* LIGAND DATABASE FILE (OPLS2005)
*
001      82    86    160    251     466
    1     0 S   NP   _N1_     1    28.87241    97.27483   -21.55283
    2     1 S   H    _HN1     2     1.02787    90.92739   -81.27804
    3     1 S   H    _H1_     3     1.02950    71.39323    27.76055
    4     1 S   H    _H2_     4     1.02831    47.27856   164.98534
    5     1 S   CT   _CA1     5     1.50122   153.74392   126.39947
    6     5 S   HC   _HA1     6     1.09580   105.19283    88.66975
    7     5 S   CO3  _C1_     7     1.53740   112.27904   -31.46316
    8     7 S   O2Z  _O11     8     1.26368   115.03459   -47.08731
    9     7 S   O2Z  _O12     9     1.26246   114.95621   131.87106
   10     5 S   CT   _CB1    10     1.53076   107.38380  -153.53096
   11    10 S   HC   HB11    11     1.09831   109.26829   -50.76937
   12    10 S   HC   HB12    12     1.09811   110.53220    65.80591
   13    10 S   CT   _CG1    13     1.52971   112.60077  -171.79304
   14    13 S   HC   HG11    14     1.09557   110.53191   -66.01270
   15    13 S   HC   HG12    15     1.09670   109.86480    53.18075
   16    13 S   C    _CD1    16     1.51828   112.25930   173.50203
   17    16 S   O    _OE1    17     1.22726   123.30151     3.70322
   18    16 S   N    _N2_    18     1.38618   111.63544  -176.17792
   19    18 S   H    _HN2    19     1.01590   118.90575     0.99976
   20    18 S   CT1  _CA2    20     1.46259   123.44737   177.54600
   21    20 S   HC   _HA2    21     1.09733   109.44746    -3.11508
   22    20 S   C    _C2_    22     1.53472   108.32680  -118.56098
   23    22 S   O    _O2_    23     1.23041   122.37464  -147.20681
   24    20 S   CT   _CB2    32     1.53281   111.44223   119.10080
   25    24 S   HC   HB21    33     1.09572   109.76939    54.63820
   26    24 S   HC   HB22    34     1.09461   110.39192   173.73249
   27    22 S   N    _N3_    24     1.38361   113.54325    40.22678
   28    27 S   H    _HN3    25     1.01617   119.52626    -3.43940
   29    24 S   S    _SG2    35     1.82719   111.31420   -66.65526
   30    27 S   CT   _CA3    26     1.45282   123.16714   177.07511
   31    30 S   HC   HA31    27     1.09550   107.52847   -64.02454
   32    30 S   HC   HA32    28     1.09558   107.95313    52.39440
   33    29 S   CT   _C17    36     1.86307    99.99473   159.76164
   34    33 S   HC   _H6_    37     1.09842   106.16588   -44.34418
   35    30 S   CO3  _C3_    29     1.52945   114.11174   174.38836
   36    35 S   O2Z  _O31    30     1.26370   116.06418    -0.34150
   37    35 S   O2Z  _O32    31     1.26429   114.41090   179.71129
   38    33 S   CT   _C16    38     1.55784   109.01468    68.71875
   39    38 S   HC   _H5_    39     1.09505   108.02335   -65.86816
   40    38 S   CT   _C15    40     1.53422   113.01916   173.61395
   41    40 S   HC   _H4_    41     1.09791   110.44075  -173.47238
   42    38 S   OH   _O36    81     1.42641   112.16942    50.86266
   43    42 S   HO   _H16    82     0.97207   107.95369  -174.05743
   44    40 S   CT   _C14    42     1.52966   109.50438   -55.43887
   45    44 S   HC   _H14    43     1.09592   109.86535   -62.50539
   46    44 S   HC   _H15    44     1.09791   109.22960  -179.19206
   47    40 S   OS   _O37    76     1.43076   111.66696    64.43401
   48    44 S   CT   _C13    45     1.53130   110.48054    61.58384
   49    48 S   HC   _H3_    46     1.10071   106.06974    66.20014
   50    47 S   CT   _C18    77     1.42079   113.63463    79.90900
   51    50 S   HC   _H17    78     1.09348   108.11009   176.02635
   52    50 S   HC   _H18    79     1.09412   110.66514    57.45760
   53    50 S   HC   _H19    80     1.09277   111.15705   -65.41725
   54    33 S   CT   _C12    47     1.57725   112.97980  -159.90541
   55    48 S   NTH0 _N4_    58     1.48048   111.36918  -174.30667
   56    54 S   CA   _C7_    48     1.56997   114.30227    77.91444
   57    55 S   CT   _C20    59     1.47518   105.52930    82.93127
   58    57 S   HC   _H22    60     1.09688   108.78946   -92.76332
   59    57 S   HC   _H23    61     1.09656   112.51419   150.14445
   60    56 S   CA   _C8_    49     1.40026   123.59231   -23.29961
