* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    165    258     489
    1     0 S   NP   _N1_     1    28.74896    97.65435   -22.56592
    2     1 S   H    _HN1     2     1.02787   102.46548   -95.58322
    3     1 S   H    _H1_     3     1.02949    64.44449     9.01703
    4     1 S   H    _H2_     4     1.02828    47.19054   161.46869
    5     1 S   CT   _CA1     5     1.50112   144.23625    98.87461
    6     5 S   HC   _HA1     6     1.09573   105.19403   103.37861
    7     5 S   CO3  _C1_     7     1.53791   112.48057   -16.86568
    8     7 S   O2Z  _O11     8     1.26373   115.01032   -42.24817
    9     7 S   O2Z  _O12     9     1.26241   114.94663   136.90710
   10     5 S   CT   _CB1    10     1.53081   107.42399  -138.62405
   11    10 S   HC   HB11    11     1.09833   109.38165   -49.59382
   12    10 S   HC   HB12    12     1.09813   110.44347    67.02101
   13    10 S   CT   _CG1    13     1.52993   112.60191  -170.56193
   14    13 S   HC   HG11    14     1.09580   110.64188   -65.68714
   15    13 S   HC   HG12    15     1.09671   109.77183    53.54259
   16    13 S   C    _CD1    16     1.51802   112.22068   174.01444
   17    16 S   O    _OE1    17     1.22734   123.26305     7.45125
   18    16 S   N    _N2_    18     1.38635   111.65804  -172.61456
   19    18 S   H    _HN2    19     1.01576   118.98376     1.74136
   20    18 S   CT1  _CA2    20     1.46218   123.47160   177.58938
   21    20 S   HC   _HA2    21     1.09736   109.32001     4.74665
   22    20 S   C    _C2_    22     1.53599   108.89868  -110.78730
   23    22 S   O    _O2_    23     1.23051   122.25855  -149.61942
   24    20 S   CT   _CB2    32     1.53297   111.46573   126.74825
   25    24 S   HC   HB21    33     1.09567   109.97511    55.58691
   26    24 S   HC   HB22    34     1.09417   109.87458   174.78545
   27    22 S   N    _N3_    24     1.38316   113.82251    37.90950
   28    27 S   H    _HN3    25     1.01557   119.59061    -3.25865
   29    24 S   S    _SG2    35     1.82840   111.46823   -65.41485
   30    27 S   CT   _CA3    26     1.45279   123.20646   177.10579
   31    30 S   HC   HA31    27     1.09549   107.51120   -65.07718
   32    30 S   HC   HA32    28     1.09558   108.00036    51.37096
   33    29 S   CT   _C23    36     1.83868    99.79392   171.42027
   34    33 S   HC   _H3_    37     1.09516   105.81094   -56.29745
   35    30 S   CO3  _C3_    29     1.52963   114.04631   173.40424
   36    35 S   O2Z  _O31    30     1.26384   116.07838     0.50822
   37    35 S   O2Z  _O32    31     1.26428   114.43321  -179.43179
   38    33 S   CM   _C8_    38     1.53451   111.63982    65.19922
   39    33 S   CT   _C22    83     1.53065   108.82007  -169.90188
   40    39 S   HC   _H49    84     1.09575   112.63280   -58.30737
   41    39 S   HC   _H50    85     1.09605   110.54404  -178.86099
   42    39 S   HC   _H51    86     1.09632   110.90042    62.42547
   43    38 S   CMA  _C9_    39     1.36843   122.09591  -113.23831
   44    43 S   OM   _O21    40     1.26881   125.30842    -0.46688
   45    38 S   CT   _C18    79     1.51977   115.34352    67.69996
   46    45 S   HC   _H37    80     1.09392   111.13562   -51.31746
   47    45 S   HC   _H38    81     1.09341   113.86619  -170.84479
   48    45 S   HC   _H39    82     1.09456   110.16443    68.91695
   49    43 S   OS   _O25    41     1.41762   111.50370  -179.23179
   50    49 S   CT   _C16    42     1.45968   117.72265  -144.93408
   51    50 S   HC   _H36    43     1.09601   108.81067   -38.41212
   52    50 S   CT   _C13    44     1.55273   106.52155    80.33816
   53    52 S   HC   _H33    45     1.10312   104.99108   -23.57290
   54    50 S   CT   _C17    66     1.55020   105.23605  -153.55850
   55    52 S   CT   _C12    46     1.53266   118.14872  -135.99583
   56    55 S   HC   _H32    47     1.09711   108.26712    80.22985
   57    54 S   CT   _C21    67     1.53986   113.65586   162.99611
