* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    145    226     433
    1     0 S   NP   _N1_     1    28.68480    96.56569   -23.10137
    2     1 S   H    _HN1     2     1.02786   102.56526   -89.31303
    3     1 S   H    _H1_     3     1.02952    70.45985    15.95539
    4     1 S   H    _H2_     4     1.02829    41.07271   167.78671
    5     1 S   CT   _CA1     5     1.50109   142.08462   114.37640
    6     5 S   HC   _HA1     6     1.09574   105.20296    93.57279
    7     5 S   CO3  _C1_     7     1.53792   112.46140   -26.67823
    8     7 S   O2Z  _O11     8     1.26372   115.01067   -42.74575
    9     7 S   O2Z  _O12     9     1.26244   114.94644   136.41734
   10     5 S   CT   _CB1    10     1.53082   107.42157  -148.44057
   11    10 S   HC   HB11    11     1.09833   109.38410   -49.75883
   12    10 S   HC   HB12    12     1.09814   110.44119    66.84964
   13    10 S   CT   _CG1    13     1.52988   112.60084  -170.73889
   14    13 S   HC   HG11    14     1.09583   110.62260   -65.34448
   15    13 S   HC   HG12    15     1.09670   109.79620    53.88598
   16    13 S   C    _CD1    16     1.51799   112.23892   174.34639
   17    16 S   O    _OE1    17     1.22730   123.29360     6.41927
   18    16 S   N    _N2_    18     1.38654   111.66295  -173.68379
   19    18 S   H    _HN2    19     1.01579   118.93265     1.79994
   20    18 S   CT1  _CA2    20     1.46193   123.39109   177.59580
   21    20 S   HC   _HA2    21     1.09734   109.38398     2.45144
   22    20 S   C    _C2_    22     1.53550   108.55279  -113.05700
   23    22 S   O    _O2_    23     1.23057   122.29933  -147.39295
   24    20 S   CT   _CB2    32     1.53312   111.60460   124.49231
   25    24 S   HC   HB21    33     1.09591   110.08110    56.33932
   26    24 S   HC   HB22    34     1.09463   109.92280   175.40087
   27    22 S   N    _N3_    24     1.38337   113.68451    40.00354
   28    27 S   H    _HN3    25     1.01587   119.59351    -3.25865
   29    24 S   S    _SG2    35     1.82853   111.56313   -64.62904
   30    27 S   CT   _CA3    26     1.45289   123.20664   177.15993
   31    30 S   HC   HA31    27     1.09550   107.50518   -64.66656
   32    30 S   HC   HA32    28     1.09558   107.98861    51.77022
   33    29 S   CT   _C11    36     1.84050    99.65574   173.04791
   34    33 S   HC   _H3_    37     1.09682   106.05060   -50.76837
   35    30 S   CO3  _C3_    29     1.52963   114.08287   173.76687
   36    35 S   O2Z  _O31    30     1.26376   116.06736    -0.76872
   37    35 S   O2Z  _O32    31     1.26428   114.41421   179.29473
   38    33 S   CA   _C7_    38     1.51893   111.76394    68.43451
   39    33 S   CT   _C12    54     1.53825   108.40450  -166.20095
   40    39 S   HC   _H13    55     1.09753   111.18809    57.10362
   41    39 S   HC   _H14    56     1.09734   111.42614   -61.93561
   42    38 S   CA   _C8_    39     1.40254   121.83314    66.68201
   43    42 S   HA   _H10    40     1.08714   120.66862    -0.71546
   44    39 S   CO4  _C13    57     1.51259   112.68554   177.26999
   45    44 S   O    _O35    58     1.22406   123.31562   125.82326
   46    42 S   CA   _C9_    41     1.39384   120.59218   179.31987
   47    46 S   HA   _H11    42     1.08620   119.32365  -179.93147
   48    44 S   OS   _O36    59     1.36142   110.24823   -55.67267
   49    46 S   CA   _C10    43     1.39414   119.72189    -0.03426
   50    48 S   CT   _C14    60     1.45139   118.25237   178.09238
   51    50 S   HC   _H15    61     1.09760   109.39922    24.88859
   52    49 S   CA   _C5_    44     1.39861   121.08254     0.14265
   53    49 S   OH   _O34    52     1.37028   119.81627  -179.81977
   54    53 S   HO   _H12    53     0.97205   108.77442     0.10653
   55    50 S   CT   _C15    62     1.53294   106.79441   143.61714
   56    55 S   HC   _H4_    63     1.09694   109.85250    47.14618
   57    38 S   CA   _C6_    45     1.40836   119.37433  -113.77098
   58    57 S   HA   _H9_    46     1.08649   118.17681     0.37430
   59    52 S   OS   _O33    47     1.37046   116.10345  -179.80923
