* LIGAND DATABASE FILE (OPLS2005)
*
001      93    95    170    255     490
    1     0 S   NP   _N1_     1    28.54883    95.90645   -21.56853
    2     1 S   H    _HN1     2     1.02835    36.67005   151.74996
    3     1 S   H    _H1_     3     1.02778    93.33260   -92.31986
    4     1 S   H    _H2_     4     1.02959    80.60177    15.71827
    5     1 S   CT   _CA1     5     1.50117   145.72489   128.30622
    6     5 S   HC   _HA1     6     1.09575   105.22598    73.86203
    7     5 S   CO3  _C1_     7     1.53779   112.41131   -46.33942
    8     7 S   O2Z  _O11     8     1.26358   115.00303   -43.50939
    9     7 S   O2Z  _O12     9     1.26240   114.91966   135.67790
   10     5 S   CT   _CB1    10     1.53095   107.42812  -168.23339
   11    10 S   HC   HB11    11     1.09825   109.30624   -50.87943
   12    10 S   HC   HB12    12     1.09818   110.42376    65.66229
   13    10 S   CT   _CG1    13     1.53012   112.68796  -171.98487
   14    13 S   HC   HG11    14     1.09594   110.45868   -64.38953
   15    13 S   HC   HG12    15     1.09656   109.96022    54.83346
   16    13 S   C    _CD1    16     1.51822   112.32827   175.17306
   17    16 S   O    _OE1    17     1.22720   123.26251    -1.01220
   18    16 S   N    _N2_    18     1.38643   111.63788   179.19936
   19    18 S   H    _HN2    19     1.01580   119.01604     1.17303
   20    18 S   CT1  _CA2    20     1.46170   123.36782   179.35018
   21    20 S   HC   _HA2    21     1.09732   109.39555    -5.67433
   22    20 S   C    _C2_    22     1.53501   108.61729  -121.27873
   23    22 S   O    _O2_    23     1.23030   122.14810  -147.49395
   24    20 S   CT   _CB2    32     1.53412   111.55587   116.36937
   25    24 S   HC   HB21    33     1.09569   109.96952    55.56256
   26    24 S   HC   HB22    34     1.09417   109.79882   174.54425
   27    22 S   N    _N3_    24     1.38460   113.62606    39.93461
   28    27 S   H    _HN3    25     1.01500   118.99714    -0.35773
   29    24 S   S    _SG2    35     1.82798   111.82080   -65.56203
   30    27 S   CT   _CA3    26     1.45436   123.32807   175.28320
   31    30 S   HC   HA31    27     1.09532   109.17978    26.28221
   32    30 S   HC   HA32    28     1.09495   107.16052   143.25514
   33    29 S   CT   _C26    36     1.84103    99.95936   168.61658
   34    33 S   HC   _H6_    37     1.09655   106.41104   -52.05889
   35    30 S   CO3  _C3_    29     1.52903   113.04529   -97.15177
   36    35 S   O2Z  _O31    30     1.26406   115.34025   -46.76459
   37    35 S   O2Z  _O32    31     1.26348   115.01726   134.14770
   38    33 S   CT   _C27    38     1.53139   107.46382  -166.30428
   39    38 S   HC   _H27    39     1.09522   112.45502   -60.41197
   40    38 S   HC   _H28    40     1.09518   110.88155   178.86737
   41    38 S   HC   _H29    41     1.09642   110.95674    60.36162
   42    33 S   CT   _C24    42     1.54612   112.77102    68.07970
   43    42 S   HC   _H5_    43     1.09657   109.69830   -54.21534
   44    42 S   CO4  _C23    44     1.52468   110.20479  -169.49582
   45    44 S   O    _O39    45     1.22269   124.73793  -113.55988
   46    42 S   CT   _C25    90     1.53161   114.92751    65.61724
   47    46 S   HC   _H24    91     1.09478   111.98158    62.85919
   48    46 S   HC   _H25    92     1.09376   111.74893   -58.96290
   49    46 S   HC   _H26    93     1.09634   110.27618  -178.24253
   50    44 S   OS   _O38    46     1.36398   109.25742    67.41420
   51    50 S   CT   _C20    47     1.45402   121.65406   179.10431
   52    51 S   CT   _C19    48     1.55202   111.98183   -59.16452
   53    52 S   HC   _H4_    49     1.10037   108.51270    82.46757
   54    51 S   CT   _C21    82     1.54078   109.71296    64.43841
   55    54 S   HC   _H18    83     1.09616   110.72993    50.80125
   56    54 S   HC   _H19    84     1.09430   111.91212   -67.69044
   57    54 S   HC   _H20    85     1.09527   111.57535   171.82747