   58    57 S   HC   _H46    68     1.08487   113.91135    63.01686
   59    57 S   HC   _H47    69     1.09699   110.65299   -57.56941
   60    57 S   HC   _H48    70     1.09704   111.66285  -175.97109
   61    55 S   CO4  _C7_    48     1.50841   101.71573  -165.97781
   62    61 S   O    _O23    49     1.22189   125.50609  -168.76390
   63    55 S   CT   _C19    75     1.51599   119.27353   -44.75332
   64    63 S   HC   _H40    76     1.09231   112.49922   -66.82694
   65    63 S   HC   _H41    77     1.09666   109.77904   175.46041
   66    63 S   HC   _H42    78     1.09252   111.85955    56.83528
   67    61 S   OS   _O24    50     1.36640   110.45329    12.11328
   68    52 S   CT   _C15    51     1.52881   122.39489    91.11967
   69    68 S   HC   _H35    52     1.09628   110.04720   -78.38997
   70    68 S   CT   _C10    53     1.52881   120.30594    50.29145
   71    70 S   HC   _H29    54     1.09963   108.27737   158.54882
   72    70 S   HC   _H30    55     1.09164   109.78639    47.68969
   73    70 S   CT   _C14    56     1.54318   116.36997   -78.50540
   74    73 S   HC   _H34    57     1.09828   107.72610   153.61688
   75    73 S   CT   _C11    58     1.53951   113.27593    32.24812
   76    75 S   HC   _H31    59     1.09965   107.21588   -71.78875
   77    73 S   CT   _C20    71     1.53968   108.95957   -91.46221
   78    77 S   HC   _H43    72     1.09523   111.30184    64.84827
   79    77 S   HC   _H44    73     1.09565   110.78385   -55.24698
   80    77 S   HC   _H45    74     1.09383   111.67217  -174.17247
   81    75 S   CM   _C5_    60     1.50802   115.59757   172.13521
   82    81 S   HC   _H28    61     1.08180   123.16514    42.03551
   83    81 S   CM   _C4_    62     1.33371   114.60117  -144.04320
   84    83 S   HC   _H27    63     1.07520   128.78562  -175.74739
   85    83 S   CO4  _C6_    64     1.47045   105.61198     4.45421
   86    85 S   O    _O22    65     1.22250   122.31623  -173.83312
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  23   8  20   9  18  11   8  10   4   3   2   9   3   5   2
   1   1   6   8   4  11   5   4  11   7  11   5   4   2   1   1
   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    54    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    55    68    75    85    54    57  
   51    52    53    55    56    61    67    68    69    70    73    75    76    81    83    85    86    54    57    58    59    60    63  
   52    53    55    68    75    85    54    57  
   53    55    56    61    62    67    68    69    70    71    72    73    75    85    54    57    63    64    65    66  
   55    56    61    67    68    69    70    54    63  
   57    58    59    60    77    55    68    70    73    74    75    76    81    82    83    84    85    86  
   56    61    62    67    68    69    70    63    64    65    66  
   61    62    67    68    63    64    65    66  
   58    59    60    73    75    76    81    83    85    86  
   59    60    75    85  
   60    75    85  
   75    85  
   62    67    68    69    70    63    64    65    66  
   67    68    63  
   64    65    66    67    68  
   65    66  
   66  
    0  
   68    69    70    71    72    73  
   69    70    71    72    73    74    75    77  
   70    71    72    73  
   71    72    73    74    75    76    81    77    78    79    80  
   72    73    74    75    77  
   73    74    75    77  
   74    75    76    81    82    83    85    77    78    79    80  
   75    76    81    77    78    79    80  
   76    81    82    83    84    85    86    77    78    79    80  
   81    82    83    85    77  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83    84    85    86  
   83    84    85  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.470000   1.6780   1.4800   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    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    68   268.000  1.529
   55    56   340.000  1.090
   55    61   317.000  1.522
