* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    160    250     473
    1     0 S   NP   _N1_     1    28.01446    95.32395   -21.09891
    2     1 S   H    _HN1     2     1.02869    83.33345   -33.75083
    3     1 S   H    _H1_     3     1.02935    33.55214   102.34838
    4     1 S   H    _H2_     4     1.02795    94.27163  -141.57260
    5     1 S   CT   _CA1     5     1.50428   142.55800    82.72674
    6     5 S   HC   _HA1     6     1.09705   104.68440    73.92672
    7     5 S   CO3  _C1_     7     1.54274   110.81115   -42.29215
    8     7 S   O2Z  _O11     8     1.26042   116.54821  -107.58635
    9     7 S   O2Z  _O12     9     1.26529   113.84981    70.84194
   10     5 S   CT   _CB1    10     1.53120   107.05142  -170.20764
   11    10 S   HC   HB11    11     1.09834   109.68308   -46.19845
   12    10 S   HC   HB12    12     1.09768   110.49200    70.50509
   13    10 S   CT   _CG1    13     1.52945   112.16298  -166.79546
   14    13 S   HC   HG11    14     1.09497   110.72466   -62.18613
   15    13 S   HC   HG12    15     1.09631   109.75362    56.91446
   16    13 S   C    _CD1    16     1.51756   112.48674   177.18478
   17    16 S   O    _OE1    17     1.22735   123.41253     2.30274
   18    16 S   N    _N2_    18     1.38484   111.56440  -177.79486
   19    18 S   H    _HN2    19     1.01746   119.02899     2.42156
   20    18 S   CT1  _CA2    20     1.45870   123.06209   179.59314
   21    20 S   HC   _HA2    21     1.09732   108.72185    28.71179
   22    20 S   C    _C2_    22     1.52915   107.38494   -88.57736
   23    22 S   O    _O2_    23     1.22966   123.14270   -25.65807
   24    20 S   CT   _CB2    32     1.53173   111.79261   151.68271
   25    24 S   HC   HB21    33     1.09608   109.55735    56.33405
   26    24 S   HC   HB22    34     1.09501   110.96393   175.21455
   27    22 S   N    _N3_    24     1.38513   112.48122   157.00324
   28    27 S   H    _HN3    25     1.01652   120.34071    -2.22000
   29    24 S   S    _SG2    35     1.82421   110.92522   -64.43182
   30    27 S   CT   _CA3    26     1.45350   122.49874   178.64491
   31    30 S   HC   HA31    27     1.09567   107.84205   -55.16715
   32    30 S   HC   HA32    28     1.09561   107.58839    61.17634
   33    29 S   CT   _C23    36     1.82002    99.00467   161.44030
   34    33 S   HC   _H25    37     1.09356   110.21509   -36.30252
   35    33 S   HC   _H26    38     1.09433   107.65901    79.93547
   36    30 S   CO3  _C3_    29     1.52890   114.30538  -177.08745
   37    36 S   O2Z  _O31    30     1.26341   116.06028     0.12195
   38    36 S   O2Z  _O32    31     1.26435   114.41450  -179.92087
   39    33 S   CM   _C22    39     1.50266   110.55074  -157.31610
   40    39 S   CMA  _C21    40     1.35103   127.02318  -116.15528
   41    40 S   OM   _O38    41     1.26275   128.12048    -0.21580
   42    40 S   OS   _O37    42     1.42312   109.54047  -178.25572
   43    42 S   CT   _C11    43     1.43952   105.70201   -17.78955
   44    43 S   HC   _H5_    44     1.10315   104.22998   -85.06327
   45    39 S   CT   _C10    45     1.50685   121.35693    64.90708
   46    45 S   HC   _H4_    46     1.09832   108.84316   -55.91393
   47    43 S   CT   _C12    60     1.53602   110.73110   161.51964
   48    47 S   HC   _H6_    61     1.09715   108.96619   179.76261
   49    45 S   CT   _C9_    47     1.54539   114.64812    63.76366
   50    49 S   HC   _H3_    48     1.09667   109.05187   -37.74274
   51    47 S   OH   _O36    62     1.43955   106.41362    65.99765
   52    51 S   HO   _H24    63     0.97228   107.91857    59.10073
   53    49 S   CT   _C15    49     1.54091   118.44427    84.98981
   54    49 S   OS   _O34    72     1.45818   106.93082  -152.92782
   55    53 S   CO4  _C16    50     1.52675   111.64022  -174.98366
   56    55 S   O    _O35    51     1.22146   126.39670    37.06448
   57    53 S   CT   _C19    68     1.54396   113.33567   -58.92065
   58    57 S   HC   _H18    69     1.08702   113.43163    75.67394
   59    57 S   HC   _H19    70     1.09656   110.58370   -45.89061
   60    57 S   HC   _H20    71     1.09704   112.36401  -164.37761
