* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    157    233     453
    1     0 S   NP   _N1_     1    29.01383    95.45104   -24.51078
    2     1 S   H    _HN1     2     1.02780   112.12721  -105.17210
    3     1 S   H    _H1_     3     1.02958    81.88423     1.37387
    4     1 S   H    _H2_     4     1.02834    25.73673   169.38270
    5     1 S   CT   _CA1     5     1.50126   126.52557   110.77867
    6     5 S   HC   _HA1     6     1.09574   105.22254    82.51788
    7     5 S   CO3  _C1_     7     1.53783   112.38401   -37.69192
    8     7 S   O2Z  _O11     8     1.26364   115.00156   -43.83344
    9     7 S   O2Z  _O12     9     1.26237   114.93141   135.29517
   10     5 S   CT   _CB1    10     1.53088   107.41639  -159.56920
   11    10 S   HC   HB11    11     1.09829   109.32863   -50.60497
   12    10 S   HC   HB12    12     1.09817   110.42014    65.94149
   13    10 S   CT   _CG1    13     1.53017   112.68560  -171.68351
   14    13 S   HC   HG11    14     1.09592   110.50341   -64.39211
   15    13 S   HC   HG12    15     1.09655   109.92787    54.83469
   16    13 S   C    _CD1    16     1.51809   112.27661   175.19760
   17    16 S   O    _OE1    17     1.22750   123.28923     0.51396
   18    16 S   N    _N2_    18     1.38568   111.74326  -179.54158
   19    18 S   H    _HN2    19     1.01585   119.12516     3.56546
   20    18 S   CT1  _CA2    20     1.45948   122.84821   177.88641
   21    20 S   HC   _HA2    21     1.09654   110.03060    20.43466
   22    20 S   C    _C2_    22     1.52686   104.22209   -97.14447
   23    22 S   O    _O2_    23     1.23019   122.50013   -80.73180
   24    20 S   CT   _CB2    32     1.53163   111.75828   143.67252
   25    24 S   HC   HB21    33     1.09561   110.57676    53.97366
   26    24 S   HC   HB22    34     1.09489   109.29934   173.20863
   27    22 S   N    _N3_    24     1.38435   113.09660    94.42631
   28    27 S   H    _HN3    25     1.01684   120.17646     0.28599
   29    24 S   S    _SG2    35     1.82890   111.03785   -66.52134
   30    27 S   CT   _CA3    26     1.45348   122.31363  -175.55256
   31    30 S   HC   HA31    27     1.09529   108.07401   -49.97961
   32    30 S   HC   HA32    28     1.09560   107.44940    66.12167
   33    29 S   CT   _C20    36     1.84336    99.88649   173.02914
   34    33 S   HC   _H6_    37     1.09519   105.91301   -51.78129
   35    30 S   CO3  _C3_    29     1.52789   114.26392  -173.05788
   36    35 S   O2Z  _O31    30     1.26321   115.95105   -19.35717
   37    35 S   O2Z  _O32    31     1.26433   114.51889   160.84127
   38    33 S   CM   _C18    38     1.53542   110.75539    69.20446
   39    33 S   CT   _C21    82     1.52990   108.75615  -165.14517
   40    39 S   HC   _H26    83     1.09554   112.69360   -57.40564
   41    39 S   HC   _H27    84     1.09641   110.80602    63.11284
   42    39 S   HC   _H28    85     1.09590   110.57944  -178.28594
   43    38 S   CMA  _C17    39     1.36907   121.78759  -110.11267
   44    43 S   OM   _O37    40     1.26981   125.58053    -3.49654
   45    38 S   CT   _C19    77     1.51924   115.84734    69.09658
   46    45 S   HC   _H23    78     1.09152   113.08561  -158.70892
   47    45 S   HC   _H24    79     1.09405   111.38674   -39.11627
   48    43 S   OS   _O35    41     1.42119   112.12411   177.34458
   49    45 S   OH   _O36    80     1.42234   109.61960    81.01555
   50    49 S   HO   _H25    81     0.97182   107.04318  -178.28868
   51    48 S   CT   _C16    42     1.43423   112.43525  -133.06336
   52    51 S   HC   _H21    43     1.09657   109.29025   -79.71469
   53    51 S   HC   _H22    44     1.09737   110.56496    40.28889
   54    51 S   CM   _C13    45     1.49066   109.10761   159.27768
   55    54 S   CM   _C14    46     1.33999   127.04568   133.08344
   56    55 S   HC   _H18    47     1.08083   124.73252    -0.96550
   57    55 S   CT   _C15    48     1.49267   111.82711   177.16455
   58    57 S   HC   _H19    49     1.09371   111.86264   118.74403
   59    57 S   HC   _H20    50     1.09349   111.82650  -116.96114
   60    57 S   NP   _N4_    51     1.51222   106.07843     2.14813