   55    63   268.000  1.529
   61    62   570.000  1.229
   61    67   214.000  1.327
   67    68   320.000  1.410
   68    69   340.000  1.090
   68    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    77   268.000  1.529
   75    76   340.000  1.090
   75    81   317.000  1.510
   75    54   268.000  1.529
   81    82   340.000  1.080
   81    83   549.000  1.340
   83    84   340.000  1.080
   83    85   320.000  1.462
   85    86   570.000  1.229
   85    54   317.000  1.522
   54    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    52    68    58.35000  112.70000
   50    54    75    58.35000  112.70000
   50    54    85    63.00000  111.10000
   50    54    57    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    61    63.00000  111.10000
   52    55    63    58.35000  112.70000
   52    68    67    50.00000  109.50000
   52    68    69    37.50000  110.70000
   52    68    70    58.35000  112.70000
   55    52    53    37.50000  110.70000
   55    61    62    80.00000  120.40000
   55    61    67    81.00000  111.40000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    37.50000  110.70000
   61    55    56    35.00000  109.50000
   61    67    68    83.00000  116.90000
   67    61    62    83.00000  123.40000
   67    68    69    35.00000  109.50000
   67    68    70    50.00000  109.50000
   68    52    53    37.50000  110.70000
   68    52    55    58.35000  112.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    58.35000  112.70000
   70    68    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    58.35000  112.70000
   70    73    77    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    81    70.00000  112.02700
   73    75    54    58.35000  112.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    80    37.50000  110.70000
   75    73    74    37.50000  110.70000
   75    81    82    35.00000  117.00000
   75    81    83    70.00000  124.00000
   75    54    85    63.00000  111.10000
   75    54    57    58.35000  112.70000
   81    75    76    35.00000  109.50000
   81    83    84    35.00000  120.00000
   81    83    85    65.00000  118.96000
   83    81    82    35.00000  120.00000
   83    85    86    80.00000  123.72100
   83    85    54    65.00000  118.62400
   85    83    84    40.00000  117.72500
   85    54    57    63.00000  111.10000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    75    76    37.50000  110.70000
   54    75    81    70.00000  112.02700
   54    85    86    80.00000  120.40000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   77    73    74    37.50000  110.70000
   77    73    75    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    61    63.00000  111.10000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   45    38    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
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    54  -0.46850  1.0 1.0
   43    49    50    54   0.09300 -1.0 2.0
   43    49    50    54  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   49    50    52    68   0.62750  1.0 1.0
   49    50    52    68  -0.30950 -1.0 2.0
   49    50    52    68   0.27300  1.0 3.0
   49    50    54    75   0.62750  1.0 1.0
   49    50    54    75  -0.30950 -1.0 2.0
   49    50    54    75   0.27300  1.0 3.0
   49    50    54    85  -0.09450  1.0 1.0
   49    50    54    85  -1.12950 -1.0 2.0
   49    50    54    85   0.54000  1.0 3.0
   49    50    54    57   0.62750  1.0 1.0
   49    50    54    57  -0.30950 -1.0 2.0
   49    50    54    57   0.27300  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    61  -0.95700  1.0 1.0
   50    52    55    61  -0.18200 -1.0 2.0
   50    52    55    61   0.29450  1.0 3.0
   50    52    55    63   0.56750  1.0 1.0
   50    52    55    63  -0.07550 -1.0 2.0
   50    52    55    63   0.20000  1.0 3.0
   50    52    68    67   0.62750  1.0 1.0
   50    52    68    67  -0.30950 -1.0 2.0
   50    52    68    67   0.27300  1.0 3.0
   50    52    68    69   0.15000  1.0 3.0