   61    60 S   HA   _H11    50     1.08002   123.29901     2.56231
   62    54 S   CT   _C21    62     1.55920   117.75861   -46.97073
   63    62 S   HC   _H7_    63     1.09704   111.35920    96.18095
   64    60 S   CA   _C9_    51     1.38187   118.89082  -177.72411
   65    62 S   OH   _O38    64     1.41735   113.97388   -25.21595
   66    65 S   HO   _H24    65     0.97214   107.81099   178.88197
   67    64 S   CA   _C10    52     1.37672   122.88343    -0.36262
   68    67 S   CA   _C5_    53     1.38217   121.02509    -0.26614
   69    67 S   OS   _O34    71     1.36234   111.10314  -179.68410
   70    56 S   CA   _C6_    54     1.43442   118.22209   158.30630
   71    68 S   OS   _O33    66     1.36712   127.02446  -178.97016
   72    69 S   CO   _C11    72     1.43869   102.00009    -1.07484
   73    72 S   HC   _H12    73     1.09538   108.55157  -119.36716
   74    72 S   HC   _H13    74     1.09585   108.72603   122.53932
   75    70 S   CT   _C19    55     1.52283   119.36288    -5.00500
   76    75 S   HC   _H20    56     1.09729   110.16117   131.28439
   77    75 S   HC   _H21    57     1.09815   107.65582  -113.01105
   78    71 S   CT   _C4_    67     1.42006   118.46102    -1.66789
   79    78 S   HC   _H8_    68     1.09450   107.61867  -178.96429
   80    78 S   HC   _H9_    69     1.09450   111.17741    63.71862
   81    78 S   HC   _H10    70     1.09459   111.25513   -61.59566
   82    64 S   OS   _O35    75     1.36303   124.23067   179.83331
  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  10   5   4   3
  20   8   2   1   1  14   7  15   7   4   1  12   6   5   5  15
   6   3   2   1   1  15  12  15  10   5   4  10   4   5   2   9
   1   1  10  12   6   5   5   3   2   1   2   1   1   3   2   1
   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    54    56    62    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    56    60    70    55    57    62    63    65    47    42    43  
   38    39    40    48    54    56    62    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    48    54    56    62    47    50    42    43  
   40    41    44    54    47    42    43  
   41    44    45    46    48    49    54    55    47    50    51    52    53    42    43  
   44    45    46    48    47    50    42  
   43    44    47    54  
    0  
   45    46    48    49    54    56    75    55    57    62    47    50  
   46    48    49    54    55    47  
   48    49    54    55    47  
   50    51    52    53    48  
   49    54    56    60    70    75    76    77    55    57    58    59    62    63    65  
   54    56    75    55    57    62  
   51    52    53  
   52    53  
   53  
    0  
   56    60    61    64    68    70    75    55    57    58    59    62    63    65    66  
   57    58    59    62    63    65    56    68    70    75    76    77  
   60    61    64    67    68    70    75    76    77    57    62    63    65    71    82  
   58    59    62    63    65    66    70    75    76    77  
   59    62    63    65    75  
   62    63    65    75  
   61    64    67    68    70    75    62    69    72    82  
   64    67    70    82  
   63    65    66    70    75  
   65    66  
   67    68    70    71    69    72    73    74    82  
   66  
    0  
   68    70    75    71    78    69    72    73    74    82  
   70    75    76    77    71    78    79    80    81    69    72    82  
   72    73    74    82    70    71  
   75    76    77    71    78  
   78    79    80    81    75  
   73    74    82  
   74    82  
   82  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    55   310.000  1.447
   54    56   317.000  1.510
   54    62   268.000  1.529
   56    60   469.000  1.400
   56    70   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    67   469.000  1.400
   64    82   450.000  1.364
   67    68   469.000  1.400
   67    69   450.000  1.364
   68    70   469.000  1.400
   68    71   450.000  1.364
   70    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    55   310.000  1.447
   55    57   310.000  1.447
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    65   320.000  1.410
   65    66   553.000  0.945
