* LIGAND DATABASE FILE (OPLS2005)
*
001      84    88    152    244     440
    1     0 S   NP   _N1_     1    28.95957    98.76143   -21.96410
    2     1 S   H    _HN1     2     1.03418   116.87916  -146.24154
    3     1 S   H    _H1_     3     1.02835    68.14732   -45.96932
    4     1 S   H    _H2_     4     1.02766    39.34736   129.18238
    5     1 S   CT   _CA1     5     1.49923   128.79844    54.14098
    6     5 S   HC   _HA1     6     1.09456   105.02852   103.39783
    7     5 S   CO3  _C1_     7     1.53741   113.06167   -16.49177
    8     7 S   O2Z  _O11     8     1.26379   115.14366   -37.40688
    9     7 S   O2Z  _O12     9     1.26285   114.94234   141.81420
   10     5 S   CT   _CB1    10     1.53119   107.66394  -137.86510
   11    10 S   HC   HB11    11     1.09740   110.23000   -40.55808
   12    10 S   HC   HB12    12     1.09797   110.32010    76.20275
   13    10 S   CT   _CG1    13     1.52947   112.21647  -161.34251
   14    13 S   HC   HG11    14     1.09547   110.91684   -63.94669
   15    13 S   HC   HG12    15     1.09483   109.59717    54.87090
   16    13 S   C    _CD1    16     1.51734   111.76275   176.48849
   17    16 S   O    _OE1    17     1.22830   122.81371    28.45987
   18    16 S   N    _N2_    18     1.38419   112.31348  -153.64463
   19    18 S   H    _HN2    19     1.01482   119.29655     6.40058
   20    18 S   CT1  _CA2    20     1.45964   123.11945  -177.16413
   21    20 S   HC   _HA2    21     1.09691   109.77585    24.64360
   22    20 S   C    _C2_    22     1.52880   105.39623   -92.80930
   23    22 S   O    _O2_    23     1.22949   122.62251   -91.63441
   24    20 S   CT   _CB2    32     1.53328   111.30041   147.38109
   25    24 S   HC   HB21    33     1.09209   109.70395    56.07865
   26    24 S   HC   HB22    34     1.09552   109.70208   174.49170
   27    22 S   N    _N3_    24     1.38549   112.76715    84.87562
   28    27 S   H    _HN3    25     1.01588   119.41828     2.62316
   29    24 S   S    _SG2    35     1.83304   110.80420   -65.82698
   30    27 S   CT   _CA3    26     1.45436   123.10805   179.82417
   31    30 S   HC   HA31    27     1.09531   109.11382    27.76536
   32    30 S   HC   HA32    28     1.09493   107.17428   144.70935
   33    29 S   CT   _C27    36     1.85394   102.64805   160.24895
   34    33 S   OM   _O41    37     1.31791   113.00267    40.73178
   35    30 S   CO3  _C3_    29     1.52940   113.19634   -95.55292
   36    35 S   O2Z  _O31    30     1.26407   115.50067   -44.16849
   37    35 S   O2Z  _O32    31     1.26378   114.99536   136.71094
   38    33 S   CT   _C28    38     1.54751   104.11741   155.32759
   39    38 S   HC   _H15    39     1.09856   111.09115    62.05167
   40    38 S   HC   _H16    40     1.09867   113.47217   -60.17381
   41    38 S   HC   _H17    41     1.09998   111.23312   178.72313
   42    33 S   OS   _O40    42     1.45678   114.96877   -92.67097
   43    42 S   CA   _C14    43     1.36705   118.07686    55.33208
   44    43 S   CA   _C15    44     1.39296   118.22291  -108.02358
   45    44 S   HA   _H10    45     1.08661   120.36468     2.56582
   46    44 S   CA   _C16    46     1.39591   119.86477  -178.64275
   47    46 S   HA   _H11    47     1.08730   118.41537  -178.16602
   48    46 S   CA   _C17    48     1.40614   120.84607     1.10145
   49    48 S   CA   _C12    49     1.39976   118.36398     1.52290
   50    48 S   CT   _C18    62     1.51621   121.90368  -176.63309
   51    43 S   CA   _C13    50     1.39270   121.51700    77.05678
   52    51 S   HA   _H9_    51     1.08642   120.36831    -1.75368