   58    51 S   CT   _C22    86     1.54035   105.54448   178.77875
   59    58 S   HC   _H21    87     1.09669   110.55690   -52.46530
   60    58 S   HC   _H22    88     1.09141   111.97097    65.55093
   61    58 S   HC   _H23    89     1.09505   112.15203  -173.07961
   62    52 S   CT   _C9_    50     1.55301   117.91602   -38.56655
   63    62 S   HC   _H3_    51     1.09573   109.71663    99.39478
   64    62 S   CA   _C10    52     1.48331    99.26540  -143.24595
   65    62 S   OS   _O34    68     1.43182   113.85761   -28.37776
   66    64 S   CA   _C11    53     1.38328   110.08126    11.25578
   67    65 S   CO4  _C8_    69     1.36068   116.92590   134.26698
   68    67 S   O    _O33    70     1.22180   126.74997    -3.79921
   69    66 S   CA   _C12    54     1.38342   122.02231   177.69225
   70    69 S   HA   _H14    55     1.08465   121.11573  -179.57479
   71    52 S   OS   _O37    67     1.45850   109.74783  -164.03584
   72    67 S   CM   _C6_    71     1.48530   109.19104   176.73613
   73    69 S   CA   _C13    56     1.39900   118.23104     0.51434
   74    73 S   HA   _H15    57     1.08762   119.00017   179.85735
   75    72 S   CM   _C5_    72     1.34514   120.45716  -139.16615
   76    75 S   HC   _H10    73     1.08960   117.73342  -177.05749
   77    72 S   CT   _C7_    78     1.49908   117.50088    43.68639
   78    77 S   HC   _H11    79     1.09422   110.41330   -75.99894
   79    77 S   HC   _H12    80     1.09472   110.66865    44.50584
   80    77 S   HC   _H13    81     1.09505   112.00465   164.18203
   81    73 S   CA   _C14    58     1.40566   120.49115    -0.39366
   82    75 S   CT   _C4_    74     1.49573   128.41574     4.61626
   83    82 S   HC   _H7_    75     1.09397   110.00180  -108.04357
   84    82 S   HC   _H8_    76     1.09507   109.32622   133.42586
   85    82 S   HC   _H9_    77     1.09221   113.50603    14.20402
   86    64 S   CA   _C15    59     1.38266   130.17747  -171.08789
   87    86 S   OS   _O35    60     1.40446   118.87247     1.89196
   88    87 S   CO4  _C16    61     1.39009   121.36127  -179.31073
   89    88 S   O    _O36    62     1.22605   122.06548   179.44786
   90    88 S   CM   _C17    63     1.47471   116.87334    -0.61453
   91    90 S   HC   _H16    64     1.08434   117.06870  -179.56840
   92    81 S   CM   _C18    65     1.45375   121.97422  -179.57942
   93    92 S   HC   _H17    66     1.08439   119.08885    -0.76770
  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
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  13  16  18   8   9   3   2   1   5   2   1   1  12   6  12
   8   8   9   3   7   4   2  10   7   3   9   5   4   2   1   1
   7   3   2   1   1   6   5   5   3   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    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    54    58    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    62    71    54    55    56    57    58    59    60    61  
   52    53    62    63    64    66    71    65    54    55    56    57    58    59    60    61  
   53    62    63    64    66    69    86    71    65    67    54    55    56    57    58    59    60    61  
   62    63    64    66    71    65    54    58  
   55    56    57    58    59    60    61    62    71  
   56    57    58  
   57    58  
   58  
   59    60    61    62    71  
   60    61  
   61  
    0  
   63    64    66    69    81    86    87    71    65    67    68    72  
   64    66    86    71    65    67  
   66    69    70    73    81    86    87    88    92    71    65    67  
   67    68    72    75    77    66    71    86  
   69    70    73    74    81    86    87    71  
   68    72    75    76    82    77    78    79    80  
   72    75    77  
   70    73    74    81    86    92    71  
   73    74    81    71  
   73    86  
   75    76    82    83    84    85    77    78    79    80  
   74    81    86    87    90    92    93  
   81    86    92  