   71    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   69    72   320.000  1.380
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    82   320.000  1.380
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   42    43   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    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    54    48    58.35000  112.70000
   33    54    56    70.00000  112.17500
   33    54    62    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    47    50    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    54    58.35000  112.70000
   44    48    55    75.00000  113.73300
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    54    56    70.00000  112.17500
   48    54    62    58.35000  112.70000
   48    55    75    80.00000  110.40700
   48    55    57    80.00000  110.40700
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    56    60    70.00000  120.00000
   54    56    70    70.00000  120.00000
   54    62    57    58.35000  112.70000
   54    62    63    37.50000  110.70000
   54    62    65    50.00000  109.50000
   56    60    61    35.00000  120.00000
   56    60    64    63.00000  120.00000
   56    70    68    63.00000  120.00000
   56    70    75    70.00000  120.00000
   60    64    67    63.00000  120.00000
   60    64    82    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    67    68    63.00000  120.00000
   64    67    69    70.00000  120.00000
   64    82    72   100.00000  112.36700
   67    68    70    63.00000  120.00000
   67    68    71    70.00000  120.00000
   67    69    72   100.00000  112.36700
   68    70    75    70.00000  120.00000
   68    71    78    75.00000  111.00000
   70    56    60    63.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    55    75.00000  112.33000
   75    55    57    80.00000  110.40700
   77    75    76    33.00000  107.80000
   55    48    49    50.00000  110.15500
   55    48    54    75.00000  113.73300
   55    75    76    50.00000  110.15500
   55    75    77    50.00000  110.15500
   55    57    58    50.00000  110.15500
   55    57    59    50.00000  110.15500
   55    57    62    75.00000  113.73300
   57    62    63    37.50000  110.70000
   57    62    65    50.00000  109.50000
   59    57    58    33.00000  107.80000
   62    54    56    70.00000  112.17500
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    65    66    55.00000  108.50000
   65    62    63    35.00000  109.50000
   71    68    70    70.00000  120.00000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    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
   69    67    68    70.00000  120.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    82    92.60000  111.55000
   74    72    73    33.00000  109.50000
   82    64    67    70.00000  120.00000
   82    72    73    35.00000  109.50000
   82    72    74    35.00000  109.50000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    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   0.01700  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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    54    48   0.44750  1.0 1.0
   29    33    54    48  -0.17800 -1.0 2.0
   29    33    54    48   0.20200  1.0 3.0
   29    33    54    56   0.56750  1.0 1.0
   29    33    54    56  -0.07550 -1.0 2.0
   29    33    54    56   0.20000  1.0 3.0
   29    33    54    62   0.44750  1.0 1.0
   29    33    54    62  -0.17800 -1.0 2.0
   29    33    54    62   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    47   0.62750  1.0 1.0
   33    38    40    47  -0.30950 -1.0 2.0
   33    38    40    47   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    54    56    60   0.04150 -1.0 2.0
   33    54    56    70   0.04150 -1.0 2.0
   33    54    62    57   0.56750  1.0 1.0
   33    54    62    57  -0.07550 -1.0 2.0
   33    54    62    57   0.20000  1.0 3.0
   33    54    62    63   0.15000  1.0 3.0
   33    54    62    65   0.86500  1.0 1.0
   33    54    62    65  -0.17500 -1.0 2.0
   33    54    62    65   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    54    48   0.15000  1.0 3.0