   61    54 S   CO4  _C8_    73     1.35906   118.48485    88.51322
   62    61 S   O    _O33    74     1.22115   127.04809    -0.30774
   63    55 S   CM   _C17    52     1.47418   110.64168  -146.99146
   64    63 S   HC   _H16    53     1.07494   125.84883  -164.99794
   65    61 S   CM   _C6_    75     1.48545   108.35390  -179.33090
   66    63 S   CM   _C18    54     1.33619   105.07979    14.32918
   67    66 S   HC   _H17    55     1.08121   121.81023   178.12570
   68    65 S   CM   _C5_    76     1.34473   120.72796  -137.65363
   69    68 S   HC   _H12    77     1.08958   117.68958  -177.67089
   70    65 S   CT   _C7_    82     1.50088   116.87810    44.59275
   71    70 S   HC   _H13    83     1.09491   110.69378   -70.19169
   72    70 S   HC   _H14    84     1.09514   110.40855    49.99488
   73    70 S   HC   _H15    85     1.09496   112.02247   169.77530
   74    53 S   CT   _C14    56     1.55032   113.35566    74.87582
   75    74 S   HC   _H8_    57     1.10110   110.24919    38.22013
   76    68 S   CT   _C4_    78     1.49536   128.39277     4.01386
   77    76 S   HC   _H9_    79     1.09388   109.97464  -110.63389
   78    76 S   HC   _H10    80     1.09501   109.32061   130.93142
   79    76 S   HC   _H11    81     1.09222   113.59789    11.48940
   80    74 S   CT   _C13    58     1.54229   115.23269   -80.86146
   81    80 S   HC   _H7_    59     1.09513   111.31119   -51.00555
   82    80 S   CT   _C20    64     1.54362   110.59648  -168.06728
   83    82 S   HC   _H21    65     1.09526   111.19891   -58.64187
   84    82 S   HC   _H22    66     1.09482   111.68203  -179.52687
   85    82 S   HC   _H23    67     1.09411   111.36450    62.45137
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  15   7  13   5  14   6
  17   6   5   1  17   8  12   5   8   3   2   1   9   3   6   3
  10   6   3   9   5   4   2   1   1   7   3   3   2   1   1   5
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    49  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    53    47    54  
   41    42    43    44    45    46    49    47  
   42    43    45  
   43    44    45    46    49    80    47    48    51  
   44    45    46    49    50    53    74    80    81    47    48    51    52    82    54  
   45    46    49    80    47    48    51  
   46    49    50    53    55    74    80    47    48    51    57    54    61  
   49    50    53    47    54  
   48    51    52    82    83    84    85    49    53    66    74    75    80    81  
   51    52    82    74    80    81  
   50    53    55    56    63    66    74    75    80    57    58    59    60    54    61    62    65  
   53    55    74    57    54    61  
   52    82    74    80    81  
   80  
   55    56    63    64    66    67    74    75    80    81    82    57    58    59    60    54    61  
   61    62    65    68    70    55    57    74  
   56    63    64    66    67    74    75    80    57    58    59    60  
   63    64    66    74    57  
   58    59    60    63    66    74    75    80  
   59    60    74  
   60    74  
   74  
   62    65    68    69    76    70    71    72    73  
   65    68    70  
   64    66    67    74    75    80  
   66    67    74  
   68    69    76    77    78    79    70    71    72    73  
   67    74    75    80    81    82  
   74    75    80  
   69    76    77    78    79    70    71    72    73  
   76    77    78    79    70  
   71    72    73    76  
   72    73  
   73  
    0  
   75    80    81    82    83    84    85  
   80    81    82  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85  
   82    83    84    85  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    54   320.000  1.410
   53    55   317.000  1.522
   53    74   268.000  1.529
   53    57   268.000  1.529
   55    56   570.000  1.229
   55    63   320.000  1.462
   63    64   340.000  1.080
   63    66   549.000  1.340
   66    67   340.000  1.080
   66    74   317.000  1.510
   74    75   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    47   268.000  1.529
   80    82   268.000  1.529
   47    48   340.000  1.090
   47    51   320.000  1.410
   51    52   553.000  0.945