   53    49 S   OS   _O35    52     1.37405   123.44317   178.55314
   54    50 S   CA   _C19    63     1.49485   112.63512    65.41525
   55    50 S   OS   _O37    74     1.46132   108.42964   -46.34479
   56    53 S   CA   _C10    53     1.37380   118.47822   -11.36803
   57    54 S   CA   _C20    64     1.38414   130.23075    64.00604
   58    57 S   HA   _H12    65     1.08518   121.23702     0.54680
   59    56 S   CA   _C11    54     1.39711   115.67905  -168.19361
   60    59 S   HA   _H8_    55     1.08633   120.44582     0.26614
   61    57 S   CA   _C21    66     1.40005   118.55426  -179.00299
   62    61 S   HA   _H13    67     1.08838   118.38126   179.05519
   63    59 S   CA   _C6_    56     1.39192   119.18135  -179.84298
   64    61 S   CA   _C22    68     1.41379   121.38623    -0.19383
   65    63 S   CA   _C7_    57     1.39118   121.31524    -1.14347
   66    65 S   HA   _H6_    58     1.08570   120.80430  -178.91700
   67    64 S   CA   _C23    69     1.40379   118.97914    -0.57912
   68    67 S   HA   _H14    70     1.08558   121.40334  -179.61437
   69    64 S   CO3  _C26    75     1.50643   120.53881   178.51668
   70    69 S   O2Z  _O39    76     1.27195   116.95518  -159.75574
   71    69 S   O2Z  _O38    77     1.26945   117.34214    19.49777
   72    63 S   OS   _O34    78     1.39602   119.25387  -178.12351
   73    65 S   CA   _C8_    59     1.39472   119.08450     1.55696
   74    73 S   HA   _H7_    60     1.08730   118.46310   178.93082
   75    54 S   CA   _C24    71     1.38026   109.77617  -115.68467
   76    72 S   CO4  _C5_    79     1.39016   112.76645   -92.39775
   77    76 S   O    _O33    80     1.22375   127.10832    -0.00000
   78    56 S   CA   _C9_    61     1.40154   123.44527    11.94808
   79    75 S   CO4  _C25    72     1.45480   109.11634    -0.19077
   80    79 S   O    _O36    73     1.21459   126.77844  -179.89913
   81    76 S   CT   _C4_    81     1.49992   108.67866   180.00000
   82    81 S   HC   _H3_    82     1.09286   109.82499   -60.98421
   83    81 S   HC   _H4_    83     1.09378   109.32365   179.97202
   84    81 S   HC   _H5_    84     1.09286   109.82519    60.96534
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
   9   6   2   1   1   5   3   2   1   7   9   8   4   9   3  13
   9  17   3   1   6  14   8   8   9   4   8   4   8   3   9   7
   6   4   7   3   3   1   1   7   2   1   3   5   4   1   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    51    52  
   44    45    46    47    48    49    51    52    53  
   45    46    47    48    49    51    52    50  
   46    47    48    51  
   47    48    49    51    53    78    50    54    55  
   48    49    50  
   49    51    52    53    56    73    78    50    54    57    75    79    55  
   51    52    53    56    59    78    50    54    55  
   54    57    58    61    67    75    79    80    55    51    53    56    59    65    73    74    78  
   52    53    56  
   53  
   56    59    60    63    73    78  
   57    58    61    62    64    67    68    75    79    80    55    56    73    78  
   56    57    67    73    75    78    79    80  
   59    60    63    65    73    74    78    72  
   58    61    62    64    67    75    79    69    78  
   61    62    64    75  
   60    63    65    66    73    78    72    76  
   63    65    78    72  
   62    64    67    68    75    69    70    71  
   64    67    69  
   65    66    73    74    78    72    76    77    81  
   67    68    75    79    69    70    71  
   66    73    74    78    72    76  
   73    74    78    72  
   68    75    79    80    69    70    71  