   34    33    54    56   0.43200  1.0 3.0
   34    33    54    62   0.15000  1.0 3.0
   38    33    54    48   0.56750  1.0 1.0
   38    33    54    48  -0.07550 -1.0 2.0
   38    33    54    48   0.20000  1.0 3.0
   38    33    54    56  -0.03700  1.0 1.0
   38    33    54    56   0.37200 -1.0 2.0
   38    33    54    56  -0.47300  1.0 3.0
   38    33    54    62   0.56750  1.0 1.0
   38    33    54    62  -0.07550 -1.0 2.0
   38    33    54    62   0.20000  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    47    50   0.06250  1.0 1.0
   38    40    47    50  -0.01100 -1.0 2.0
   38    40    47    50   0.28050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    47   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    54   0.56750  1.0 1.0
   40    44    48    54  -0.07550 -1.0 2.0
   40    44    48    54   0.20000  1.0 3.0
   40    44    48    55   1.53400  1.0 1.0
   40    44    48    55  -0.09950 -1.0 2.0
   40    44    48    55   0.05700  1.0 3.0
   40    47    50    51   0.37050  1.0 3.0
   40    47    50    52   0.37050  1.0 3.0
   40    47    50    53   0.37050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    47    50   0.37050  1.0 3.0
   44    40    47    50   0.06250  1.0 1.0
   44    40    47    50  -0.01100 -1.0 2.0
   44    40    47    50   0.28050  1.0 3.0
   44    48   -54    33   0.56750  1.0 1.0
   44    48   -54    33  -0.07550 -1.0 2.0
   44    48   -54    33   0.20000  1.0 3.0
   44    48    54    56  -0.03700  1.0 1.0
   44    48    54    56   0.37200 -1.0 2.0
   44    48    54    56  -0.47300  1.0 3.0
   44    48    54    62   0.56750  1.0 1.0
   44    48    54    62  -0.07550 -1.0 2.0
   44    48    54    62   0.20000  1.0 3.0
   44    48    55    75   1.99000  1.0 1.0
   44    48    55    75   0.18800 -1.0 2.0
   44    48    55    75   0.81350  1.0 3.0
   44    48    55    57   1.99000  1.0 1.0
   44    48    55    57   0.18800 -1.0 2.0
   44    48    55    57   0.81350  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    54   0.15000  1.0 3.0
   45    44    48    55   0.15000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    54   0.15000  1.0 3.0
   46    44    48    55   0.15000  1.0 3.0
   48    54    56    60   0.04150 -1.0 2.0
   48    54    56    70   0.04150 -1.0 2.0
   48    54   -62    57   0.56750  1.0 1.0
   48    54   -62    57  -0.07550 -1.0 2.0
   48    54   -62    57   0.20000  1.0 3.0
   48    54    62    63   0.15000  1.0 3.0
   48    54    62    65   0.86500  1.0 1.0
   48    54    62    65  -0.17500 -1.0 2.0
   48    54    62    65   0.20800  1.0 3.0
   48    55    57    58   0.28000  1.0 3.0
   48    55    57    59   0.28000  1.0 3.0
   48    55   -57    62   1.99000  1.0 1.0
   48    55   -57    62   0.18800 -1.0 2.0
   48    55   -57    62   0.81350  1.0 3.0
   49    48    54    33   0.15000  1.0 3.0
   49    48    54    56   0.43200  1.0 3.0
   49    48    54    62   0.15000  1.0 3.0
   49    48    55    75   0.28000  1.0 3.0
   49    48    55    57   0.28000  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.86500  1.0 1.0
   54    33    38    42  -0.17500 -1.0 2.0
   54    33    38    42   0.20800  1.0 3.0
   54    48    55    75   1.99000  1.0 1.0
   54    48    55    75   0.18800 -1.0 2.0
   54    48    55    75   0.81350  1.0 3.0
   54    48   -55    57   1.99000  1.0 1.0
   54    48   -55    57   0.18800 -1.0 2.0
   54    48   -55    57   0.81350  1.0 3.0
   54    56    60    61   3.62500 -1.0 2.0
   54    56    60    64   3.62500 -1.0 2.0
   54    56    70    68   3.62500 -1.0 2.0
   54    56   -70    75   3.62500 -1.0 2.0
   54    62    65    66  -0.11600  1.0 1.0
   54    62    65    66  -0.09450 -1.0 2.0
   54    62    65    66   0.21250  1.0 3.0
   56    54    62    57  -0.03700  1.0 1.0
   56    54    62    57   0.37200 -1.0 2.0
   56    54    62    57  -0.47300  1.0 3.0
   56    54    62    63   0.43200  1.0 3.0
   56    54    62    65   1.13150  1.0 1.0
   56    54    62    65  -1.01400 -1.0 2.0
   56    60    64    67   3.62500 -1.0 2.0
   56    60    64    82   3.62500 -1.0 2.0
   56    70    75    76   0.00000  1.0 1.0
   56    70    75    77   0.00000  1.0 1.0
   56    70    75    55   0.18550 -1.0 2.0