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   54    61   214.000  1.327
   61    62   570.000  1.229
   61    65   320.000  1.462
   65    68   549.000  1.340
   65    70   317.000  1.510
   68    69   340.000  1.080
   68    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    49    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    47    80    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    51    50.00000  109.50000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    53    58.35000  112.70000
   45    49    54    50.00000  109.50000
   49    45    46    37.50000  110.70000
   49    53    55    63.00000  111.10000
   49    53    74    58.35000  112.70000
   49    53    57    58.35000  112.70000
   49    54    61    83.00000  116.90000
   53    49    50    37.50000  110.70000
   53    55    56    80.00000  120.40000
   53    55    63    65.00000  118.62400
   53    74    66    70.00000  112.02700
   53    74    75    37.50000  110.70000
   53    74    80    58.35000  112.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   55    63    64    40.00000  117.72500
   55    63    66    65.00000  118.96000
   63    55    56    80.00000  123.72100
   63    66    67    35.00000  120.00000
   63    66    74    70.00000  124.00000
   66    63    64    35.00000  120.00000
   66    74    75    35.00000  109.50000
   66    74    80    70.00000  112.02700
   74    53    55    63.00000  111.10000
   74    66    67    35.00000  117.00000
   74    80    81    37.50000  110.70000
   74    80    47    58.35000  112.70000
   74    80    82    58.35000  112.70000
   80    74    75    37.50000  110.70000
   80    47    48    37.50000  110.70000
   80    47    51    50.00000  109.50000
   80    82    83    37.50000  110.70000
   80    82    84    37.50000  110.70000
   80    82    85    37.50000  110.70000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    80    81    37.50000  110.70000
   47    51    52    55.00000  108.50000
   51    47    48    35.00000  109.50000
   82    80    81    37.50000  110.70000
   82    80    47    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   57    53    55    63.00000  111.10000
   57    53    74    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    53    50.00000  109.50000
   54    61    62    83.00000  123.40000
   54    61    65    90.00000  111.29400
   61    65    68    65.00000  118.96000
   61    65    70    65.00000  116.34900
   65    61    62    80.00000  123.72100
   65    68    69    35.00000  120.00000
   65    68    76    70.00000  124.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   68    76    77    35.00000  109.50000
   68    76    78    35.00000  109.50000
   68    76    79    35.00000  109.50000
   76    68    69    35.00000  117.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   70    65    68    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    49   0.46850  1.0 1.0
   33    39    45    49   0.08550 -1.0 2.0
   33    39    45    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    49    50   0.15000  1.0 3.0
   39    45    49    53   0.34400  1.0 1.0
   39    45    49    53   0.09450 -1.0 2.0
   39    45    49    53   0.11100  1.0 3.0
   39    45    49    54   0.61850  1.0 1.0
   39    45    49    54  -0.22750 -1.0 2.0
   39    45    49    54   0.15300  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.09850  1.0 1.0
   40    39    45    49   0.15250 -1.0 2.0
   40    39    45    49  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.62750  1.0 1.0
   42    43    45    49  -0.30950 -1.0 2.0
   42    43    45    49   0.27300  1.0 3.0
   42    43    47    80   0.62750  1.0 1.0
   42    43    47    80  -0.30950 -1.0 2.0
   42    43    47    80   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   42    43    47    51   3.69350  1.0 1.0
   42    43    47    51  -1.82950 -1.0 2.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    53   0.56750  1.0 1.0
   43    45    49    53  -0.07550 -1.0 2.0
   43    45    49    53   0.20000  1.0 3.0
   43    45    49    54   0.62750  1.0 1.0
   43    45    49    54  -0.30950 -1.0 2.0
   43    45    49    54   0.27300  1.0 3.0
