* LIGAND DATABASE FILE (OPLS2005)
*
001      93    92    155    220     442
    1     0 S   NP   _N1_     1    28.84123    97.76198   -21.56156
    2     1 S   H    _HN1     2     1.02784    97.11616   -99.42051
    3     1 S   H    _H1_     3     1.02948    70.95213     7.59326
    4     1 S   H    _H2_     4     1.02830    43.60326   152.06971
    5     1 S   CT   _CA1     5     1.50087   147.50334   105.93104
    6     5 S   HC   _HA1     6     1.09585   105.21992    91.41274
    7     5 S   CO3  _C1_     7     1.53805   112.37325   -28.80406
    8     7 S   O2Z  _O11     8     1.26370   115.00414   -45.09814
    9     7 S   O2Z  _O12     9     1.26218   114.94501   133.96749
   10     5 S   CT   _CB1    10     1.53104   107.41981  -150.65990
   11    10 S   HC   HB11    11     1.09824   109.42167   -50.08116
   12    10 S   HC   HB12    12     1.09804   110.53232    66.62705
   13    10 S   CT   _CG1    13     1.52891   112.37716  -171.01699
   14    13 S   HC   HG11    14     1.09551   110.50438   -64.84269
   15    13 S   HC   HG12    15     1.09619   109.62802    54.35927
   16    13 S   C    _CD1    16     1.51755   112.53304   174.64562
   17    16 S   O    _OE1    17     1.22710   123.33266     3.91567
   18    16 S   N    _N2_    18     1.38649   111.53144  -175.90098
   19    18 S   H    _HN2    19     1.01545   118.98316     1.46580
   20    18 S   CT1  _CA2    20     1.46328   123.57045   177.63371
   21    20 S   HC   _HA2    21     1.09713   109.40357     2.49520
   22    20 S   C    _C2_    22     1.53600   108.49225  -113.16438
   23    22 S   O    _O2_    23     1.23050   122.27939  -150.28597
   24    20 S   CT   _CB2    32     1.53372   111.30226   124.62646
   25    24 S   HC   HB21    33     1.09586   109.40590    56.91519
   26    24 S   HC   HB22    34     1.09489   110.76047   175.86492
   27    22 S   N    _N3_    24     1.38359   113.77340    37.02535
   28    27 S   H    _HN3    25     1.01575   119.50109    -2.23283
   29    24 S   S    _SG2    35     1.82910   111.29855   -64.01313
   30    27 S   CT   _CA3    26     1.45279   123.31185   177.79691
   31    30 S   HC   HA31    27     1.09534   107.61164   -65.38629
   32    30 S   HC   HA32    28     1.09563   107.91018    51.09301
   33    29 S   CT   _C17    36     1.84488    99.38343   161.56669
   34    33 S   HC   _H3_    37     1.09284   107.33623   -35.21271
   35    30 S   CO3  _C3_    29     1.52957   113.94959   173.28873
   36    35 S   O2Z  _O31    30     1.26379   116.00587     9.20693
   37    35 S   O2Z  _O32    31     1.26405   114.49055  -170.67974
   38    33 S   CM   _C18    38     1.51400   108.79313    82.82010
   39    38 S   HC   _H20    39     1.09099   115.60791    54.67474
   40    33 S   CM   _C15    47     1.52971   108.02598  -152.24267
   41    38 S   CMA  _C19    40     1.35531   126.78609  -124.87154
   42    41 S   OM   _O33    41     1.26794   125.55984    -0.51052
   43    40 S   CM   _C14    48     1.35253   123.73494    86.84946
   44    43 S   HC   _H16    49     1.08926   118.38165  -179.29390
   45    40 S   CT   _C16    90     1.51147   117.74830   -92.01209
   46    45 S   HC   _H17    91     1.09468   110.70617   -66.54546
   47    45 S   HC   _H18    92     1.09562   112.29930   173.75955
   48    45 S   HC   _H19    93     1.09488   110.60150    54.33294
   49    41 S   OS   _O34    42     1.42250   109.29600   179.81233
   50    43 S   CM   _C13    50     1.44890   126.65980    -1.53315
   51    50 S   HC   _H15    51     1.08504   117.71994     5.67568
   52    49 S   CT   _C20    43     1.42627   115.63886  -171.55792
   53    52 S   HC   _H21    44     1.09409   107.75725   177.76638
   54    52 S   HC   _H22    45     1.09512   111.06111    59.77348
   55    52 S   HC   _H23    46     1.09497   111.03773   -64.31140
   56    50 S   CM   _C12    52     1.34337   123.51800  -173.07751
   57    56 S   HC   _H14    53     1.08826   119.96901    -1.99371
   58    56 S   CM   _C10    54     1.46290   124.49245   178.35479
   59    58 S   CM   _C9_    55     1.34881   120.83864   -42.54074
   60    59 S   HC   _H10    56     1.08994   118.16733     0.54608
   61    58 S   CT   _C11    86     1.50504   113.34659   139.35424
   62    61 S   HC   _H11    87     1.09573   110.41706    63.49234
   63    61 S   HC   _H12    88     1.09610   110.29478   -56.11468
   64    61 S   HC   _H13    89     1.09225   113.54858  -175.88306
   65    59 S   CM   _C8_    57     1.44868   127.81257  -178.80548