   56    70    75    55   0.14000  1.0 3.0
   60    56    70    68   3.62500 -1.0 2.0
   60    56    70    75   3.62500 -1.0 2.0
   60    64   -67    68   3.62500 -1.0 2.0
   60    64    67    69   3.62500 -1.0 2.0
   60    64    82    72   1.63200 -1.0 2.0
   61    60    64    67   3.62500 -1.0 2.0
   61    60    64    82   3.62500 -1.0 2.0
   64    67    68    70   3.62500 -1.0 2.0
   64    67    68    71   3.62500 -1.0 2.0
   64    67   -69    72   1.63200 -1.0 2.0
   67    64   -82    72   1.63200 -1.0 2.0
   67    68   -70    56   3.62500 -1.0 2.0
   67    68    70    75   3.62500 -1.0 2.0
   67    68    71    78   1.63200 -1.0 2.0
   67    69    72    73   0.08050  1.0 3.0
   67    69    72    74   0.08050  1.0 3.0
   67    69   -72    82  -0.25600  1.0 1.0
   67    69   -72    82  -0.40050 -1.0 2.0
   67    69   -72    82   0.34700  1.0 3.0
   68    67    69    72   1.63200 -1.0 2.0
   68    70    75    76   0.00000  1.0 1.0
   68    70    75    77   0.00000  1.0 1.0
   68    70    75    55   0.18550 -1.0 2.0
   68    70    75    55   0.14000  1.0 3.0
   68    71    78    79   0.08050  1.0 3.0
   68    71    78    80   0.08050  1.0 3.0
   68    71    78    81   0.08050  1.0 3.0
   70    56    60    61   3.62500 -1.0 2.0
   70    56   -60    64   3.62500 -1.0 2.0
   70    68    71    78   1.63200 -1.0 2.0
   70    75   -55    48   0.82600  1.0 1.0
   70    75   -55    48  -0.32100 -1.0 2.0
   70    75   -55    48   1.02000  1.0 3.0
   70    75    55    57   0.82600  1.0 1.0
   70    75    55    57  -0.32100 -1.0 2.0
   70    75    55    57   1.02000  1.0 3.0
   75    55    57    58   0.28000  1.0 3.0
   75    55    57    59   0.28000  1.0 3.0
   75    55    57    62   1.99000  1.0 1.0
   75    55    57    62   0.18800 -1.0 2.0
   75    55    57    62   0.81350  1.0 3.0
   76    75    55    48   0.28000  1.0 3.0
   76    75    55    57   0.28000  1.0 3.0
   77    75    55    48   0.28000  1.0 3.0
   77    75    55    57   0.28000  1.0 3.0
   55    48    54    33   1.53400  1.0 1.0
   55    48    54    33  -0.09950 -1.0 2.0
   55    48    54    33   0.05700  1.0 3.0
   55    48   -54    56   0.83750  1.0 1.0
   55    48   -54    56   0.32200 -1.0 2.0
   55    48   -54    56   0.70600  1.0 3.0
   55    48   -54    62   1.53400  1.0 1.0
   55    48   -54    62  -0.09950 -1.0 2.0
   55    48   -54    62   0.05700  1.0 3.0
   55    57   -62    54   1.53400  1.0 1.0
   55    57   -62    54  -0.09950 -1.0 2.0
   55    57   -62    54   0.05700  1.0 3.0
   55    57    62    63   0.15000  1.0 3.0
   55    57    62    65   3.18500  1.0 1.0
   57    62    65    66  -0.11600  1.0 1.0
   57    62    65    66  -0.09450 -1.0 2.0
   57    62    65    66   0.21250  1.0 3.0
   58    57    62    54   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    65   0.23400  1.0 3.0
   59    57    62    54   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    65   0.23400  1.0 3.0
   62    54    56    60   0.04150 -1.0 2.0
   62    54    56    70   0.04150 -1.0 2.0
   63    62    65    66   0.19450  1.0 3.0
   71    68    70    56   3.62500 -1.0 2.0
   71    68    70    75   3.62500 -1.0 2.0
   69    67    68    70   3.62500 -1.0 2.0
   69    67    68    71   3.62500 -1.0 2.0
   69    72   -82    64  -0.25600  1.0 1.0
   69    72   -82    64  -0.40050 -1.0 2.0
   69    72   -82    64   0.34700  1.0 3.0
   73    72    82    64   0.08050  1.0 3.0
   74    72    82    64   0.08050  1.0 3.0
   82    64    67    68   3.62500 -1.0 2.0
   82    64   -67    69   3.62500 -1.0 2.0
   47    40    44    45   0.23400  1.0 3.0
   47    40    44    46   0.23400  1.0 3.0
   47    40    44    48   0.62750  1.0 1.0
   47    40    44    48  -0.30950 -1.0 2.0
   47    40    44    48   0.27300  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    47   3.69350  1.0 1.0
   42    38    40    47  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   60    70    56    54   4.00000 -1.0 2.0
   64    61    60    56   1.10000 -1.0 2.0
   67    82    64    60   4.00000 -1.0 2.0
   68    69    67    64   4.00000 -1.0 2.0
   70    71    68    67   4.00000 -1.0 2.0
   68    75    70    56   4.00000 -1.0 2.0
END