   50    52    68    70   0.56750  1.0 1.0
   50    52    68    70  -0.07550 -1.0 2.0
   50    52    68    70   0.20000  1.0 3.0
   50    54    57    58   0.15000  1.0 3.0
   50    54    57    59   0.15000  1.0 3.0
   50    54    57    60   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    68   0.15000  1.0 3.0
   51    50    54    75   0.15000  1.0 3.0
   51    50    54    85  -0.11250  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    75   0.56750  1.0 1.0
   52    50    54    75  -0.07550 -1.0 2.0
   52    50    54    75   0.20000  1.0 3.0
   52    50    54    85  -0.95700  1.0 1.0
   52    50    54    85  -0.18200 -1.0 2.0
   52    50    54    85   0.29450  1.0 3.0
   52    50    54    57   0.56750  1.0 1.0
   52    50    54    57  -0.07550 -1.0 2.0
   52    50    54    57   0.20000  1.0 3.0
   52    55    61    62   0.30150 -1.0 2.0
   52    55   -61    67   0.36750  1.0 3.0
   52    55    63    64   0.15000  1.0 3.0
   52    55    63    65   0.15000  1.0 3.0
   52    55    63    66   0.15000  1.0 3.0
   52    68    70    71   0.15000  1.0 3.0
   52    68    70    72   0.15000  1.0 3.0
   52    68    70    73   0.56750  1.0 1.0
   52    68    70    73  -0.07550 -1.0 2.0
   52    68    70    73   0.20000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    61  -0.11250  1.0 3.0
   53    52    55    63   0.15000  1.0 3.0
   53    52    68    67   0.23400  1.0 3.0
   53    52    68    69   0.15000  1.0 3.0
   53    52    68    70   0.15000  1.0 3.0
   55    52   -68    67   0.62750  1.0 1.0
   55    52   -68    67  -0.30950 -1.0 2.0
   55    52   -68    67   0.27300  1.0 3.0
   55    52    68    69   0.15000  1.0 3.0
   55    52    68    70   0.56750  1.0 1.0
   55    52    68    70  -0.07550 -1.0 2.0
   55    52    68    70   0.20000  1.0 3.0
   55    61   -67    68   1.63150  1.0 1.0
   55    61   -67    68   2.92000 -1.0 2.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    67   0.00000  1.0 1.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    66   0.15000  1.0 3.0
   61    55    63    64  -0.11250  1.0 3.0
   61    55    63    65  -0.11250  1.0 3.0
   61    55    63    66  -0.11250  1.0 3.0
   61    67   -68    52  -0.25900  1.0 1.0
   61    67   -68    52  -0.47000 -1.0 2.0
   61    67   -68    52   0.11750  1.0 3.0
   61    67    68    69   0.08050  1.0 3.0
   61    67    68    70  -0.25900  1.0 1.0
   61    67    68    70  -0.47000 -1.0 2.0
   61    67    68    70   0.11750  1.0 3.0
   62    61    67    68   3.00000 -1.0 2.0
   67    68    70    71   0.23400  1.0 3.0
   67    68    70    72   0.23400  1.0 3.0
   67    68    70    73   0.62750  1.0 1.0
   67    68    70    73  -0.30950 -1.0 2.0
   67    68    70    73   0.27300  1.0 3.0
   68    52    55    56   0.15000  1.0 3.0
   68    52   -55    61  -0.95700  1.0 1.0
   68    52   -55    61  -0.18200 -1.0 2.0
   68    52   -55    61   0.29450  1.0 3.0
   68    52    55    63   0.56750  1.0 1.0
   68    52    55    63  -0.07550 -1.0 2.0
   68    52    55    63   0.20000  1.0 3.0
   68    70    73    74   0.15000  1.0 3.0
   68    70    73    75   0.56750  1.0 1.0
   68    70    73    75  -0.07550 -1.0 2.0
   68    70    73    75   0.20000  1.0 3.0
   68    70    73    77   0.56750  1.0 1.0
   68    70    73    77  -0.07550 -1.0 2.0
   68    70    73    77   0.20000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   70    73    75    76   0.15000  1.0 3.0
   70    73    75    81   0.34400  1.0 1.0
   70    73    75    81   0.09450 -1.0 2.0
   70    73    75    81   0.11100  1.0 3.0
   70    73    75    54   0.56750  1.0 1.0
   70    73    75    54  -0.07550 -1.0 2.0
   70    73    75    54   0.20000  1.0 3.0
   70    73    77    78   0.15000  1.0 3.0
   70    73    77    79   0.15000  1.0 3.0
   70    73    77    80   0.15000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    77   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    77   0.15000  1.0 3.0
   73    75    81    82   0.00000  1.0 1.0