   76    82    83    84    85    77    78    79    80  
   82    83    84    85    77  
   78    79    80    82  
   79    80  
   80  
    0  
   86    87    88    90    91    92    93  
   83    84    85  
   84    85  
   85  
    0  
   87    88    89    90    92    93  
   88    89    90    91    92  
   89    90    91    92    93  
   90    91    92  
   91    92    93  
   92    93  
   93  
    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  -0.180000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   93   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   268.000  1.529
   51    54   268.000  1.529
   51    58   268.000  1.529
   52    53   340.000  1.090
   52    62   268.000  1.529
   52    71   320.000  1.410
   62    63   340.000  1.090
   62    64   317.000  1.510
   62    65   320.000  1.410
   64    66   469.000  1.400
   64    86   469.000  1.400
   66    69   469.000  1.400
   66    71   450.000  1.364
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   73    81   469.000  1.400
   81    86   469.000  1.400
   81    92   320.000  1.460
   86    87   450.000  1.364
   87    88   214.000  1.327
   88    89   570.000  1.229
   88    90   320.000  1.462
   90    91   340.000  1.080
   90    92   549.000  1.340
   92    93   340.000  1.080
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    72   320.000  1.462
   72    75   549.000  1.340
   72    77   317.000  1.510
   75    76   340.000  1.080
   75    82   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    50.00000  109.50000
   50    51    54    50.00000  109.50000
   50    51    58    50.00000  109.50000
   51    52    53    37.50000  110.70000
   51    52    62    58.35000  112.70000
   51    52    71    50.00000  109.50000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   52    62    63    37.50000  110.70000
   52    62    64    70.00000  112.17500
   52    62    65    50.00000  109.50000
   52    71    66    75.00000  111.00000
   62    52    53    37.50000  110.70000
   62    64    66    70.00000  120.00000
   62    64    86    70.00000  120.00000
   62    65    67    83.00000  116.90000
   64    62    63    35.00000  109.50000
   64    66    69    63.00000  120.00000
   64    66    71    70.00000  120.00000
   64    86    81    63.00000  120.00000
   64    86    87    70.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    73    63.00000  120.00000
   69    73    74    35.00000  120.00000
   69    73    81    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    81    86    63.00000  120.00000
   73    81    92    60.00000  120.93500
   81    73    74    35.00000  120.00000
   81    86    87    70.00000  120.00000
   81    92    90    60.00000  123.20500
   81    92    93    40.00000  117.26300
   86    64    66    63.00000  120.00000
   86    87    88    85.00000  115.98000
   87    88    89    83.00000  123.40000
   87    88    90    90.00000  111.29400
   88    90    91    40.00000  117.72500
   88    90    92    65.00000  118.96000
   90    88    89    80.00000  123.72100
   90    92    93    35.00000  120.00000
   92    81    86    60.00000  120.93500
   92    90    91    35.00000  120.00000
   71    52    53    35.00000  109.50000
   71    52    62    50.00000  109.50000
   71    66    69    70.00000  120.00000
   65    62    63    35.00000  109.50000
   65    62    64    85.00000  111.85700
   65    67    68    83.00000  123.40000
   65    67    72    90.00000  111.29400
   67    72    75    65.00000  118.96000
   67    72    77    65.00000  116.34900
   72    67    68    80.00000  123.72100
   72    75    76    35.00000  120.00000
   72    75    82    70.00000  124.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    82    83    35.00000  109.50000
   75    82    84    35.00000  109.50000
   75    82    85    35.00000  109.50000
   82    75    76    35.00000  117.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   77    72    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    51    52    58.35000  112.70000
