* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    151    234     433
    1     0 S   NP   _N1_     1    28.60658    98.30546   -18.25696
    2     1 S   H    _HN1     2     1.02921    74.58113     7.65917
    3     1 S   H    _H1_     3     1.03086    55.44310   131.29675
    4     1 S   H    _H2_     4     1.02734    77.09417  -105.88236
    5     1 S   CT   _CA1     5     1.49956   165.82424   120.87628
    6     5 S   HC   _HA1     6     1.09569   105.40348    70.57359
    7     5 S   CO3  _C1_     7     1.53692   111.96021   -49.79229
    8     7 S   O2Z  _O11     8     1.26362   114.86805   -52.98642
    9     7 S   O2Z  _O12     9     1.26229   114.79068   126.58538
   10     5 S   CT   _CB1    10     1.53271   107.84271  -171.23971
   11    10 S   HC   HB11    11     1.09808   109.63521   -52.09091
   12    10 S   HC   HB12    12     1.09813   110.35179    64.50355
   13    10 S   CT   _CG1    13     1.53135   112.40403  -173.16574
   14    13 S   HC   HG11    14     1.09610   110.48617   -57.19325
   15    13 S   HC   HG12    15     1.09642   109.89861    61.81666
   16    13 S   C    _CD1    16     1.51867   112.68543  -177.36656
   17    16 S   O    _OE1    17     1.22694   123.36060    -3.89083
   18    16 S   N    _N2_    18     1.38673   111.54024   176.15937
   19    18 S   H    _HN2    19     1.01586   118.78907     3.79602
   20    18 S   CT1  _CA2    20     1.46352   123.81155  -178.02009
   21    20 S   HC   _HA2    21     1.09730   109.48101     4.08428
   22    20 S   C    _C2_    22     1.53423   108.36088  -111.79816
   23    22 S   O    _O2_    23     1.23030   122.22602  -140.46127
   24    20 S   CT   _CB2    32     1.53471   111.02930   126.04488
   25    24 S   HC   HB21    33     1.09549   109.59968    56.17071
   26    24 S   HC   HB22    34     1.09507   110.82418   174.85982
   27    22 S   N    _N3_    24     1.38497   113.51199    46.50483
   28    27 S   H    _HN3    25     1.01486   119.09271     0.32746
   29    24 S   S    _SG2    35     1.82667   111.30995   -65.57289
   30    27 S   CT   _CA3    26     1.45460   123.33405   175.57756
   31    30 S   HC   HA31    27     1.09528   109.17484    25.90751
   32    30 S   HC   HA32    28     1.09496   107.13204   142.88683
   33    29 S   CT   _C11    36     1.83404    99.34849   151.35147
   34    33 S   F    F1__    37     1.36746   108.22038   -54.07547
   35    33 S   F    F2__    38     1.36331   108.57662    58.85155
   36    30 S   CO3  _C3_    29     1.52928   113.16406   -97.53969
   37    36 S   O2Z  _O31    30     1.26402   115.41219   -44.50488
   38    36 S   O2Z  _O32    31     1.26361   114.97937   136.44518
   39    33 S   CA   _C10    39     1.51849   110.10960  -175.94561
   40    39 S   CA   _C9_    40     1.41298   117.11980    82.71553
   41    40 S   HA   _H7_    41     1.08485   118.77275     0.31775
   42    40 S   CA   _C8_    42     1.38586   119.89700  -177.82498
   43    42 S   CA   _C7_    43     1.39020   120.32563    -0.85775
   44    43 S   CA   _C6_    44     1.38658   121.17356     0.13417
   45    44 S   HA   _H6_    45     1.08671   119.71288  -179.65282
   46    43 S   CT   _C13    51     1.49374   111.47067  -178.96448
   47    46 S   HC   _H10    52     1.09481   110.30892   108.92021
   48    46 S   HC   _H11    53     1.09381   112.42458  -128.26149
   49    39 S   CA   _C5_    46     1.41848   123.42182   -95.25778
   50    46 S   CT   _C12    54     1.53279   101.86555    -8.93609
   51    50 S   HC   _H8_    55     1.09531   111.96098   131.73085
   52    50 S   HC   _H9_    56     1.09671   111.01323  -106.99845
   53    49 S   CT   _C4_    47     1.50408   122.20435    -1.73596
   54    53 S   HC   _H3_    48     1.09430   110.17826   -69.99660
   55    53 S   HC   _H4_    49     1.09429   110.72927    51.67932
   56    53 S   HC   _H5_    50     1.09548   111.49435   170.49200
   57    42 S   N    _N4_    57     1.41345   129.37278   176.13923
   58    57 S   C    _C14    58     1.40148   125.08501     2.37174
   59    58 S   O    _O33    59     1.23073   122.86808    11.07019
   60    58 S   N    _N5_    60     1.39775   113.42646  -167.38391
   61    60 S   H    _H12    61     1.01302   117.92511    -4.82487
   62    60 S   CA   _C15    62     1.41524   126.76239   170.23942
   63    62 S   CA   _C16    63     1.39871   117.94793  -173.18485
   64    63 S   HA   _H13    64     1.08738   120.72813    -2.92897
   65    63 S   CA   _C17    65     1.39408   120.40785   174.71995