   75    79    69  
   70    71    75  
   71  
    0  
   76    77    81    82    83    84    73  
   74    78  
   78  
   79    80    78  
   77    81    82    83    84  
   81    82    83    84  
   79  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.375400   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   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   2.5000   1.7750   0.001000000  -0.843144165
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   79   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    51   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    50   317.000  1.510
   49    51   469.000  1.400
   49    53   450.000  1.364
   51    52   367.000  1.080
   53    56   450.000  1.364
   56    59   469.000  1.400
   56    78   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    65   469.000  1.400
   63    72   450.000  1.364
   65    66   367.000  1.080
   65    73   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    50   317.000  1.510
   50    54   317.000  1.510
   50    55   320.000  1.410
   54    57   469.000  1.400
   54    75   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    67   469.000  1.400
   64    69   400.000  1.490
   67    68   367.000  1.080
   67    75   469.000  1.400
   75    79   310.000  1.470
   79    80   570.000  1.229
   79    55   214.000  1.327
   69    70   656.000  1.250
   69    71   656.000  1.250
   72    76   214.000  1.327
   76    77   570.000  1.229
   76    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    51    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    51    49    63.00000  120.00000
   43    51    52    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    50    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    51    63.00000  120.00000
   48    49    53    70.00000  120.00000
   48    50    78    70.00000  112.04700
   48    50    54    70.00000  112.04700
   48    50    55    85.00000  111.85700
   49    51    52    35.00000  120.00000
   49    53    56    85.00000  114.70000
   51    43    44    63.00000  120.00000
   53    49    51    70.00000  120.00000
   53    56    59    70.00000  120.00000
   53    56    78    70.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    63    63.00000  120.00000
   56    78    73    63.00000  120.00000
   56    78    50    70.00000  120.00000
   59    63    65    63.00000  120.00000
   59    63    72    70.00000  120.00000
   63    59    60    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    73    63.00000  120.00000
   63    72    76    85.00000  115.98000
   65    73    74    35.00000  120.00000
   65    73    78    63.00000  120.00000
   73    65    66    35.00000  120.00000
   73    78    50    70.00000  120.00000
   78    56    59    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    50    54    70.00000  112.04700
   78    50    55    85.00000  111.85700
   50    48    49    70.00000  120.00000
   50    54    57    70.00000  120.00000
   50    54    75    70.00000  120.00000
   50    55    79    83.00000  116.90000
   54    57    58    35.00000  120.00000
   54    57    61    63.00000  120.00000
   54    75    67    63.00000  120.00000
   54    75    79    60.00000  119.52600
   57    61    62    35.00000  120.00000
   57    61    64    63.00000  120.00000
   61    57    58    35.00000  120.00000
   61    64    67    63.00000  120.00000
   61    64    69    85.00000  120.00000
   64    61    62    35.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    75    63.00000  120.00000
   64    69    70    80.00000  120.40000