   61    60 S   H    _H4_    52     1.02912   108.69909   113.29157
   62    60 S   CT   _C11    53     1.50468   117.58236  -122.52434
   63    62 S   HC   _H16    54     1.09480   108.79049    22.98948
   64    62 S   HC   _H17    55     1.09295   108.48928   -97.40134
   65    62 S   CT   _C10    56     1.51973   103.30121   141.64226
   66    65 S   HC   _H14    57     1.09631   110.18245    77.94177
   67    65 S   HC   _H15    58     1.09388   110.96734  -161.48846
   68    65 S   CT   _C9_    59     1.52456   103.05983   -39.89217
   69    68 S   HC   _H3_    60     1.09555   112.58396   161.31785
   70    54 S   CT   _C12    61     1.49719   122.08553   -48.87493
   71    70 S   HC   _H5_    62     1.09600   111.70552    67.90389
   72    68 S   OS   _O34    63     1.44050   109.31279   -75.78407
   73    72 S   CO4  _C8_    64     1.35892   116.55879   -88.65371
   74    73 S   O    _O33    65     1.22088   127.13548     0.29936
   75    73 S   CM   _C6_    66     1.48049   108.36504  -179.78330
   76    75 S   CM   _C5_    67     1.34390   120.02454  -125.86682
   77    76 S   HC   _H10    68     1.08932   117.90977  -177.85461
   78    75 S   CT   _C7_    73     1.49815   116.75654    56.11546
   79    78 S   HC   _H11    74     1.09475   110.68196   -69.38076
   80    78 S   HC   _H12    75     1.09495   110.41497    50.72576
   81    78 S   HC   _H13    76     1.09507   111.92228   170.43700
   82    76 S   CT   _C4_    69     1.49579   127.98698     3.13500
   83    82 S   HC   _H7_    70     1.09377   109.99118  -111.97019
   84    82 S   HC   _H8_    71     1.09487   109.38677   129.46413
   85    82 S   HC   _H9_    72     1.09264   113.49454     9.81129
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  13   5   2   1   1  10   3   5   3   2   6
   1   1  10   4   3  14  10   5  11   5   4  12   7  10   6   5
   8   5   4   7   4   3   1   5   9   3  10   9   5   4   2   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    45    46    47    49    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    51    45    46    47    49    50    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    51    52    53    54    45    46    47    49  
   48    51    45  
   46    47    49    50    48  
   47    49    50  
   49    50  
   51    52    53    54    55    70  
   50  
    0  
   52    53    54    55    56    57    60    68    70    71  
   53    54    55    70  
   54    55    70  
   55    56    57    58    59    60    61    62    65    68    69    70    71    72  
   56    57    58    59    60    61    62    68    70    71  
   57    58    59    60    70  
   58    59    60    61    62    63    64    65    68    70    71  
   59    60    61    62    70  
   60    61    62    70  
   61    62    63    64    65    66    67    68    69    70    71    72  
   62    63    64    65    68    70    71  
   63    64    65    66    67    68    69    70    71    72  
   64    65    66    67    68    70  
   65    66    67    68    70  
   66    67    68    69    70    71    72    73  
   67    68    69    70    72  
   68    69    70    72  
   69    70    71    72    73    74    75  
   70    71    72    73  
   71    72    73  
   72  
   73    74    75    76    78  
   74    75    76    77    82    78    79    80    81  
   75    76    78  
   76    77    82    83    84    85    78    79    80    81  
   77    82    83    84    85    78    79    80    81  
   82    83    84    85    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   61   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   317.000  1.510
   54    55   549.000  1.340
   54    70   317.000  1.510
   55    56   340.000  1.080
   55    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   367.000  1.471
   60    61   434.000  1.010
   60    62   367.000  1.471
   60    70   367.000  1.471
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   320.000  1.462
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   320.000  1.410
   49    50   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    49    90.00000  110.39200
   43    48    51    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    85.00000  110.90400
