* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    160    253     476
    1     0 S   NP   _N1_     1    28.90819    96.27881   -25.28167
    2     1 S   H    _HN1     2     1.02826    34.38372   178.96127
    3     1 S   H    _H1_     3     1.02794   117.83043  -100.04099
    4     1 S   H    _H2_     4     1.02947    72.74989     2.04497
    5     1 S   CT   _CA1     5     1.50122   125.72612   105.14370
    6     5 S   HC   _HA1     6     1.09574   105.16160    94.70597
    7     5 S   CO3  _C1_     7     1.53763   112.49106   -25.50164
    8     7 S   O2Z  _O11     8     1.26373   115.00506   -42.13830
    9     7 S   O2Z  _O12     9     1.26236   114.94093   136.90394
   10     5 S   CT   _CB1    10     1.53062   107.40982  -147.32237
   11    10 S   HC   HB11    11     1.09841   109.31050   -49.44767
   12    10 S   HC   HB12    12     1.09811   110.47974    67.14063
   13    10 S   CT   _CG1    13     1.53024   112.65105  -170.39037
   14    13 S   HC   HG11    14     1.09569   110.73604   -67.67405
   15    13 S   HC   HG12    15     1.09670   109.69189    51.57715
   16    13 S   C    _CD1    16     1.51811   111.98468   172.05752
   17    16 S   O    _OE1    17     1.22755   123.17653    12.67425
   18    16 S   N    _N2_    18     1.38646   111.84164  -167.33606
   19    18 S   H    _HN2    19     1.01577   118.97856     1.02641
   20    18 S   CT1  _CA2    20     1.46223   123.36587   176.27385
   21    20 S   HC   _HA2    21     1.09739   109.29072     7.33206
   22    20 S   C    _C2_    22     1.53671   108.81603  -108.15916
   23    22 S   O    _O2_    23     1.23079   122.23701  -148.68792
   24    20 S   CT   _CB2    32     1.53311   111.63868   129.35013
   25    24 S   HC   HB21    33     1.09537   110.02096    56.56853
   26    24 S   HC   HB22    34     1.09522   110.12252   175.61430
   27    22 S   N    _N3_    24     1.38310   113.85988    38.80038
   28    27 S   H    _HN3    25     1.01544   119.62461    -3.15641
   29    24 S   S    _SG2    35     1.82690   111.52361   -64.65180
   30    27 S   CT   _CA3    26     1.45286   123.30473   177.23501
   31    30 S   HC   HA31    27     1.09546   107.50260   -65.06513
   32    30 S   HC   HA32    28     1.09554   108.01306    51.40321
   33    29 S   CT   _C12    36     1.82737    99.45622  -176.76881
   34    33 S   HC   _H3_    37     1.09570   108.94378    46.05913
   35    30 S   CO3  _C3_    29     1.52983   114.02029   173.40198
   36    35 S   O2Z  _O31    30     1.26387   116.06798    -0.71134
   37    35 S   O2Z  _O32    31     1.26423   114.42292   179.35290
   38    33 S   CM   _C4_    38     1.49523   110.60669   -75.35277
   39    38 S   HC   _H28    39     1.08292   122.69743    75.38162
   40    38 S   CMA  _C5_    40     1.34568   113.88256  -105.30529
   41    40 S   OM   _O21    41     1.25823   132.82047   179.23434
   42    40 S   CT   _C19    42     1.56472   109.88158     2.26978
   43    33 S   CT   _C14    43     1.55175   117.06546   170.56497
   44    43 S   HC   _H34    44     1.10380   102.60153  -160.89031
   45    42 S   CT   _C17    60     1.57019   113.73899  -140.31479
   46    45 S   HC   _H37    61     1.09850   107.35453   -52.41917
   47    42 S   CT   _C23    82     1.54735   106.29346    96.37621
   48    47 S   HC   _H48    83     1.08896   112.70807  -152.71840
   49    47 S   HC   _H49    84     1.09585   111.00979    85.36150
   50    47 S   HC   _H50    85     1.09540   112.93543   -32.56583
   51    43 S   CT   _C15    45     1.54823   118.31734   -47.76767
   52    51 S   HC   _H35    46     1.09533   110.73948    71.41257
   53    45 S   OS   _O26    62     1.45785   108.23836    63.13090
   54    51 S   CT   _C18    47     1.55502   111.67853  -166.33279
   55    54 S   HC   _H38    48     1.09684   109.46967    52.38702
   56    53 S   CO4  _C11    63     1.35788   118.44159  -143.46429
   57    56 S   O    _O23    64     1.22113   127.04987    -3.25058
   58    51 S   CT   _C22    78     1.54893   110.04055   -45.97447
   59    58 S   HC   _H45    79     1.09568   110.89041   -63.22166
   60    58 S   HC   _H46    80     1.09504   111.47138   176.32566