   66    65 S   HA   _H14    66     1.08431   120.67103  -177.51029
   67    65 S   CA   _C18    67     1.38463   117.82819     0.10835
   68    67 S   NB   _N6_    68     1.35058   123.50487     3.36662
   69    67 S   OS   _O34    71     1.39332   116.91067  -175.07932
   70    62 S   CA   _C19    69     1.38806   125.13423     4.11090
   71    70 S   HA   _H15    70     1.08235   123.34366     3.79406
   72    69 S   CA   _C20    72     1.37428   114.98139   156.90078
   73    72 S   CA   _C21    73     1.39289   118.81307   100.26220
   74    73 S   HA   _H16    74     1.08589   120.61868    -0.92662
   75    73 S   CA   _C22    75     1.38829   119.27212  -179.94405
   76    75 S   HA   _H17    76     1.08394   121.00600   179.15119
   77    75 S   CA   _C23    77     1.38491   117.96260    -0.58684
   78    77 S   HA   _H18    78     1.08535   120.65082   179.67979
   79    77 S   NB   _N7_    79     1.35357   124.26790    -0.55813
   80    72 S   CA   _C24    80     1.39715   121.97460   -81.80955
   81    80 S   CT   _C25    81     1.49916   121.57035    -0.09279
   82    81 S   HC   _H19    82     1.09350   110.55286    68.61310
   83    81 S   HC   _H20    83     1.09506   110.70213  -171.87902
   84    81 S   HC   _H21    84     1.09444   110.51833   -52.61809
  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   6   5   4   3
   9   4   3   2   1   1  12  10   4  14  12  11   3   8   5   4
   4   6   3   2   3   2   1   1   5   6   3   8   3   8   8   4
   6   3   7   4   8   1   1  11   8   4   5   3   4   2   5   4
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    49    53  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    49    53    54    55    56    57  
   41    42    43    44    49    53    46    50    57    58  
   42    43    49    57  
   43    44    45    49    46    47    48    50    51    52    57    58    59    60  
   44    45    49    53    46    47    48    50    51    52    57    58  
   45    49    53    54    55    56    46    47    48    50    57  
   49    53    46  
   47    48    50    51    52    57    58    49  
   48    50    51    52    57  
   50    51    52    57  
   53    54    55    56  
   51    52    57    58    59    60  
   52    57    58  
   57    58  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62  
   59    60    61    62    63    70  
   60    61    62  
   61    62    63    64    65    68    70    71  
   62    63    70  
   63    64    65    66    67    68    70    71  
   64    65    66    67    68    70    71    69  
   65    66    67    70  
   66    67    68    70    69    72  
   67    68    69  
   68    70    71    69    72    73    80  
   70    71    69    72  
   72    73    74    75    79    80    81    70  
   71  
    0  
   73    74    75    76    77    79    80    81    82    83    84  
   74    75    76    77    78    79    80    81  
   75    76    77    80  
   76    77    78    79    80  
   77    78    79  
   78    79    80    81  
   79    80  
   80    81    82    83    84  
   81    82    83    84  
   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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.070300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.257200   1.8100   1.6000   0.054801302  -1.445846770
   58   3.7500   0.1050   0.813700   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   60   3.2500   0.1700  -0.451100   1.8100   1.6000   0.054801302  -1.445846770
   61   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.207000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.571600   2.5000   1.7750   0.001000000  -0.843144165
   68   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   69   2.9000   0.1400  -0.186600   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.192000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   79   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   80   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.5000   0.0300   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    49   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   469.000  1.400
   42    57   360.000  1.404
   43    44   469.000  1.400
   43    46   317.000  1.510
   44    45   367.000  1.080
   44    49   469.000  1.400
   49    53   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   337.000  1.449
   57    58   490.000  1.335
   58    59   570.000  1.229
   58    60   490.000  1.335
   60    61   434.000  1.010