   43    47    51    52  -0.11600  1.0 1.0
   43    47    51    52  -0.09450 -1.0 2.0
   43    47    51    52   0.21250  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    47    80   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.23400  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    80   0.56750  1.0 1.0
   45    43    47    80  -0.07550 -1.0 2.0
   45    43    47    80   0.20000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    51   0.86500  1.0 1.0
   45    43    47    51  -0.17500 -1.0 2.0
   45    43    47    51   0.20800  1.0 3.0
   45    49    53    55  -0.95700  1.0 1.0
   45    49    53    55  -0.18200 -1.0 2.0
   45    49    53    55   0.29450  1.0 3.0
   45    49    53    74   0.56750  1.0 1.0
   45    49    53    74  -0.07550 -1.0 2.0
   45    49    53    74   0.20000  1.0 3.0
   45    49    53    57   0.56750  1.0 1.0
   45    49    53    57  -0.07550 -1.0 2.0
   45    49    53    57   0.20000  1.0 3.0
   45    49    54    61  -0.25900  1.0 1.0
   45    49    54    61  -0.47000 -1.0 2.0
   45    49    54    61   0.11750  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    53   0.15000  1.0 3.0
   46    45    49    54   0.23400  1.0 3.0
   49    53    55    56   0.30150 -1.0 2.0
   49    53    55    63   0.65300  1.0 1.0
   49    53    55    63  -0.03850 -1.0 2.0
   49    53    55    63   0.33900  1.0 3.0
   49    53    74    66   0.34400  1.0 1.0
   49    53    74    66   0.09450 -1.0 2.0
   49    53    74    66   0.11100  1.0 3.0
   49    53    74    75   0.15000  1.0 3.0
   49    53    74    80   0.56750  1.0 1.0
   49    53    74    80  -0.07550 -1.0 2.0
   49    53    74    80   0.20000  1.0 3.0
   49    53    57    58   0.15000  1.0 3.0
   49    53    57    59   0.15000  1.0 3.0
   49    53    57    60   0.15000  1.0 3.0
   49    54    61    62   3.00000 -1.0 2.0
   49    54    61    65   2.00000 -1.0 2.0
   50    49    53    55  -0.11250  1.0 3.0
   50    49    53    74   0.15000  1.0 3.0
   50    49    53    57   0.15000  1.0 3.0
   50    49    54    61   0.08050  1.0 3.0
   53    49    54    61  -0.25900  1.0 1.0
   53    49    54    61  -0.47000 -1.0 2.0
   53    49    54    61   0.11750  1.0 3.0
   53    55    63    64   0.04550  1.0 1.0
   53    55    63    64   0.83000 -1.0 2.0
   53    55    63    64  -0.04000  1.0 3.0
   53    55   -63    66  -0.33500  1.0 1.0
   53    55   -63    66   1.06600 -1.0 2.0
   53    55   -63    66  -0.14000  1.0 3.0
   53    74    80    81   0.15000  1.0 3.0
   53    74    80    47   0.56750  1.0 1.0
   53    74    80    47  -0.07550 -1.0 2.0
   53    74    80    47   0.20000  1.0 3.0
   53    74    80    82   0.56750  1.0 1.0
   53    74    80    82  -0.07550 -1.0 2.0
   53    74    80    82   0.20000  1.0 3.0
   55    53   -74    66  -0.98800  1.0 1.0
   55    53   -74    66   0.48800 -1.0 2.0
   55    53   -74    66   0.76800  1.0 3.0
   55    53    74    75  -0.11250  1.0 3.0
   55    53    74    80  -0.95700  1.0 1.0
   55    53    74    80  -0.18200 -1.0 2.0
   55    53    74    80   0.29450  1.0 3.0
   55    53    57    58  -0.11250  1.0 3.0
   55    53    57    59  -0.11250  1.0 3.0
   55    53    57    60  -0.11250  1.0 3.0
   55    63    66    67   7.00000 -1.0 2.0
   55    63   -66    74   7.00000 -1.0 2.0
   56    55    63    64   0.00000  1.0 1.0
   56    55    63    66   1.00000 -1.0 2.0
   63    66   -74    53   0.09850  1.0 1.0
   63    66   -74    53   0.15250 -1.0 2.0
   63    66   -74    53  -0.50650  1.0 3.0
   63    66    74    75   0.00000  1.0 1.0
   63    66    74    80   0.09850  1.0 1.0
   63    66    74    80   0.15250 -1.0 2.0
   63    66    74    80  -0.50650  1.0 3.0
   64    63    66    67   7.00000 -1.0 2.0
   64    63    66    74   7.00000 -1.0 2.0
   66    74    80    81   0.15000  1.0 3.0
   66    74    80    47   0.34400  1.0 1.0
   66    74    80    47   0.09450 -1.0 2.0
   66    74    80    47   0.11100  1.0 3.0
   66    74    80    82   0.34400  1.0 1.0
   66    74    80    82   0.09450 -1.0 2.0
   66    74    80    82   0.11100  1.0 3.0
   67    66    74    53   0.00000  1.0 1.0
   67    66    74    75   0.33100  1.0 3.0