   61    58 S   HC   _H47    81     1.09161   112.68541    57.71580
   62    54 S   CT   _C16    49     1.52938   117.69662   -73.43095
   63    62 S   HC   _H36    50     1.10192   106.38295  -164.00398
   64    56 S   CM   _C10    65     1.48539   108.38516   178.07075
   65    54 S   OH   _O25    76     1.44069   107.80733   167.16703
   66    65 S   HO   _H51    77     0.97235   107.84478  -168.65908
   67    62 S   CT   _C13    51     1.52051   119.98677    74.49753
   68    67 S   HC   _H33    52     1.09960   106.00381    95.21260
   69    64 S   CM   _C9_    66     1.34474   120.52503  -137.02910
   70    69 S   HC   _H31    67     1.08913   117.83116  -177.77375
   71    64 S   CT   _C21    72     1.50031   116.97581    45.10714
   72    71 S   HC   _H42    73     1.09492   110.68051   -71.21237
   73    71 S   HC   _H43    74     1.09520   110.44423    48.99551
   74    71 S   HC   _H44    75     1.09520   111.95163   168.64277
   75    67 S   CM   _C6_    53     1.49422    99.74866  -152.87863
   76    69 S   CT   _C20    68     1.49589   128.17256     4.17570
   77    76 S   HC   _H39    69     1.09401   109.98472  -108.86832
   78    76 S   HC   _H40    70     1.09507   109.33168   132.61515
   79    76 S   HC   _H41    71     1.09246   113.50857    13.29819
   80    75 S   CO4  _C7_    54     1.47591   109.73875    17.93887
   81    80 S   O    _O22    55     1.21718   127.18610   173.81147
   82    75 S   CM   _C8_    57     1.33595   128.16095  -160.28681
   83    82 S   HC   _H29    58     1.08524   120.70094    -1.04455
   84    82 S   HC   _H30    59     1.08495   121.78504   179.14134
   85    62 S   OS   _O24    56     1.43973   111.24860   -51.32098
  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
  14   7   2   1   1   9   4  13   4  18  19   6  19   7   6   2
   1   1  13   8   9  14   7  10   3   5   2   1   1  10   6  10
   3   1   8   4   9   5   4   2   1   1   6   3   2   1   1   5
   2   3   1   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    54    45    58    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    67    45    46    53    47    48    49    50  
   42    43    45    47  
   43    44    51    52    54    62    67    68    75    45    46    53    56    58    47    48    49    50  
   44    51    52    54    55    62    67    45    46    53    65    58    59    60    61    47    48    49    50  
   51    52    54    45    58    47  
   46    53    56    57    64    47    48    49    50    51    54    62    63    67    68    75    80    82    85  
   53    56    47    62    67    68    75  
   48    49    50    51    53    67  
   49    50  
   50  
    0  
   52    54    55    62    63    67    85    65    66    58    59    60    61  
   54    55    62    65    58    59    60    61  
   56    57    64    69    71    62    67    68    75  
   55    62    63    67    68    75    80    85    65    66    58    59    60    61  
   62    63    67    85    65    66    58  
   57    64    69    70    76    71    72    73    74    67  
   64    69    71  
   59    60    61    62    65  
   60    61  
   61  
    0  
   63    67    68    75    80    81    85    82    65    66  
   67    68    75    80    85    65  
   69    70    76    77    78    79    71    72    73    74  
   66    67    85  
    0  
   68    75    80    81    85    82    83    84  
   75    80    85    82  
   70    76    77    78    79    71    72    73    74  
   76    77    78    79    71  
   72    73    74    76  
   73    74  
   74  
    0  
   80    81    85    82    83    84  
   77    78    79  
   78    79  
   79  
    0  
   81    85    82    83    84  
   85    82  
   83    84    85  
   84  
    0  
    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   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    58   268.000  1.529
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    65   320.000  1.410
   62    63   340.000  1.090
   62    67   268.000  1.529
   62    85   320.000  1.410
   67    68   340.000  1.090
   67    75   317.000  1.510
   67    45   268.000  1.529
   75    80   320.000  1.462
   75    82   549.000  1.340
   80    81   570.000  1.229