   64    69    71    80.00000  120.40000
   67    75    79    60.00000  119.52600
   75    54    57    63.00000  120.00000
   75    67    68    35.00000  120.00000
   75    79    80    75.00000  123.78400
   75    79    55    81.00000  111.40000
   55    50    54    85.00000  111.85700
   55    79    80    83.00000  123.40000
   69    64    67    85.00000  120.00000
   71    69    70    80.00000  126.00000
   72    63    65    70.00000  120.00000
   72    76    77    83.00000  123.40000
   72    76    81    81.00000  111.40000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   81    76    77    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    51   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    51    49   3.62500 -1.0 2.0
   42    43    51    52   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    51    49   3.62500 -1.0 2.0
   44    43    51    52   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    50   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    51   3.62500 -1.0 2.0
   46    48    49    53   3.62500 -1.0 2.0
   46    48    50    78   0.04300 -1.0 2.0
   46    48    50    54   0.04300 -1.0 2.0
   46    48    50    55   0.64500  1.0 1.0
   46    48    50    55   0.14800 -1.0 2.0
   46    48    50    55   0.20650  1.0 3.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    49   -51    43   3.62500 -1.0 2.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    53    56   0.47150 -1.0 2.0
   48    50    54    57   0.04300 -1.0 2.0
   48    50    54    75   0.04300 -1.0 2.0
   48    50    55    79  -0.43900 -1.0 2.0
   48    50    55    79   0.14100  1.0 3.0
   49    48    50    78   0.04300 -1.0 2.0
   49    48    50    54   0.04300 -1.0 2.0
   49    48    50    55   0.64500  1.0 1.0
   49    48    50    55   0.14800 -1.0 2.0
   49    48    50    55   0.20650  1.0 3.0
   49    53    56    59   0.47150 -1.0 2.0
   49    53   -56    78   0.47150 -1.0 2.0
   51    43    44    45   3.62500 -1.0 2.0
   51    43   -44    46   3.62500 -1.0 2.0
   51    49    53    56   0.47150 -1.0 2.0
   53    49    51    43   3.62500 -1.0 2.0
   53    49    51    52   3.62500 -1.0 2.0
   53    56    59    60   3.62500 -1.0 2.0
   53    56    59    63   3.62500 -1.0 2.0
   53    56    78    73   3.62500 -1.0 2.0
   53    56    78    50   3.62500 -1.0 2.0
   56    59    63    65   3.62500 -1.0 2.0
   56    59    63    72   3.62500 -1.0 2.0
   56    78   -50    48   0.04300 -1.0 2.0
   56    78    50    54   0.04300 -1.0 2.0
   56    78    50    55   0.64500  1.0 1.0
   56    78    50    55   0.14800 -1.0 2.0
   56    78    50    55   0.20650  1.0 3.0
   59    56    78    73   3.62500 -1.0 2.0
   59    56    78    50   3.62500 -1.0 2.0
   59    63    65    66   3.62500 -1.0 2.0
   59    63   -65    73   3.62500 -1.0 2.0
   59    63    72    76   0.01300  1.0 1.0
   59    63    72    76   0.97950 -1.0 2.0
   59    63    72    76  -0.55700  1.0 3.0
   60    59    63    65   3.62500 -1.0 2.0
   60    59    63    72   3.62500 -1.0 2.0
   63    65    73    74   3.62500 -1.0 2.0
   63    65    73    78   3.62500 -1.0 2.0
   63    72    76    77   3.00000 -1.0 2.0
   63    72    76    81   0.75600  1.0 1.0
   63    72    76    81   1.63000 -1.0 2.0
   65    63    72    76   0.01300  1.0 1.0
   65    63    72    76   0.97950 -1.0 2.0
   65    63    72    76  -0.55700  1.0 3.0
   65    73   -78    56   3.62500 -1.0 2.0
   65    73    78    50   3.62500 -1.0 2.0
   66    65    73    74   3.62500 -1.0 2.0
   66    65    73    78   3.62500 -1.0 2.0
   73    78    50    48   0.04300 -1.0 2.0
   73    78    50    54   0.04300 -1.0 2.0