   58    51    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.32350  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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    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   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  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    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52  -0.25900  1.0 1.0
   44    50    51    52  -0.47000 -1.0 2.0
   44    50    51    52   0.11750  1.0 3.0
   44    50    51    54  -0.25900  1.0 1.0
   44    50    51    54  -0.47000 -1.0 2.0
   44    50    51    54   0.11750  1.0 3.0
   44    50    51    58  -0.25900  1.0 1.0
   44    50    51    58  -0.47000 -1.0 2.0
   44    50    51    58   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    52    53   0.23400  1.0 3.0
   50    51    52    62   0.62750  1.0 1.0
   50    51    52    62  -0.30950 -1.0 2.0
   50    51    52    62   0.27300  1.0 3.0
   50    51    52    71   1.11900  1.0 1.0
   50    51    52    71  -1.16350 -1.0 2.0
   50    51    52    71  -0.34150  1.0 3.0
   50    51    54    55   0.23400  1.0 3.0
   50    51    54    56   0.23400  1.0 3.0
   50    51    54    57   0.23400  1.0 3.0
   50    51    58    59   0.23400  1.0 3.0
   50    51    58    60   0.23400  1.0 3.0
   50    51    58    61   0.23400  1.0 3.0
   51    52    62    63   0.15000  1.0 3.0
   51    52    62    64  -0.03700  1.0 1.0
   51    52    62    64   0.37200 -1.0 2.0
   51    52    62    64  -0.47300  1.0 3.0
   51    52    62    65   0.62750  1.0 1.0
   51    52    62    65  -0.30950 -1.0 2.0
   51    52    62    65   0.27300  1.0 3.0
   51    52    71    66  -0.32850  1.0 1.0
   51    52    71    66  -0.35800 -1.0 2.0
   51    52    71    66   0.33950  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   52    62   -64    66   0.04150 -1.0 2.0
   52    62    64    86   0.04150 -1.0 2.0
   52    62    65    67  -0.25900  1.0 1.0
   52    62    65    67  -0.47000 -1.0 2.0
   52    62    65    67   0.11750  1.0 3.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    64   0.43200  1.0 3.0
   53    52    62    65   0.23400  1.0 3.0
   53    52    71    66   0.08050  1.0 3.0
   62    52   -71    66  -0.32850  1.0 1.0
   62    52   -71    66  -0.35800 -1.0 2.0
   62    52   -71    66   0.33950  1.0 3.0
   62    64    66    69   3.62500 -1.0 2.0
   62    64   -66    71   3.62500 -1.0 2.0
   62    64    86    81   3.62500 -1.0 2.0
   62    64    86    87   3.62500 -1.0 2.0
   62    65    67    68   3.00000 -1.0 2.0
   62    65    67    72   2.00000 -1.0 2.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    86   0.00000  1.0 1.0
   63    62    65    67   0.08050  1.0 3.0
   64    62    65    67  -0.43900 -1.0 2.0
   64    62    65    67   0.14100  1.0 3.0
   64    66    69    70   3.62500 -1.0 2.0
   64    66    69    73   3.62500 -1.0 2.0
   64    66   -71    52   1.63200 -1.0 2.0
   64    86    87    88   0.01300  1.0 1.0
   64    86    87    88   0.97950 -1.0 2.0
   64    86    87    88  -0.55700  1.0 3.0
   66    64    86    81   3.62500 -1.0 2.0
   66    64    86    87   3.62500 -1.0 2.0
   66    69    73    74   3.62500 -1.0 2.0
   66    69   -73    81   3.62500 -1.0 2.0
   69    66    71    52   1.63200 -1.0 2.0
   69    73    81    86   3.62500 -1.0 2.0
   69    73    81    92   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   70    69    73    81   3.62500 -1.0 2.0
   73    81   -86    64   3.62500 -1.0 2.0
   73    81    86    87   3.62500 -1.0 2.0
   73    81    92    90   0.15800  1.0 1.0
   73    81    92    90   1.85350 -1.0 2.0
   73    81    92    90  -0.48700  1.0 3.0
   73    81    92    93   0.56550  1.0 3.0
   74    73    81    86   3.62500 -1.0 2.0
   74    73    81    92   3.62500 -1.0 2.0
   81    86    87    88   0.01300  1.0 1.0
   81    86    87    88   0.97950 -1.0 2.0