   60    55 S   CT   _C16    64     1.53052   112.25823   170.48246
   61    60 S   HC   _H16    65     1.09867   109.54349    69.21365
   62    60 S   HC   _H17    66     1.09835   108.03479  -176.26461
   63    55 S   OH   _O41    80     1.42913   108.50609   -69.20465
   64    63 S   HO   _H22    81     0.97252   107.45877   179.26219
   65    59 S   CT   _C4_    48     1.42223   117.20694   179.52936
   66    65 S   HC   _H6_    49     1.09427   107.73795   179.84677
   67    65 S   HC   _H7_    50     1.09496   111.16943    62.12029
   68    65 S   HC   _H8_    51     1.09472   111.13560   -62.47153
   69    60 S   CT   _C17    67     1.53143   112.17251   -53.82810
   70    69 S   CT   _C18    68     1.52733   110.57383    54.48422
   71    70 S   HC   _H18    69     1.09819   110.17248  -176.13487
   72    70 S   HC   _H19    70     1.09828   110.92307    67.17894
   73    69 S   CO3  _C20    75     1.55032   107.26416   179.61386
   74    73 S   O2Z  _O39    76     1.26228   116.30843  -107.15416
   75    73 S   O2Z  _O38    77     1.26678   114.55998    72.71391
   76    69 S   OH   _O40    78     1.43404   108.88542   -64.22822
   77    76 S   HO   _H21    79     0.97490   106.95553   -72.04387
   78    50 S   CT   _C19    71     1.53411   108.25719   -96.21416
   79    78 S   HC   _H5_    72     1.09635   109.69123   -46.73047
   80    78 S   OH   _O37    73     1.42753   109.09118    70.00727
   81    80 S   HO   _H20    74     0.97259   107.56038  -177.31963
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3  10
   7  16   8   9   3   1  13   7   3   1   4  14   6   5   3   1
   3   2   1   1  11  11   6   5   5   2   1   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    57    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    57    58    39    40    41    44    45    48  
   38    42    57    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    57    58    59    39    40    41    44  
   40    41    44    45    48    50    42    57  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    57    58    53  
   46    47    49    57  
   45    48    50    51    55    78  
   48    50  
   47    49    52    57    59    53    54  
   49    52    53  
   50    51    55    56    60    70    78    79    80    63  
   52    57    58    59    65    53    54  
   51    55    56    60    61    62    69    70    71    72    78    79    80    81    63    64  
   55    56    60    70    78    79    80    63  
   57    58    59    65    66    67    68    53    54  
   54    57    59  
    0  
   56    60    61    62    69    70    78    79    80    73    76    63    64  
   60    61    62    69    78    63    64  
   58    59    65  
   59  
   65    66    67    68  
   61    62    69    70    71    72    78    73    74    75    76    77    63    64  
   62    69    70    73    76    63  
   69    70    73    76    63  
   64    69    78  
    0  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    78    79    80    73    74    75    76    77  
   71    72    78    79    80    81    73    74    75    76    77  
   72    78    79    80    73    76  
   78    79    80    73    76  
   74    75    76    77    78  
   75    76  
   76  
   77    78  
    0  
   79    80    81  
   80    81  
   81  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    57   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    57   469.000  1.400
   52    59   450.000  1.364
   57    58   367.000  1.080
   59    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    78   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    69   268.000  1.529
   69    70   268.000  1.529
   69    73   317.000  1.522
   69    76   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   320.000  1.410
   80    81   553.000  0.945
   73    74   656.000  1.250
   73    75   656.000  1.250
   76    77   553.000  0.945
   63    64   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    57    52    63.00000  120.00000
   38    57    58    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    57    63.00000  120.00000