   60    62   360.000  1.404
   62    63   469.000  1.400
   62    70   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   483.000  1.339
   67    69   450.000  1.364
   68    70   483.000  1.339
   70    71   367.000  1.080
   69    72   450.000  1.364
   72    73   469.000  1.400
   72    80   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   483.000  1.339
   79    80   483.000  1.339
   80    81   317.000  1.510
   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    49    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    49    44    63.00000  120.00000
   39    49    53    70.00000  120.00000
   40    42    43    63.00000  120.00000
   40    42    57    70.00000  119.01900
   42    40    41    35.00000  120.00000
   42    43    44    63.00000  120.00000
   42    43    46    70.00000  120.00000
   42    57    50    70.00000  121.06000
   42    57    58    65.00000  121.96500
   43    44    45    35.00000  120.00000
   43    44    49    63.00000  120.00000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    50    70.00000  112.17500
   44    49    53    70.00000  120.00000
   49    39    40    63.00000  120.00000
   49    44    45    35.00000  120.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   46    43    44    70.00000  120.00000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    57    70.00000  110.72300
   48    46    47    33.00000  107.80000
   50    46    47    37.50000  110.70000
   50    46    48    37.50000  110.70000
   50    57    58    50.00000  121.90000
   52    50    51    33.00000  107.80000
   57    42    43    70.00000  119.01900
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    58    59    80.00000  122.90000
   57    58    60    90.00000  111.91700
   58    60    61    35.00000  119.80000
   58    60    62    65.00000  121.96500
   60    58    59    80.00000  122.90000
   60    62    63    70.00000  119.01900
   60    62    70    70.00000  119.01900
   62    60    61    45.00000  118.23600
   62    63    64    35.00000  120.00000
   62    63    65    63.00000  120.00000
   62    70    68    70.00000  124.00000
   62    70    71    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    70.00000  124.00000
   65    67    69    70.00000  120.00000
   67    65    66    35.00000  120.00000
   67    68    70    70.00000  117.00000
   67    69    72    85.00000  114.70000
   68    70    71    35.00000  116.00000
   70    62    63    63.00000  120.00000
   69    67    68    95.00000  115.10700
   69    72    73    70.00000  120.00000
   69    72    80    70.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    80    79    70.00000  124.00000
   72    80    81    70.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    70.00000  124.00000
   77    75    76    35.00000  120.00000
   77    79    80    70.00000  117.00000
   79    77    78    35.00000  116.00000
   79    80    81    75.00000  115.74700
   80    72    73    63.00000  120.00000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    35.00000  109.50000
   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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    49  -0.16000  1.0 1.0
   29    33    39    49  -0.03200 -1.0 2.0
   29    33    39    49   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    49    44   3.62500 -1.0 2.0
   33    39    49    53   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    57   3.62500 -1.0 2.0
   39    49    53    54   0.00000  1.0 1.0
   39    49    53    55   0.00000  1.0 1.0
   39    49    53    56   0.00000  1.0 1.0
   40    39    49    44   3.62500 -1.0 2.0
   40    39    49    53   3.62500 -1.0 2.0
   40    42   -43    44   3.62500 -1.0 2.0
   40    42    43    46   3.62500 -1.0 2.0
   40    42    57    50   0.81400  1.0 1.0
   40    42    57    50   1.55550 -1.0 2.0
   40    42    57    58   1.00100  1.0 1.0
   40    42    57    58   0.85050 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    57   3.62500 -1.0 2.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    49   3.62500 -1.0 2.0
   42    43    46    47   0.00000  1.0 1.0
   42    43    46    48   0.00000  1.0 1.0
   42    43   -46    50   0.04150 -1.0 2.0
   42    57    58    59   0.04000 -1.0 2.0
   42    57    58    60   0.54900  1.0 1.0
   42    57    58    60   1.90750 -1.0 2.0
   43    42   -57    50   0.81400  1.0 1.0
   43    42   -57    50   1.55550 -1.0 2.0
   43    42    57    58   1.00100  1.0 1.0
   43    42    57    58   0.85050 -1.0 2.0