   73    78    50    55   0.64500  1.0 1.0
   73    78    50    55   0.14800 -1.0 2.0
   73    78    50    55   0.20650  1.0 3.0
   74    73    78    56   3.62500 -1.0 2.0
   74    73    78    50   3.62500 -1.0 2.0
   78    56    59    60   3.62500 -1.0 2.0
   78    56   -59    63   3.62500 -1.0 2.0
   78    50    54    57   0.04300 -1.0 2.0
   78    50    54    75   0.04300 -1.0 2.0
   78    50    55    79  -0.43900 -1.0 2.0
   78    50    55    79   0.14100  1.0 3.0
   50    48    49    51   3.62500 -1.0 2.0
   50    48   -49    53   3.62500 -1.0 2.0
   50    54    57    58   3.62500 -1.0 2.0
   50    54    57    61   3.62500 -1.0 2.0
   50    54    75    67   3.62500 -1.0 2.0
   50    54   -75    79   3.62500 -1.0 2.0
   54    50   -55    79  -0.43900 -1.0 2.0
   54    50   -55    79   0.14100  1.0 3.0
   54    57    61    62   3.62500 -1.0 2.0
   54    57    61    64   3.62500 -1.0 2.0
   54    75    79    80   1.05000 -1.0 2.0
   54    75   -79    55   0.98750 -1.0 2.0
   57    54    75    67   3.62500 -1.0 2.0
   57    54    75    79   3.62500 -1.0 2.0
   57    61   -64    67   3.62500 -1.0 2.0
   57    61    64    69   3.62500 -1.0 2.0
   58    57    61    62   3.62500 -1.0 2.0
   58    57    61    64   3.62500 -1.0 2.0
   61    64    67    68   3.62500 -1.0 2.0
   61    64    67    75   3.62500 -1.0 2.0
   61    64    69    70   1.05000 -1.0 2.0
   61    64    69    71   1.05000 -1.0 2.0
   62    61    64    67   3.62500 -1.0 2.0
   62    61    64    69   3.62500 -1.0 2.0
   64    67   -75    54   3.62500 -1.0 2.0
   64    67    75    79   3.62500 -1.0 2.0
   67    64    69    70   1.05000 -1.0 2.0
   67    64    69    71   1.05000 -1.0 2.0
   67    75    79    80   1.05000 -1.0 2.0
   67    75    79    55   0.98750 -1.0 2.0
   68    67    75    54   3.62500 -1.0 2.0
   68    67    75    79   3.62500 -1.0 2.0
   75    54    57    58   3.62500 -1.0 2.0
   75    54   -57    61   3.62500 -1.0 2.0
   75    79   -55    50   0.59950  1.0 1.0
   75    79   -55    50   3.24850 -1.0 2.0
   80    79    55    50   3.00000 -1.0 2.0
   55    50    54    57   0.64500  1.0 1.0
   55    50    54    57   0.14800 -1.0 2.0
   55    50    54    57   0.20650  1.0 3.0
   55    50   -54    75   0.64500  1.0 1.0
   55    50   -54    75   0.14800 -1.0 2.0
   55    50   -54    75   0.20650  1.0 3.0
   69    64    67    68   3.62500 -1.0 2.0
   69    64    67    75   3.62500 -1.0 2.0
   72    63    65    66   3.62500 -1.0 2.0
   72    63    65    73   3.62500 -1.0 2.0
   72    76    81    82   0.00000  1.0 1.0
   72    76    81    83   0.00000  1.0 1.0
   72    76    81    84   0.00000  1.0 1.0
   77    76    81    82   0.00000  1.0 1.0
   77    76    81    83   0.00000  1.0 1.0
   77    76    81    84   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   44    51    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    50    48    46   4.00000 -1.0 2.0
   51    53    49    48   4.00000 -1.0 2.0
   49    52    51    43   1.10000 -1.0 2.0
   59    78    56    53   4.00000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   65    72    63    59   4.00000 -1.0 2.0
   73    66    65    63   1.10000 -1.0 2.0
   78    74    73    65   1.10000 -1.0 2.0
   73    50    78    56   4.00000 -1.0 2.0
   57    75    54    50   4.00000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   64    62    61    57   1.10000 -1.0 2.0
   67    69    64    61   4.00000 -1.0 2.0
   75    68    67    64   1.10000 -1.0 2.0
   67    79    75    54   4.00000 -1.0 2.0
   75    55    79    80  10.50000 -1.0 2.0
   70    64    69    71  10.50000 -1.0 2.0
   72    81    76    77  10.50000 -1.0 2.0
END