   73    75    81    83   0.09850  1.0 1.0
   73    75    81    83   0.15250 -1.0 2.0
   73    75    81    83  -0.50650  1.0 3.0
   73    75    54    50   0.56750  1.0 1.0
   73    75    54    50  -0.07550 -1.0 2.0
   73    75    54    50   0.20000  1.0 3.0
   73    75    54    85  -0.95700  1.0 1.0
   73    75    54    85  -0.18200 -1.0 2.0
   73    75    54    85   0.29450  1.0 3.0
   73    75    54    57   0.56750  1.0 1.0
   73    75    54    57  -0.07550 -1.0 2.0
   73    75    54    57   0.20000  1.0 3.0
   74    73    75    76   0.15000  1.0 3.0
   74    73    75    81   0.15000  1.0 3.0
   74    73    75    54   0.15000  1.0 3.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    79   0.15000  1.0 3.0
   74    73    77    80   0.15000  1.0 3.0
   75    73    77    78   0.15000  1.0 3.0
   75    73    77    79   0.15000  1.0 3.0
   75    73    77    80   0.15000  1.0 3.0
   75    81    83    84   7.00000 -1.0 2.0
   75    81   -83    85   7.00000 -1.0 2.0
   75    54    57    58   0.15000  1.0 3.0
   75    54    57    59   0.15000  1.0 3.0
   75    54    57    60   0.15000  1.0 3.0
   76    75    81    82   0.33100  1.0 3.0
   76    75    81    83   0.00000  1.0 1.0
   76    75    54    50   0.15000  1.0 3.0
   76    75    54    85  -0.11250  1.0 3.0
   76    75    54    57   0.15000  1.0 3.0
   81    75    54    50   0.34400  1.0 1.0
   81    75    54    50   0.09450 -1.0 2.0
   81    75    54    50   0.11100  1.0 3.0
   81    75   -54    85  -0.98800  1.0 1.0
   81    75   -54    85   0.48800 -1.0 2.0
   81    75   -54    85   0.76800  1.0 3.0
   81    75    54    57   0.34400  1.0 1.0
   81    75    54    57   0.09450 -1.0 2.0
   81    75    54    57   0.11100  1.0 3.0
   81    83    85    86   1.00000 -1.0 2.0
   81    83   -85    54  -0.33500  1.0 1.0
   81    83   -85    54   1.06600 -1.0 2.0
   81    83   -85    54  -0.14000  1.0 3.0
   82    81    83    84   7.00000 -1.0 2.0
   82    81    83    85   7.00000 -1.0 2.0
   83    85    54    50   0.65300  1.0 1.0
   83    85    54    50  -0.03850 -1.0 2.0
   83    85    54    50   0.33900  1.0 3.0
   83    85   -54    75   0.65300  1.0 1.0
   83    85   -54    75  -0.03850 -1.0 2.0
   83    85   -54    75   0.33900  1.0 3.0
   83    85    54    57   0.65300  1.0 1.0
   83    85    54    57  -0.03850 -1.0 2.0
   83    85    54    57   0.33900  1.0 3.0
   84    83    85    86   0.00000  1.0 1.0
   84    83    85    54   0.04550  1.0 1.0
   84    83    85    54   0.83000 -1.0 2.0
   84    83    85    54  -0.04000  1.0 3.0
   85    54    57    58  -0.11250  1.0 3.0
   85    54    57    59  -0.11250  1.0 3.0
   85    54    57    60  -0.11250  1.0 3.0
   86    85    54    50   0.30150 -1.0 2.0
   86    85    54    75   0.30150 -1.0 2.0
   86    85    54    57   0.30150 -1.0 2.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    55   0.56750  1.0 1.0
   54    50    52    55  -0.07550 -1.0 2.0
   54    50    52    55   0.20000  1.0 3.0
   54    50    52    68   0.56750  1.0 1.0
   54    50    52    68  -0.07550 -1.0 2.0
   54    50    52    68   0.20000  1.0 3.0
   54    75    81    82   0.00000  1.0 1.0
   54    75   -81    83   0.09850  1.0 1.0
   54    75   -81    83   0.15250 -1.0 2.0
   54    75   -81    83  -0.50650  1.0 3.0
   77    73    75    76   0.15000  1.0 3.0
   77    73    75    81   0.34400  1.0 1.0
   77    73    75    81   0.09450 -1.0 2.0
   77    73    75    81   0.11100  1.0 3.0
   77    73    75    54   0.56750  1.0 1.0
   77    73    75    54  -0.07550 -1.0 2.0
   77    73    75    54   0.20000  1.0 3.0
   63    55    61    62   0.30150 -1.0 2.0
   63    55    61    67   0.36750  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    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    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   55    67    61    62  10.50000 -1.0 2.0
   75    82    81    83   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   83    54    85    86  10.50000 -1.0 2.0
END