   49    52    59    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    57    58    35.00000  120.00000
   52    59    65    75.00000  111.00000
   57    38    42    63.00000  120.00000
   59    52    57    70.00000  120.00000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    55    50.00000  109.50000
   48    50    78    50.00000  109.50000
   50    55    56    37.50000  110.70000
   50    55    60    58.35000  112.70000
   50    55    63    50.00000  109.50000
   50    78    70    58.35000  112.70000
   50    78    79    37.50000  110.70000
   50    78    80    50.00000  109.50000
   55    50    51    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    69    58.35000  112.70000
   55    63    64    55.00000  108.50000
   60    55    56    37.50000  110.70000
   60    69    70    58.35000  112.70000
   60    69    73    70.00000  109.69300
   60    69    76    50.00000  109.50000
   62    60    61    33.00000  107.80000
   69    60    61    37.50000  110.70000
   69    60    62    37.50000  110.70000
   69    70    71    37.50000  110.70000
   69    70    72    37.50000  110.70000
   69    70    78    58.35000  112.70000
   69    73    74    70.00000  117.00000
   69    73    75    70.00000  117.00000
   69    76    77    55.00000  108.50000
   70    78    79    37.50000  110.70000
   70    78    80    50.00000  109.50000
   72    70    71    33.00000  107.80000
   78    50    51    37.50000  110.70000
   78    50    55    58.35000  112.70000
   78    70    71    37.50000  110.70000
   78    70    72    37.50000  110.70000
   78    80    81    55.00000  108.50000
   80    78    79    35.00000  109.50000
   73    69    70    70.00000  109.69300
   75    73    74    80.00000  126.00000
   76    69    70    50.00000  109.50000
   76    69    73    95.00000  109.52300
   63    55    56    35.00000  109.50000
   63    55    60    50.00000  109.50000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    57    52   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    57    52   3.62500 -1.0 2.0
   42    38    57    58   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    57   3.62500 -1.0 2.0
   46    49    52    59   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -57    38   3.62500 -1.0 2.0
   49    52    57    58   3.62500 -1.0 2.0
   49    52    59    65   1.63200 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   52    59    65    66   0.08050  1.0 3.0
   52    59    65    67   0.08050  1.0 3.0
   52    59    65    68   0.08050  1.0 3.0
   57    38    42    43   3.62500 -1.0 2.0
   57    38   -42    46   3.62500 -1.0 2.0
   57    52    59    65   1.63200 -1.0 2.0
   59    52    57    38   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   53    49    52    57   3.62500 -1.0 2.0
   53    49    52    59   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    55  -0.25900  1.0 1.0
   44    48    50    55  -0.47000 -1.0 2.0
   44    48    50    55   0.11750  1.0 3.0
   44    48    50    78  -0.25900  1.0 1.0
   44    48    50    78  -0.47000 -1.0 2.0
   44    48    50    78   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.23400  1.0 3.0
   48    50    55    60   0.62750  1.0 1.0
   48    50    55    60  -0.30950 -1.0 2.0
   48    50    55    60   0.27300  1.0 3.0
   48    50    55    63   3.69350  1.0 1.0
   48    50    55    63  -1.82950 -1.0 2.0
   48    50    78    70   0.62750  1.0 1.0
   48    50    78    70  -0.30950 -1.0 2.0
   48    50    78    70   0.27300  1.0 3.0
   48    50    78    79   0.23400  1.0 3.0
   48    50    78    80   3.69350  1.0 1.0
   48    50    78    80  -1.82950 -1.0 2.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    69   0.56750  1.0 1.0
   50    55    60    69  -0.07550 -1.0 2.0
   50    55    60    69   0.20000  1.0 3.0
   50    55    63    64  -0.11600  1.0 1.0
   50    55    63    64  -0.09450 -1.0 2.0
   50    55    63    64   0.21250  1.0 3.0
   50    78    80    81  -0.11600  1.0 1.0
   50    78    80    81  -0.09450 -1.0 2.0
   50    78    80    81   0.21250  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   51    50    55    63   0.23400  1.0 3.0