   66    65 S   HC   _H9_    58     1.08478   118.37244     3.93831
   67    65 S   CM   _C7_    59     1.34345   122.06201  -176.46803
   68    67 S   HC   _H8_    60     1.08396   118.76238     0.55567
   69    67 S   CM   _C6_    61     1.44870   123.28603  -179.38356
   70    69 S   HC   _H7_    62     1.09049   114.10997     1.10163
   71    69 S   CM   _C5_    63     1.35088   127.38260  -179.12307
   72    71 S   CM   _C21    64     1.46741   118.25081  -179.66428
   73    72 S   HC   _H24    65     1.09012   115.35108    -0.04846
   74    71 S   CT   _C4_    82     1.50938   124.56805     0.39909
   75    74 S   HC   _H4_    83     1.09574   110.42501  -118.97391
   76    74 S   HC   _H5_    84     1.09585   110.48670   120.65266
   77    74 S   HC   _H6_    85     1.09169   113.97187     0.98338
   78    72 S   CM   _C22    66     1.34462   126.71556   179.91607
   79    78 S   HC   _H25    67     1.08322   119.82225     0.00000
   80    78 S   CM   _C23    68     1.45113   122.56217  -179.96044
   81    80 S   HC   _H26    69     1.09073   114.06677     0.16551
   82    80 S   CM   _C24    70     1.35084   127.72850  -179.84934
   83    82 S   CM   _C26    71     1.46779   118.19724  -179.97202
   84    83 S   HC   _H30    72     1.08941   115.22623    -0.01978
   85    82 S   CT   _C25    78     1.50866   124.59189     0.04846
   86    85 S   HC   _H27    79     1.09581   110.47831  -119.75493
   87    85 S   HC   _H28    80     1.09176   113.89414     0.07662
   88    85 S   HC   _H29    81     1.09582   110.47932   119.88081
   89    83 S   CM   _C27    73     1.34215   126.63105   179.97202
   90    89 S   HC   _H31    74     1.08793   120.79972     0.00000
   91    89 S   CO3  _C28    75     1.53566   121.86935  -180.00000
   92    91 S   O2Z  _O36    76     1.26252   117.02780     0.02798
   93    91 S   O2Z  _O35    77     1.26624   113.86794  -180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  14   6   2   1   1   8   4  10   6   2  10   4   4   2   1   1
   4   6   3   3   2   1   1   9   3   9  10   4   4   2   1   1
   6   3   6   3   9   3   9  10   4   4   2   1   1   6   3   9
   3   9  10   4   4   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    40    43    44    50    45    46    47    48  
   38    39    41    40    43    45  
   36    37  
   37  
    0  
   39    41    42    49    52    40    43    45  
   41    42    49    40  
   43    44    50    51    56    45    46    47    48    41  
   42    49    52    53    54    55  
   49    52  
   44    50    51    56    57    58    45    46    47    48  
   50    51    56    45  
   46    47    48    50  
   47    48  
   48  
    0  
   52    53    54    55  
   51    56    57    58    59    61  
   56    57    58  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60    65    61    62    63    64  
   58    59    61  
   59    60    65    66    67    61    62    63    64  
   60    65    66    67    68    69    61    62    63    64  
   65    66    67    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    71    72    74  
   69    70    71  
   70    71    72    73    78    74    75    76    77  
   71    72    74  
   72    73    78    79    80    74    75    76    77  
   73    78    79    80    81    82    74    75    76    77  
   78    79    80    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80    81    82    83    85  
   80    81    82  
   81    82    83    84    89    85    86    87    88  
   82    83    85  
   83    84    89    90    91    85    86    87    88  
   84    89    90    91    92    93    85    86    87    88  
   89    90    91    85  
   86    87    88    89  
   87    88  
   88  
    0  
   90    91    92    93  
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    40   317.000  1.510
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    49   440.000  1.360
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   40    43   549.000  1.340
   40    45   317.000  1.510
   43    44   340.000  1.080
   43    50   380.000  1.444
   50    51   340.000  1.080
   50    56   549.000  1.340
   56    57   340.000  1.080
   56    58   380.000  1.444
   58    59   549.000  1.340
   58    61   317.000  1.510
   59    60   340.000  1.080
   59    65   380.000  1.444
   65    66   340.000  1.080
   65    67   549.000  1.340
   67    68   340.000  1.080
   67    69   380.000  1.444
   69    70   340.000  1.080
   69    71   549.000  1.340
   71    72   380.000  1.444
