.0 1.0
   72    75    78    81   0.00000  1.0 1.0
   72    75    82    83   0.00000  1.0 1.0
   72    75    82    84   0.00000  1.0 1.0
   72    75    82    85   0.00000  1.0 1.0
   73    72    75    78   7.00000 -1.0 2.0
   73    72    75    82   7.00000 -1.0 2.0
   78    75    82    83   0.34800  1.0 3.0
   78    75    82    84   0.34800  1.0 3.0
   78    75    82    85   0.34800  1.0 3.0
   82    75    78    79   0.34800  1.0 3.0
   82    75    78    80   0.34800  1.0 3.0
   82    75    78    81   0.34800  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    76   0.56750  1.0 1.0
   42    33    40    76  -0.07550 -1.0 2.0
   42    33    40    76   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   46    51    50    52   1.10000 -1.0 2.0
   53    55    52    50   1.10000 -1.0 2.0
   52    58    53    54  10.50000 -1.0 2.0
   61    67    64    69   1.10000 -1.0 2.0
   64    74    67    68  10.50000 -1.0 2.0
   70    71    69    64   1.10000 -1.0 2.0
   63    72    65    66  10.50000 -1.0 2.0
   65    73    72    75  15.00000 -1.0 2.0
   78    82    75    72  15.00000 -1.0 2.0
END