   51    50    78    70   0.15000  1.0 3.0
   51    50    78    79   0.15000  1.0 3.0
   51    50    78    80   0.23400  1.0 3.0
   55    50    78    70   0.56750  1.0 1.0
   55    50    78    70  -0.07550 -1.0 2.0
   55    50    78    70   0.20000  1.0 3.0
   55    50    78    79   0.15000  1.0 3.0
   55    50    78    80   0.86500  1.0 1.0
   55    50    78    80  -0.17500 -1.0 2.0
   55    50    78    80   0.20800  1.0 3.0
   55    60   -69    70   0.56750  1.0 1.0
   55    60   -69    70  -0.07550 -1.0 2.0
   55    60   -69    70   0.20000  1.0 3.0
   55    60    69    73  -1.63150  1.0 1.0
   55    60    69    73  -0.43550 -1.0 2.0
   55    60    69    73   0.24500  1.0 3.0
   55    60    69    76   0.86500  1.0 1.0
   55    60    69    76  -0.17500 -1.0 2.0
   55    60    69    76   0.20800  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    69   0.15000  1.0 3.0
   56    55    63    64   0.19450  1.0 3.0
   60    55    63    64  -0.11600  1.0 1.0
   60    55    63    64  -0.09450 -1.0 2.0
   60    55    63    64   0.21250  1.0 3.0
   60    69    70    71   0.15000  1.0 3.0
   60    69    70    72   0.15000  1.0 3.0
   60    69    70    78   0.56750  1.0 1.0
   60    69    70    78  -0.07550 -1.0 2.0
   60    69    70    78   0.20000  1.0 3.0
   60    69    73    74   0.41150 -1.0 2.0
   60    69    73    75   0.41150 -1.0 2.0
   60    69    76    77  -0.11600  1.0 1.0
   60    69    76    77  -0.09450 -1.0 2.0
   60    69    76    77   0.21250  1.0 3.0
   61    60    69    70   0.15000  1.0 3.0
   61    60    69    73  -0.11250  1.0 3.0
   61    60    69    76   0.23400  1.0 3.0
   62    60    69    70   0.15000  1.0 3.0
   62    60    69    73  -0.11250  1.0 3.0
   62    60    69    76   0.23400  1.0 3.0
   69    70   -78    50   0.56750  1.0 1.0
   69    70   -78    50  -0.07550 -1.0 2.0
   69    70   -78    50   0.20000  1.0 3.0
   69    70    78    79   0.15000  1.0 3.0
   69    70    78    80   0.86500  1.0 1.0
   69    70    78    80  -0.17500 -1.0 2.0
   69    70    78    80   0.20800  1.0 3.0
   70    69    73    74   0.41150 -1.0 2.0
   70    69    73    75   0.41150 -1.0 2.0
   70    69    76    77  -0.11600  1.0 1.0
   70    69    76    77  -0.09450 -1.0 2.0
   70    69    76    77   0.21250  1.0 3.0
   70    78    80    81  -0.11600  1.0 1.0
   70    78    80    81  -0.09450 -1.0 2.0
   70    78    80    81   0.21250  1.0 3.0
   71    70    78    50   0.15000  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    80   0.23400  1.0 3.0
   72    70    78    50   0.15000  1.0 3.0
   72    70    78    79   0.15000  1.0 3.0
   72    70    78    80   0.23400  1.0 3.0
   78    50    55    56   0.15000  1.0 3.0
   78    50   -55    60   0.56750  1.0 1.0
   78    50   -55    60  -0.07550 -1.0 2.0
   78    50   -55    60   0.20000  1.0 3.0
   78    50    55    63   0.86500  1.0 1.0
   78    50    55    63  -0.17500 -1.0 2.0
   78    50    55    63   0.20800  1.0 3.0
   79    78    80    81   0.19450  1.0 3.0
   73    69    70    71  -0.11250  1.0 3.0
   73    69    70    72  -0.11250  1.0 3.0
   73    69    70    78  -1.63150  1.0 1.0
   73    69    70    78  -0.43550 -1.0 2.0
   73    69    70    78   0.24500  1.0 3.0
   73    69    76    77   0.91850  1.0 1.0
   73    69    76    77   0.57950  1.0 3.0
   76    69    70    71   0.23400  1.0 3.0
   76    69    70    72   0.23400  1.0 3.0
   76    69    70    78   0.86500  1.0 1.0
   76    69    70    78  -0.17500 -1.0 2.0
   76    69    70    78   0.20800  1.0 3.0
   76    69    73    74   0.30150 -1.0 2.0
   76    69    73    75   0.30150 -1.0 2.0
   63    55    60    61   0.23400  1.0 3.0
   63    55    60    62   0.23400  1.0 3.0
   63    55    60    69   0.86500  1.0 1.0
   63    55    60    69  -0.17500 -1.0 2.0
   63    55    60    69   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    57    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   57    59    52    49   4.00000 -1.0 2.0
   52    58    57    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   74    69    73    75  10.50000 -1.0 2.0
END