   80    85   214.000  1.327
   82    83   340.000  1.080
   82    84   340.000  1.080
   45    46   340.000  1.090
   45    53   320.000  1.410
   53    56   214.000  1.327
   56    57   570.000  1.229
   56    64   320.000  1.462
   64    69   549.000  1.340
   64    71   317.000  1.510
   69    70   340.000  1.080
   69    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   65    66   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    67    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    53    50.00000  109.50000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    54    58.35000  112.70000
   43    51    58    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    62    58.35000  112.70000
   51    54    65    50.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   54    51    52    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    67    58.35000  112.70000
   54    62    85    50.00000  109.50000
   54    65    66    55.00000  108.50000
   62    54    55    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    75    70.00000  112.02700
   62    67    45    58.35000  112.70000
   62    85    80    83.00000  116.90000
   67    62    63    37.50000  110.70000
   67    75    80    65.00000  116.34900
   67    75    82    70.00000  124.00000
   67    45    46    37.50000  110.70000
   67    45    53    50.00000  109.50000
   75    67    68    35.00000  109.50000
   75    80    81    80.00000  123.72100
   75    80    85    90.00000  111.29400
   75    82    83    35.00000  120.00000
   75    82    84    35.00000  120.00000
   85    62    63    35.00000  109.50000
   85    62    67    50.00000  109.50000
   85    80    81    83.00000  123.40000
   82    75    80    65.00000  118.96000
   84    82    83    35.00000  117.00000
   45    42    43    58.35000  112.70000
   45    67    68    37.50000  110.70000
   45    67    75    70.00000  112.02700
   45    53    56    83.00000  116.90000
   53    45    46    35.00000  109.50000
   53    56    57    83.00000  123.40000
   53    56    64    90.00000  111.29400
   56    64    69    65.00000  118.96000
   56    64    71    65.00000  116.34900
   64    56    57    80.00000  123.72100
   64    69    70    35.00000  120.00000
   64    69    76    70.00000  124.00000
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    74    35.00000  109.50000
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    79    35.00000  109.50000
   76    69    70    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
   71    64    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   65    54    55    35.00000  109.50000
   65    54    62    50.00000  109.50000
   58    51    52    37.50000  110.70000
   58    51    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.44750  1.0 1.0
   29    33    43    42  -0.17800 -1.0 2.0
   29    33    43    42   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    51   0.44750  1.0 1.0
   29    33    43    51  -0.17800 -1.0 2.0
   29    33    43    51   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    51    52   0.15000  1.0 3.0
   33    43    51    54   0.56750  1.0 1.0
   33    43    51    54  -0.07550 -1.0 2.0
   33    43    51    54   0.20000  1.0 3.0
   33    43    51    58   0.56750  1.0 1.0
   33    43    51    58  -0.07550 -1.0 2.0
   33    43    51    58   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    51   0.15000  1.0 3.0
   38    33   -43    42   0.34400  1.0 1.0
   38    33   -43    42   0.09450 -1.0 2.0
   38    33   -43    42   0.11100  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    51   0.34400  1.0 1.0
   38    33    43    51   0.09450 -1.0 2.0
   38    33    43    51   0.11100  1.0 3.0
   38    40   -42    43   0.09850  1.0 1.0
   38    40   -42    43   0.15250 -1.0 2.0
   38    40   -42    43  -0.50650  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.34400  1.0 1.0
   40    42   -43    33   0.09450 -1.0 2.0
   40    42   -43    33   0.11100  1.0 3.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.34400  1.0 1.0
   40    42    43    51   0.09450 -1.0 2.0
   40    42    43    51   0.11100  1.0 3.0