   43    44   -49    39   3.62500 -1.0 2.0
   43    44    49    53   3.62500 -1.0 2.0
   43    46    50    51   0.43200  1.0 3.0
   43    46    50    52   0.43200  1.0 3.0
   43    46   -50    57   0.08550  1.0 1.0
   43    46   -50    57   1.07500 -1.0 2.0
   43    46   -50    57  -0.10950  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   44    43    46    50   0.04150 -1.0 2.0
   44    49    53    54   0.00000  1.0 1.0
   44    49    53    55   0.00000  1.0 1.0
   44    49    53    56   0.00000  1.0 1.0
   45    44    49    39   3.62500 -1.0 2.0
   45    44    49    53   3.62500 -1.0 2.0
   49    39    40    41   3.62500 -1.0 2.0
   49    39   -40    42   3.62500 -1.0 2.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    49   3.62500 -1.0 2.0
   46    50   -57    42   0.36200 -1.0 2.0
   46    50    57    58  -0.43950  1.0 1.0
   46    50    57    58  -0.08100 -1.0 2.0
   46    50    57    58   0.03350  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    57   0.15000  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    57   0.15000  1.0 3.0
   50    57    58    59   3.04450 -1.0 2.0
   50    57    58    60   4.56800  1.0 1.0
   50    57    58    60   0.31650 -1.0 2.0
   51    50    57    42   0.00000  1.0 1.0
   51    50    57    58   0.00000  1.0 1.0
   52    50    57    42   0.00000  1.0 1.0
   52    50    57    58   0.00000  1.0 1.0
   57    42    43    44   3.62500 -1.0 2.0
   57    42   -43    46   3.62500 -1.0 2.0
   57    58    60    61   2.56700 -1.0 2.0
   57    58    60    62   0.54900  1.0 1.0
   57    58    60    62   1.90750 -1.0 2.0
   58    60    62    63   1.00100  1.0 1.0
   58    60    62    63   0.85050 -1.0 2.0
   58    60    62    70   1.00100  1.0 1.0
   58    60    62    70   0.85050 -1.0 2.0
   59    58    60    61   2.45000 -1.0 2.0
   59    58    60    62   0.04000 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62    63    65   3.62500 -1.0 2.0
   60    62    70    68   3.62500 -1.0 2.0
   60    62    70    71   3.62500 -1.0 2.0
   61    60    62    63   0.97800 -1.0 2.0
   61    60    62    70   0.97800 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    67   3.62500 -1.0 2.0
   63    62    70    68   3.62500 -1.0 2.0
   63    62    70    71   3.62500 -1.0 2.0
   63    65   -67    68   3.62500 -1.0 2.0
   63    65    67    69   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    68    70   3.62500 -1.0 2.0
   65    67    69    72   0.47150 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    68   -70    62   3.62500 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   67    69    72    73   0.47150 -1.0 2.0
   67    69    72    80   0.47150 -1.0 2.0
   68    67    69    72   1.50000 -1.0 2.0
   70    62    63    64   3.62500 -1.0 2.0
   70    62   -63    65   3.62500 -1.0 2.0
   69    67    68    70   3.62500 -1.0 2.0
   69    72    73    74   3.62500 -1.0 2.0
   69    72    73    75   3.62500 -1.0 2.0
   69    72    80    79   3.62500 -1.0 2.0
   69    72    80    81   3.62500 -1.0 2.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    75    77   3.62500 -1.0 2.0
   72    80    81    82   0.00000  1.0 1.0
   72    80    81    83   0.00000  1.0 1.0
   72    80    81    84   0.00000  1.0 1.0
   73    72    80    79   3.62500 -1.0 2.0
   73    72    80    81   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75   -77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -80    72   3.62500 -1.0 2.0
   77    79    80    81   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    80    81    82   0.00000  1.0 1.0
   79    80    81    83   0.00000  1.0 1.0
   79    80    81    84   0.00000  1.0 1.0
   80    72    73    74   3.62500 -1.0 2.0
   80    72   -73    75   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   40    49    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   43    57    42    40   4.00000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   49    45    44    43   1.10000 -1.0 2.0
   44    53    49    39   4.00000 -1.0 2.0
   50    58    57    42   1.00000 -1.0 2.0
   57    60    58    59  10.50000 -1.0 2.0
   61    58    60    62   1.00000 -1.0 2.0
   63    70    62    60   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   68    69    67    65   4.00000 -1.0 2.0
   68    71    70    62   1.10000 -1.0 2.0
   73    80    72    69   4.00000 -1.0 2.0
   75    74    73    72   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   79    81    80    72   4.00000 -1.0 2.0
END