   71    74   317.000  1.510
   72    73   340.000  1.080
   72    78   549.000  1.340
   78    79   340.000  1.080
   78    80   380.000  1.444
   80    81   340.000  1.080
   80    82   549.000  1.340
   82    83   380.000  1.444
   82    85   317.000  1.510
   83    84   340.000  1.080
   83    89   549.000  1.340
   89    90   340.000  1.080
   89    91   230.000  1.545
   91    92   656.000  1.250
   91    93   656.000  1.250
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    70.00000  124.00000
   33    40    45    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    49    80.00000  120.01400
   41    38    39    40.00000  120.50800
   41    49    52    90.00000  111.18400
   49    41    42    65.00000  121.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    43    44    35.00000  120.00000
   40    43    50    70.00000  123.01800
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   43    50    51    35.00000  120.00000
   43    50    56    70.00000  123.01800
   50    43    44    35.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    58    70.00000  123.01800
   56    50    51    35.00000  120.00000
   56    58    59    70.00000  123.01800
   56    58    61    70.00000  124.00000
   58    56    57    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    65    70.00000  123.01800
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   59    65    66    35.00000  120.00000
   59    65    67    70.00000  123.01800
   65    59    60    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    70.00000  123.01800
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    70.00000  123.01800
   69    67    68    35.00000  120.00000
   69    71    72    70.00000  123.01800
   69    71    74    70.00000  124.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    78    70.00000  123.01800
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   72    78    79    35.00000  120.00000
   72    78    80    70.00000  123.01800
   78    72    73    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    70.00000  123.01800
   80    78    79    35.00000  120.00000
   80    82    83    70.00000  123.01800
   80    82    85    70.00000  124.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  120.00000
   82    83    89    70.00000  123.01800
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    88    35.00000  109.50000
   83    89    90    35.00000  120.00000
   83    89    91    55.00000  124.75400
   89    83    84    35.00000  120.00000
   89    91    92    85.00000  113.83300
   89    91    93    85.00000  113.83300
   91    89    90    40.00000  118.53000
   93    91    92    80.00000  126.00000
   85    82    83    70.00000  124.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   74    71    72    70.00000  124.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    58    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   45    40    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   29    33    40    45   0.30250  1.0 1.0
   29    33    40    45  -0.14950 -1.0 2.0
   29    33    40    45   0.36900  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    50   7.00000 -1.0 2.0
   33    40    45    46   0.34800  1.0 3.0
   33    40    45    47   0.34800  1.0 3.0
   33    40    45    48   0.34800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    43   0.00000  1.0 1.0
   34    33    40    45   0.34800  1.0 3.0
   38    33    40    43  -0.28300  1.0 1.0
   38    33    40    43   0.26700 -1.0 2.0
   38    33    40    43  -0.63300  1.0 3.0
   38    33    40    45   0.09700  1.0 1.0
   38    33    40    45   0.15600 -1.0 2.0
   38    33    40    45  -0.50800  1.0 3.0
   38    41    49    52  -2.26850  1.0 1.0
   38    41    49    52   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    49   7.00000 -1.0 2.0
   41    49    52    53   0.08050  1.0 3.0
   41    49    52    54   0.08050  1.0 3.0
   41    49    52    55   0.08050  1.0 3.0
   42    41    49    52   2.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   40    43    50    51  -0.18600  1.0 3.0
   40    43    50    56   0.28850  1.0 1.0
   40    43    50    56   2.61350 -1.0 2.0
   40    43    50    56   0.78400  1.0 3.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    47   0.00000  1.0 1.0
   43    40    45    48   0.00000  1.0 1.0
   43    50    56    57   7.00000 -1.0 2.0
   43    50    56    58   7.00000 -1.0 2.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    56  -0.18600  1.0 3.0