   40    42    45    67   0.34400  1.0 1.0
   40    42    45    67   0.09450 -1.0 2.0
   40    42    45    67   0.11100  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    53   0.61850  1.0 1.0
   40    42    45    53  -0.22750 -1.0 2.0
   40    42    45    53   0.15300  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    52   0.15000  1.0 3.0
   42    43    51    54   0.56750  1.0 1.0
   42    43    51    54  -0.07550 -1.0 2.0
   42    43    51    54   0.20000  1.0 3.0
   42    43    51    58   0.56750  1.0 1.0
   42    43    51    58  -0.07550 -1.0 2.0
   42    43    51    58   0.20000  1.0 3.0
   42    45    53    56  -0.25900  1.0 1.0
   42    45    53    56  -0.47000 -1.0 2.0
   42    45    53    56   0.11750  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    67   0.56750  1.0 1.0
   43    42    45    67  -0.07550 -1.0 2.0
   43    42    45    67   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    53   0.62750  1.0 1.0
   43    42    45    53  -0.30950 -1.0 2.0
   43    42    45    53   0.27300  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    54    55   0.15000  1.0 3.0
   43    51    54    62   0.56750  1.0 1.0
   43    51    54    62  -0.07550 -1.0 2.0
   43    51    54    62   0.20000  1.0 3.0
   43    51    54    65   0.86500  1.0 1.0
   43    51    54    65  -0.17500 -1.0 2.0
   43    51    54    65   0.20800  1.0 3.0
   43    51    58    59   0.15000  1.0 3.0
   43    51    58    60   0.15000  1.0 3.0
   43    51    58    61   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   44    43    51    58   0.15000  1.0 3.0
   51    54    62    63   0.15000  1.0 3.0
   51    54    62    67   0.56750  1.0 1.0
   51    54    62    67  -0.07550 -1.0 2.0
   51    54    62    67   0.20000  1.0 3.0
   51    54    62    85   0.62750  1.0 1.0
   51    54    62    85  -0.30950 -1.0 2.0
   51    54    62    85   0.27300  1.0 3.0
   51    54    65    66  -0.11600  1.0 1.0
   51    54    65    66  -0.09450 -1.0 2.0
   51    54    65    66   0.21250  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    62   0.15000  1.0 3.0
   52    51    54    65   0.23400  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   54    51    58    59   0.15000  1.0 3.0
   54    51    58    60   0.15000  1.0 3.0
   54    51    58    61   0.15000  1.0 3.0
   54    62    67    68   0.15000  1.0 3.0
   54    62    67    75   0.34400  1.0 1.0
   54    62    67    75   0.09450 -1.0 2.0
   54    62    67    75   0.11100  1.0 3.0
   54    62    67    45   0.56750  1.0 1.0
   54    62    67    45  -0.07550 -1.0 2.0
   54    62    67    45   0.20000  1.0 3.0
   54    62    85    80  -0.25900  1.0 1.0
   54    62    85    80  -0.47000 -1.0 2.0
   54    62    85    80   0.11750  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    67   0.15000  1.0 3.0
   55    54    62    85   0.23400  1.0 3.0
   55    54    65    66   0.19450  1.0 3.0
   62    54    65    66  -0.11600  1.0 1.0
   62    54    65    66  -0.09450 -1.0 2.0
   62    54    65    66   0.21250  1.0 3.0
   62    67   -75    80   0.09700  1.0 1.0
   62    67   -75    80   0.15600 -1.0 2.0
   62    67   -75    80  -0.50800  1.0 3.0
   62    67    75    82   0.09850  1.0 1.0
   62    67    75    82   0.15250 -1.0 2.0
   62    67    75    82  -0.50650  1.0 3.0
   62    67    45    42   0.56750  1.0 1.0
   62    67    45    42  -0.07550 -1.0 2.0
   62    67    45    42   0.20000  1.0 3.0
   62    67    45    46   0.15000  1.0 3.0
   62    67    45    53   0.62750  1.0 1.0
   62    67    45    53  -0.30950 -1.0 2.0
   62    67    45    53   0.27300  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    75   0.15000  1.0 3.0
   63    62    67    45   0.15000  1.0 3.0
   63    62    85    80   0.08050  1.0 3.0
   67    62   -85    80  -0.25900  1.0 1.0
   67    62   -85    80  -0.47000 -1.0 2.0
   67    62   -85    80   0.11750  1.0 3.0
   67    75    80    81  -0.64400  1.0 1.0
   67    75    80    81   0.26850 -1.0 2.0
   67    75   -80    85  -0.15000  1.0 1.0
   67    75   -80    85   0.89550 -1.0 2.0
   67    75   -80    85  -0.06900  1.0 3.0
   67    75    82    83   7.00000 -1.0 2.0
   67    75    82    84   7.00000 -1.0 2.0