   67    66    74    80   0.00000  1.0 1.0
   74    53    55    56   0.30150 -1.0 2.0
   74    53   -55    63   0.65300  1.0 1.0
   74    53   -55    63  -0.03850 -1.0 2.0
   74    53   -55    63   0.33900  1.0 3.0
   74    53    57    58   0.15000  1.0 3.0
   74    53    57    59   0.15000  1.0 3.0
   74    53    57    60   0.15000  1.0 3.0
   74    80    47    43   0.56750  1.0 1.0
   74    80    47    43  -0.07550 -1.0 2.0
   74    80    47    43   0.20000  1.0 3.0
   74    80    47    48   0.15000  1.0 3.0
   74    80    47    51   0.86500  1.0 1.0
   74    80    47    51  -0.17500 -1.0 2.0
   74    80    47    51   0.20800  1.0 3.0
   74    80    82    83   0.15000  1.0 3.0
   74    80    82    84   0.15000  1.0 3.0
   74    80    82    85   0.15000  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    47   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   80    47    51    52  -0.11600  1.0 1.0
   80    47    51    52  -0.09450 -1.0 2.0
   80    47    51    52   0.21250  1.0 3.0
   81    80    47    43   0.15000  1.0 3.0
   81    80    47    48   0.15000  1.0 3.0
   81    80    47    51   0.23400  1.0 3.0
   81    80    82    83   0.15000  1.0 3.0
   81    80    82    84   0.15000  1.0 3.0
   81    80    82    85   0.15000  1.0 3.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.56750  1.0 1.0
   47    43    45    49  -0.07550 -1.0 2.0
   47    43    45    49   0.20000  1.0 3.0
   47    80    82    83   0.15000  1.0 3.0
   47    80    82    84   0.15000  1.0 3.0
   47    80    82    85   0.15000  1.0 3.0
   48    47    51    52   0.19450  1.0 3.0
   82    80    47    43   0.56750  1.0 1.0
   82    80    47    43  -0.07550 -1.0 2.0
   82    80    47    43   0.20000  1.0 3.0
   82    80    47    48   0.15000  1.0 3.0
   82    80    47    51   0.86500  1.0 1.0
   82    80    47    51  -0.17500 -1.0 2.0
   82    80    47    51   0.20800  1.0 3.0
   57    53    55    56   0.30150 -1.0 2.0
   57    53    55    63   0.65300  1.0 1.0
   57    53    55    63  -0.03850 -1.0 2.0
   57    53    55    63   0.33900  1.0 3.0
   57    53    74    66   0.34400  1.0 1.0
   57    53    74    66   0.09450 -1.0 2.0
   57    53    74    66   0.11100  1.0 3.0
   57    53    74    75   0.15000  1.0 3.0
   57    53    74    80   0.56750  1.0 1.0
   57    53    74    80  -0.07550 -1.0 2.0
   57    53    74    80   0.20000  1.0 3.0
   54    49    53    55  -0.09450  1.0 1.0
   54    49    53    55  -1.12950 -1.0 2.0
   54    49    53    55   0.54000  1.0 3.0
   54    49    53    74   0.62750  1.0 1.0
   54    49    53    74  -0.30950 -1.0 2.0
   54    49    53    74   0.27300  1.0 3.0
   54    49    53    57   0.62750  1.0 1.0
   54    49    53    57  -0.30950 -1.0 2.0
   54    49    53    57   0.27300  1.0 3.0
   54    61    65    68  -0.56150  1.0 1.0
   54    61    65    68   2.19150 -1.0 2.0
   54    61    65    70  -0.15000  1.0 1.0
   54    61    65    70   0.89550 -1.0 2.0
   54    61    65    70  -0.06900  1.0 3.0
   61    65    68    69   7.00000 -1.0 2.0
   61    65    68    76   7.00000 -1.0 2.0
   61    65    70    71   0.15000  1.0 3.0
   61    65    70    72   0.15000  1.0 3.0
   61    65    70    73   0.15000  1.0 3.0
   62    61    65    68   1.00000 -1.0 2.0
   62    61    65    70  -0.64400  1.0 1.0
   62    61    65    70   0.26850 -1.0 2.0
   65    68    76    77   0.00000  1.0 1.0
   65    68    76    78   0.00000  1.0 1.0
   65    68    76    79   0.00000  1.0 1.0
   68    65    70    71   0.00000  1.0 1.0
   68    65    70    72   0.00000  1.0 1.0
   68    65    70    73   0.00000  1.0 1.0
   69    68    76    77   0.33100  1.0 3.0
   69    68    76    78   0.33100  1.0 3.0
   69    68    76    79   0.33100  1.0 3.0
   70    65    68    69   7.00000 -1.0 2.0
   70    65    68    76   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
   37    30    36    38  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   53    63    55    56  10.50000 -1.0 2.0
   55    64    63    66   1.10000 -1.0 2.0
   74    67    66    63   1.10000 -1.0 2.0
   54    65    61    62  10.50000 -1.0 2.0
   61    70    65    68  15.00000 -1.0 2.0
   76    69    68    65  15.00000 -1.0 2.0
END