   81    86    87    88  -0.55700  1.0 3.0
   86    64   -66    69   3.62500 -1.0 2.0
   86    64    66    71   3.62500 -1.0 2.0
   86    81    92    90   0.15800  1.0 1.0
   86    81    92    90   1.85350 -1.0 2.0
   86    81    92    90  -0.48700  1.0 3.0
   86    81    92    93   0.56550  1.0 3.0
   86    87    88    89   3.00000 -1.0 2.0
   86    87   -88    90   2.00000 -1.0 2.0
   87    88    90    91   1.63100 -1.0 2.0
   87    88    90    92  -0.56150  1.0 1.0
   87    88    90    92   2.19150 -1.0 2.0
   88    90   -92    81   7.00000 -1.0 2.0
   88    90    92    93   7.00000 -1.0 2.0
   89    88    90    91   0.00000  1.0 1.0
   89    88    90    92   1.00000 -1.0 2.0
   91    90    92    81   7.00000 -1.0 2.0
   91    90    92    93   7.00000 -1.0 2.0
   92    81    86    64   3.62500 -1.0 2.0
   92    81   -86    87   3.62500 -1.0 2.0
   71    52    62    63   0.23400  1.0 3.0
   71    52   -62    64  -0.64350  1.0 1.0
   71    52   -62    64  -0.04200 -1.0 2.0
   71    52   -62    64   0.19800  1.0 3.0
   71    52    62    65   1.11900  1.0 1.0
   71    52    62    65  -1.16350 -1.0 2.0
   71    52    62    65  -0.34150  1.0 3.0
   71    66    69    70   3.62500 -1.0 2.0
   71    66    69    73   3.62500 -1.0 2.0
   65    62    64    66   0.64500  1.0 1.0
   65    62    64    66   0.14800 -1.0 2.0
   65    62    64    66   0.20650  1.0 3.0
   65    62    64    86   0.64500  1.0 1.0
   65    62    64    86   0.14800 -1.0 2.0
   65    62    64    86   0.20650  1.0 3.0
   65    67    72    75  -0.56150  1.0 1.0
   65    67    72    75   2.19150 -1.0 2.0
   65    67    72    77  -0.15000  1.0 1.0
   65    67    72    77   0.89550 -1.0 2.0
   65    67    72    77  -0.06900  1.0 3.0
   67    72    75    76   7.00000 -1.0 2.0
   67    72    75    82   7.00000 -1.0 2.0
   67    72    77    78   0.15000  1.0 3.0
   67    72    77    79   0.15000  1.0 3.0
   67    72    77    80   0.15000  1.0 3.0
   68    67    72    75   1.00000 -1.0 2.0
   68    67    72    77  -0.64400  1.0 1.0
   68    67    72    77   0.26850 -1.0 2.0
   72    75    82    83   0.00000  1.0 1.0
   72    75    82    84   0.00000  1.0 1.0
   72    75    82    85   0.00000  1.0 1.0
   75    72    77    78   0.00000  1.0 1.0
   75    72    77    79   0.00000  1.0 1.0
   75    72    77    80   0.00000  1.0 1.0
   76    75    82    83   0.33100  1.0 3.0
   76    75    82    84   0.33100  1.0 3.0
   76    75    82    85   0.33100  1.0 3.0
   77    72    75    76   7.00000 -1.0 2.0
   77    72    75    82   7.00000 -1.0 2.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    62   0.56750  1.0 1.0
   54    51    52    62  -0.07550 -1.0 2.0
   54    51    52    62   0.20000  1.0 3.0
   54    51    52    71   0.62750  1.0 1.0
   54    51    52    71  -0.30950 -1.0 2.0
   54    51    52    71   0.27300  1.0 3.0
   54    51    58    59   0.15000  1.0 3.0
   54    51    58    60   0.15000  1.0 3.0
   54    51    58    61   0.15000  1.0 3.0
   58    51    52    53   0.15000  1.0 3.0
   58    51    52    62   0.56750  1.0 1.0
   58    51    52    62  -0.07550 -1.0 2.0
   58    51    52    62   0.20000  1.0 3.0
   58    51    52    71   0.62750  1.0 1.0
   58    51    52    71  -0.30950 -1.0 2.0
   58    51    52    71   0.27300  1.0 3.0
   58    51    54    55   0.15000  1.0 3.0
   58    51    54    56   0.15000  1.0 3.0
   58    51    54    57   0.15000  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   66    86    64    62   4.00000 -1.0 2.0
   69    71    66    64   4.00000 -1.0 2.0
   73    70    69    66   1.10000 -1.0 2.0
   81    74    73    69   1.10000 -1.0 2.0
   86    92    81    73   4.00000 -1.0 2.0
   81    87    86    64   4.00000 -1.0 2.0
   87    90    88    89  10.50000 -1.0 2.0
   88    91    90    92   1.10000 -1.0 2.0
   81    93    92    90   1.10000 -1.0 2.0
   65    72    67    68  10.50000 -1.0 2.0
   67    77    72    75  15.00000 -1.0 2.0
   82    76    75    72  15.00000 -1.0 2.0
END