   67    45    53    56  -0.25900  1.0 1.0
   67    45    53    56  -0.47000 -1.0 2.0
   67    45    53    56   0.11750  1.0 3.0
   68    67    75    80   0.15000  1.0 3.0
   68    67    75    82   0.00000  1.0 1.0
   68    67    45    42   0.15000  1.0 3.0
   68    67    45    46   0.15000  1.0 3.0
   68    67    45    53   0.23400  1.0 3.0
   75    67    45    42   0.34400  1.0 1.0
   75    67    45    42   0.09450 -1.0 2.0
   75    67    45    42   0.11100  1.0 3.0
   75    67    45    46   0.15000  1.0 3.0
   75    67    45    53   0.61850  1.0 1.0
   75    67    45    53  -0.22750 -1.0 2.0
   75    67    45    53   0.15300  1.0 3.0
   75    80   -85    62   2.00000 -1.0 2.0
   80    75    82    83   7.00000 -1.0 2.0
   80    75    82    84   7.00000 -1.0 2.0
   81    80    85    62   3.00000 -1.0 2.0
   85    62    67    68   0.23400  1.0 3.0
   85    62   -67    75   0.61850  1.0 1.0
   85    62   -67    75  -0.22750 -1.0 2.0
   85    62   -67    75   0.15300  1.0 3.0
   85    62    67    45   0.62750  1.0 1.0
   85    62    67    45  -0.30950 -1.0 2.0
   85    62    67    45   0.27300  1.0 3.0
   82    75    80    81   1.00000 -1.0 2.0
   82    75    80    85  -0.56150  1.0 1.0
   82    75    80    85   2.19150 -1.0 2.0
   45    42    43    33   0.56750  1.0 1.0
   45    42    43    33  -0.07550 -1.0 2.0
   45    42    43    33   0.20000  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.56750  1.0 1.0
   45    42    43    51  -0.07550 -1.0 2.0
   45    42    43    51   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    67    75    80   0.09700  1.0 1.0
   45    67    75    80   0.15600 -1.0 2.0
   45    67    75    80  -0.50800  1.0 3.0
   45    67    75    82   0.09850  1.0 1.0
   45    67    75    82   0.15250 -1.0 2.0
   45    67    75    82  -0.50650  1.0 3.0
   45    53    56    57   3.00000 -1.0 2.0
   45    53    56    64   2.00000 -1.0 2.0
   46    45    53    56   0.08050  1.0 3.0
   53    56    64    69  -0.56150  1.0 1.0
   53    56    64    69   2.19150 -1.0 2.0
   53    56    64    71  -0.15000  1.0 1.0
   53    56    64    71   0.89550 -1.0 2.0
   53    56    64    71  -0.06900  1.0 3.0
   56    64    69    70   7.00000 -1.0 2.0
   56    64    69    76   7.00000 -1.0 2.0
   56    64    71    72   0.15000  1.0 3.0
   56    64    71    73   0.15000  1.0 3.0
   56    64    71    74   0.15000  1.0 3.0
   57    56    64    69   1.00000 -1.0 2.0
   57    56    64    71  -0.64400  1.0 1.0
   57    56    64    71   0.26850 -1.0 2.0
   64    69    76    77   0.00000  1.0 1.0
   64    69    76    78   0.00000  1.0 1.0
   64    69    76    79   0.00000  1.0 1.0
   69    64    71    72   0.00000  1.0 1.0
   69    64    71    73   0.00000  1.0 1.0
   69    64    71    74   0.00000  1.0 1.0
   70    69    76    77   0.33100  1.0 3.0
   70    69    76    78   0.33100  1.0 3.0
   70    69    76    79   0.33100  1.0 3.0
   71    64    69    70   7.00000 -1.0 2.0
   71    64    69    76   7.00000 -1.0 2.0
   65    54    62    63   0.23400  1.0 3.0
   65    54    62    67   0.86500  1.0 1.0
   65    54    62    67  -0.17500 -1.0 2.0
   65    54    62    67   0.20800  1.0 3.0
   65    54    62    85   3.69350  1.0 1.0
   65    54    62    85  -1.82950 -1.0 2.0
   58    51    54    55   0.15000  1.0 3.0
   58    51    54    62   0.56750  1.0 1.0
   58    51    54    62  -0.07550 -1.0 2.0
   58    51    54    62   0.20000  1.0 3.0
   58    51    54    65   0.86500  1.0 1.0
   58    51    54    65  -0.17500 -1.0 2.0
   58    51    54    65   0.20800  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    67   0.56750  1.0 1.0
   47    42    45    67  -0.07550 -1.0 2.0
   47    42    45    67   0.20000  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    53   0.62750  1.0 1.0
   47    42    45    53  -0.30950 -1.0 2.0
   47    42    45    53   0.27300  1.0 3.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   67    80    75    82   1.10000 -1.0 2.0
   75    85    80    81  10.50000 -1.0 2.0
   83    84    82    75   1.10000 -1.0 2.0
   53    64    56    57  10.50000 -1.0 2.0
   56    71    64    69  15.00000 -1.0 2.0
   76    70    69    64  15.00000 -1.0 2.0
END