   51    54    55    70.00000  124.00000
   51    54    70    65.00000  117.92700
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    55    56    35.00000  120.00000
   54    55    57    70.00000  124.00000
   54    70    60    75.00000  110.06800
   54    70    68    70.00000  112.02700
   54    70    71    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    75.00000  110.06800
   57    55    56    35.00000  117.00000
   57    60    61    35.00000  109.50000
   57    60    62    75.00000  113.01200
   57    60    70    75.00000  113.01200
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    80.00000  111.20000
   60    70    68    80.00000  111.20000
   60    70    71    35.00000  109.50000
   62    60    61    35.00000  109.50000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    58.35000  112.70000
   65    68    72    50.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    72    73    83.00000  116.90000
   70    54    55    70.00000  124.00000
   70    60    61    35.00000  109.50000
   70    60    62    75.00000  113.01200
   70    68    69    37.50000  110.70000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    90.00000  111.29400
   73    75    76    65.00000  118.96000
   73    75    78    65.00000  116.34900
   75    73    74    80.00000  123.72100
   75    76    77    35.00000  120.00000
   75    76    82    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    84    35.00000  109.50000
   76    82    85    35.00000  109.50000
   82    76    77    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
   78    75    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   45    38    43    70.00000  124.00000
   45    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    49   0.18000  1.0 1.0
   33    38    45    49   0.16450 -1.0 2.0
   33    38    45    49   0.04450  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    51  -2.26850  1.0 1.0
   38    43    48    51   3.39050 -1.0 2.0
   38    45    49    50  -0.07800  1.0 1.0
   38    45    49    50  -0.21500 -1.0 2.0
   38    45    49    50  -0.03150  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    49   0.67800  1.0 1.0
   43    38    45    49   0.47050 -1.0 2.0
   43    38    45    49  -0.62500  1.0 3.0
   43    48    51    52   0.08050  1.0 3.0
   43    48    51    53   0.08050  1.0 3.0
   43    48    51    54  -0.48150  1.0 1.0
   43    48    51    54   0.09250 -1.0 2.0
   43    48    51    54  -0.12850  1.0 3.0
   44    43    48    51   2.00000 -1.0 2.0
   48    51    54    55   0.39000  1.0 1.0
   48    51    54    55  -0.05800 -1.0 2.0
   48    51    54    55  -0.55150  1.0 3.0
   48    51    54    70   0.09700  1.0 1.0
   48    51    54    70   0.15600 -1.0 2.0
   48    51    54    70  -0.50800  1.0 3.0
   51    54    55    56   7.00000 -1.0 2.0
   51    54    55    57   7.00000 -1.0 2.0
   51    54    70    60   0.52100  1.0 1.0
   51    54    70    60  -0.20350 -1.0 2.0
   51    54    70    60   0.29750  1.0 3.0
   51    54    70    68   0.46850  1.0 1.0
   51    54    70    68   0.08550 -1.0 2.0
   51    54    70    68   0.09800  1.0 3.0
   51    54    70    71   0.34800  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    70   0.34800  1.0 3.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    70   0.34800  1.0 3.0
   54    55    57    58   0.00000  1.0 1.0
   54    55    57    59   0.00000  1.0 1.0
   54    55   -57    60   0.80850  1.0 1.0
   54    55   -57    60  -0.47300 -1.0 2.0
   54    55   -57    60  -0.52300  1.0 3.0
   55    54   -70    60   0.80850  1.0 1.0
   55    54   -70    60  -0.47300 -1.0 2.0
   55    54   -70    60  -0.52300  1.0 3.0
   55    54    70    68   0.09850  1.0 1.0
   55    54    70    68   0.15250 -1.0 2.0
   55    54    70    68  -0.50650  1.0 3.0
   55    54    70    71   0.00000  1.0 1.0
   55    57    60    61   0.17350  1.0 3.0
   55    57    60    62   0.08000 -1.0 2.0
   55    57   -60    70   0.08000 -1.0 2.0
   56    55    57    58   0.33100  1.0 3.0
   56    55    57    59   0.33100  1.0 3.0
   56    55    57    60   0.00000  1.0 1.0
   57    60    62    63   0.15000  1.0 3.0