   50    56    58    59   0.28850  1.0 1.0
   50    56    58    59   2.61350 -1.0 2.0
   50    56    58    59   0.78400  1.0 3.0
   50    56    58    61  -0.18600  1.0 3.0
   51    50    56    57   7.00000 -1.0 2.0
   51    50    56    58   7.00000 -1.0 2.0
   56    58    59    60   7.00000 -1.0 2.0
   56    58    59    65   7.00000 -1.0 2.0
   56    58    61    62   0.00000  1.0 1.0
   56    58    61    63   0.00000  1.0 1.0
   56    58    61    64   0.00000  1.0 1.0
   57    56    58    59  -0.18600  1.0 3.0
   57    56    58    61   0.00000  1.0 1.0
   58    59    65    66  -0.18600  1.0 3.0
   58    59    65    67   0.28850  1.0 1.0
   58    59    65    67   2.61350 -1.0 2.0
   58    59    65    67   0.78400  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   59    58    61    64   0.00000  1.0 1.0
   59    65    67    68   7.00000 -1.0 2.0
   59    65    67    69   7.00000 -1.0 2.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    67  -0.18600  1.0 3.0
   65    67    69    70  -0.18600  1.0 3.0
   65    67    69    71   0.28850  1.0 1.0
   65    67    69    71   2.61350 -1.0 2.0
   65    67    69    71   0.78400  1.0 3.0
   66    65    67    68   7.00000 -1.0 2.0
   66    65    67    69   7.00000 -1.0 2.0
   67    69    71    72   7.00000 -1.0 2.0
   67    69    71    74   7.00000 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71  -0.18600  1.0 3.0
   69    71    72    73  -0.18600  1.0 3.0
   69    71    72    78   0.28850  1.0 1.0
   69    71    72    78   2.61350 -1.0 2.0
   69    71    72    78   0.78400  1.0 3.0
   69    71    74    75   0.00000  1.0 1.0
   69    71    74    76   0.00000  1.0 1.0
   69    71    74    77   0.00000  1.0 1.0
   70    69    71    72   7.00000 -1.0 2.0
   70    69    71    74   7.00000 -1.0 2.0
   71    72    78    79   7.00000 -1.0 2.0
   71    72    78    80   7.00000 -1.0 2.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   72    71    74    77   0.00000  1.0 1.0
   72    78    80    81  -0.18600  1.0 3.0
   72    78    80    82   0.28850  1.0 1.0
   72    78    80    82   2.61350 -1.0 2.0
   72    78    80    82   0.78400  1.0 3.0
   73    72    78    79   7.00000 -1.0 2.0
   73    72    78    80   7.00000 -1.0 2.0
   78    80    82    83   7.00000 -1.0 2.0
   78    80    82    85   7.00000 -1.0 2.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82  -0.18600  1.0 3.0
   80    82    83    84  -0.18600  1.0 3.0
   80    82    83    89   0.28850  1.0 1.0
   80    82    83    89   2.61350 -1.0 2.0
   80    82    83    89   0.78400  1.0 3.0
   80    82    85    86   0.00000  1.0 1.0
   80    82    85    87   0.00000  1.0 1.0
   80    82    85    88   0.00000  1.0 1.0
   81    80    82    83   7.00000 -1.0 2.0
   81    80    82    85   7.00000 -1.0 2.0
   82    83    89    90   7.00000 -1.0 2.0
   82    83    89    91   7.00000 -1.0 2.0
   83    82    85    86   0.00000  1.0 1.0
   83    82    85    87   0.00000  1.0 1.0
   83    82    85    88   0.00000  1.0 1.0
   83    89    91    92  -0.04000 -1.0 2.0
   83    89    91    92  -0.29050  1.0 3.0
   83    89    91    93  -0.04000 -1.0 2.0
   83    89    91    93  -0.29050  1.0 3.0
   84    83    89    90   7.00000 -1.0 2.0
   84    83    89    91   7.00000 -1.0 2.0
   90    89    91    92   0.00000  1.0 1.0
   90    89    91    93   0.00000  1.0 1.0
   85    82    83    84   0.00000  1.0 1.0
   85    82    83    89  -0.18600  1.0 3.0
   74    71    72    73   0.00000  1.0 1.0
   74    71    72    78  -0.18600  1.0 3.0
   61    58    59    60   7.00000 -1.0 2.0
   61    58    59    65   7.00000 -1.0 2.0
   45    40    43    44   7.00000 -1.0 2.0
   45    40    43    50   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   42    49    41    38  15.00000 -1.0 2.0
   33    45    40    43  15.00000 -1.0 2.0
   50    44    43    40  15.00000 -1.0 2.0
   43    51    50    56  15.00000 -1.0 2.0
   58    57    56    50  15.00000 -1.0 2.0
   56    61    58    59  15.00000 -1.0 2.0
   65    60    59    58  15.00000 -1.0 2.0
   59    66    65    67  15.00000 -1.0 2.0
   69    68    67    65  15.00000 -1.0 2.0
   67    70    69    71  15.00000 -1.0 2.0
   72    74    71    69  15.00000 -1.0 2.0
   71    73    72    78  15.00000 -1.0 2.0
   80    79    78    72  15.00000 -1.0 2.0
   78    81    80    82  15.00000 -1.0 2.0
   83    85    82    80  15.00000 -1.0 2.0
   82    84    83    89  15.00000 -1.0 2.0
   91    90    89    83  15.00000 -1.0 2.0
   92    89    91    93  10.50000 -1.0 2.0
END