   57    60    62    64   0.15000  1.0 3.0
   57    60    62    65   0.47100  1.0 1.0
   57    60   -70    54   0.08000 -1.0 2.0
   57    60    70    68   0.47100  1.0 1.0
   57    60    70    71   0.15000  1.0 3.0
   58    57    60    61   0.13050  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    70   0.15000  1.0 3.0
   59    57    60    61   0.13050  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    70   0.15000  1.0 3.0
   60    62    65    66   0.19200  1.0 3.0
   60    62    65    67   0.19200  1.0 3.0
   60    62   -65    68   1.36600  1.0 1.0
   60    62   -65    68  -0.11450 -1.0 2.0
   60    62   -65    68   0.24250  1.0 3.0
   61    60    62    63   0.13050  1.0 3.0
   61    60    62    64   0.13050  1.0 3.0
   61    60    62    65   0.17350  1.0 3.0
   61    60    70    54   0.17350  1.0 3.0
   61    60    70    68   0.17350  1.0 3.0
   61    60    70    71   0.13050  1.0 3.0
   62    60    70    54   0.08000 -1.0 2.0
   62    60   -70    68   0.47100  1.0 1.0
   62    60    70    71   0.15000  1.0 3.0
   62    65    68    69   0.15000  1.0 3.0
   62    65   -68    70   0.56750  1.0 1.0
   62    65   -68    70  -0.07550 -1.0 2.0
   62    65   -68    70   0.20000  1.0 3.0
   62    65    68    72   0.62750  1.0 1.0
   62    65    68    72  -0.30950 -1.0 2.0
   62    65    68    72   0.27300  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    70    54   0.34400  1.0 1.0
   65    68    70    54   0.09450 -1.0 2.0
   65    68    70    54   0.11100  1.0 3.0
   65    68   -70    60   1.36600  1.0 1.0
   65    68   -70    60  -0.11450 -1.0 2.0
   65    68   -70    60   0.24250  1.0 3.0
   65    68    70    71   0.15000  1.0 3.0
   65    68    72    73  -0.25900  1.0 1.0
   65    68    72    73  -0.47000 -1.0 2.0
   65    68    72    73   0.11750  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    72   0.23400  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    72   0.23400  1.0 3.0
   68    72    73    74   3.00000 -1.0 2.0
   68    72    73    75   2.00000 -1.0 2.0
   69    68    70    54   0.15000  1.0 3.0
   69    68    70    60   0.19200  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    72    73   0.08050  1.0 3.0
   70    54    55    56   7.00000 -1.0 2.0
   70    54   -55    57   7.00000 -1.0 2.0
   70    60    62    63   0.15000  1.0 3.0
   70    60    62    64   0.15000  1.0 3.0
   70    60   -62    65   0.47100  1.0 1.0
   70    68    72    73  -0.25900  1.0 1.0
   70    68    72    73  -0.47000 -1.0 2.0
   70    68    72    73   0.11750  1.0 3.0
   72    68    70    54   0.61850  1.0 1.0
   72    68    70    54  -0.22750 -1.0 2.0
   72    68    70    54   0.15300  1.0 3.0
   72    68    70    60   1.69300  1.0 1.0
   72    68    70    60  -0.48450 -1.0 2.0
   72    68    70    71   0.23400  1.0 3.0
   72    73    75    76  -0.56150  1.0 1.0
   72    73    75    76   2.19150 -1.0 2.0
   72    73    75    78  -0.15000  1.0 1.0
   72    73    75    78   0.89550 -1.0 2.0
   72    73    75    78  -0.06900  1.0 3.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    82   7.00000 -1.0 2.0
   73    75    78    79   0.15000  1.0 3.0
   73    75    78    80   0.15000  1.0 3.0
   73    75    78    81   0.15000  1.0 3.0
   74    73    75    76   1.00000 -1.0 2.0
   74    73    75    78  -0.64400  1.0 1.0
   74    73    75    78   0.26850 -1.0 2.0
   75    76    82    83   0.00000  1.0 1.0
   75    76    82    84   0.00000  1.0 1.0
   75    76    82    85   0.00000  1.0 1.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    81   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    84   0.33100  1.0 3.0
   77    76    82    85   0.33100  1.0 3.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    82   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50   0.19450  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   33    45    38    43  15.00000 -1.0 2.0
   44    48    43    38  15.00000 -1.0 2.0
   51    70    54    55   1.10000 -1.0 2.0
   57    56    55    54   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
   73    78    75    76  15.00000 -1.0 2.0
   82    77    76    75  15.00000 -1.0 2.0
END
