* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    145    234     428
    1     0 S   NP   _N1_     1    28.87092    95.66271   -19.06021
    2     1 S   H    _HN1     2     1.02961    94.18994    29.50545
    3     1 S   H    _H1_     3     1.02839    44.55688   139.67453
    4     1 S   H    _H2_     4     1.02780    72.10613   -78.38731
    5     1 S   CT   _CA1     5     1.50093   150.88635   177.88919
    6     5 S   HC   _HA1     6     1.09564   105.31904    31.59661
    7     5 S   CO3  _C1_     7     1.53873   112.24322   -88.83328
    8     7 S   O2Z  _O11     8     1.26367   115.02869   -46.25789
    9     7 S   O2Z  _O12     9     1.26231   114.92264   132.98440
   10     5 S   CT   _CB1    10     1.53083   107.44776   149.65086
   11    10 S   HC   HB11    11     1.09818   109.63214   -49.39738
   12    10 S   HC   HB12    12     1.09835   110.27269    67.18970
   13    10 S   CT   _CG1    13     1.53027   112.61017  -170.48322
   14    13 S   HC   HG11    14     1.09566   110.37284   -56.63380
   15    13 S   HC   HG12    15     1.09608   110.23385    62.51448
   16    13 S   C    _CD1    16     1.51787   111.92513  -177.22427
   17    16 S   O    _OE1    17     1.22735   123.12068   -15.40856
   18    16 S   N    _N2_    18     1.38553   111.76734   164.97843
   19    18 S   H    _HN2    19     1.01592   119.05934     2.19017
   20    18 S   CT1  _CA2    20     1.46214   123.39946  -176.06861
   21    20 S   HC   _HA2    21     1.09724   109.42652   -15.86193
   22    20 S   C    _C2_    22     1.53356   108.41683  -131.77345
   23    22 S   O    _O2_    23     1.23013   122.28092  -145.59035
   24    20 S   CT   _CB2    32     1.53453   111.00563   106.23310
   25    24 S   HC   HB21    33     1.09388   109.36479    55.14820
   26    24 S   HC   HB22    34     1.09531   110.63330   173.21346
   27    22 S   N    _N3_    24     1.38516   113.32171    41.84237
   28    27 S   H    _HN3    25     1.01530   118.94154    -0.51662
   29    24 S   S    _SG2    35     1.83151   111.66703   -67.92548
   30    27 S   CT   _CA3    26     1.45436   123.29870   175.01481
   31    30 S   HC   HA31    27     1.09533   109.07946    27.54029
   32    30 S   HC   HA32    28     1.09491   107.16980   144.52434
   33    29 S   CT   _C21    36     1.86924   101.39572   141.41961
   34    30 S   CO3  _C3_    29     1.52934   113.19027   -95.81650
   35    34 S   O2Z  _O31    30     1.26396   115.43399   -44.01881
   36    34 S   O2Z  _O32    31     1.26361   114.96402   136.91116
   37    33 S   C    _C22    37     1.51778   106.44912    59.13120
   38    37 S   O    _O36    38     1.22248   124.51197   -95.47875
   39    33 S   CT   _C20    75     1.52785   111.07048   -71.99034
   40    39 S   HC   _H17    76     1.09836   109.47011   171.58686
   41    39 S   HC   _H18    77     1.09530   112.19262    55.09580
   42    37 S   N    _N5_    39     1.40178   106.19935    84.93903
   43    42 S   CA   _C9_    40     1.42445   123.79731  -165.08156
   44    42 S   C    _C15    62     1.39831   111.49969    13.22126
   45    44 S   O    _O35    63     1.21962   130.61284  -166.32083
   46    43 S   CA   _C8_    41     1.40905   120.28920    26.42555
   47    46 S   HA   _H7_    42     1.08518   118.67389     1.68818
   48    33 S   CT   _C16    64     1.53301   113.45925   166.73816
   49    48 S   HC   _H3_    65     1.10424   109.27992   177.91728
   50    46 S   CA   _C7_    43     1.40706   121.97186   179.52522
   51    48 S   CT   _C17    66     1.51491   113.40761    59.31397
   52    51 S   HC   _H11    67     1.09501   111.92864   -62.63728
   53    51 S   HC   _H12    68     1.09631   110.28357   179.56524
   54    50 S   CA   _C12    44     1.39752   118.29649     0.55673
   55    51 S   CT   _C18    69     1.53646   108.42962    59.50095
   56    55 S   HC   _H13    70     1.09597   109.66120  -172.60931
   57    55 S   HC   _H14    71     1.09769   108.53288    71.44833
   58    54 S   CA   _C11    45     1.39310   120.80220    -1.23305
   59    58 S   HA   _H8_    46     1.08649   120.51894  -179.78878
   60    54 S   OS   _O33    49     1.36729   122.91392  -178.18620
   61    55 S   CT   _C19    72     1.53780   113.99240   -49.28264
   62    61 S   HC   _H15    73     1.09638   109.21786   168.82435
   63    61 S   HC   _H16    74     1.09558   108.56137   -75.95887
   64    43 S   CA   _C10    47     1.39912   122.09241  -154.08348
   65    64 S   F    F1__    48     1.34052   121.21309     4.42642
   66    60 S   CT   _C13    50     1.41117   112.52837   -27.58786
   67    66 S   HC   _H9_    51     1.09726   109.41251   -77.37122
   68    66 S   HC   _H10    52     1.09560   107.10337   166.56540
   69    66 S   C    _C14    53     1.51570   116.42822    45.95859
   70    69 S   O    _O34    54     1.23096   120.57544   147.17386
   71    50 S   N    _N4_    55     1.42826   122.77542  -177.18875
   72    71 S   CT   _C6_    56     1.46480   121.16216     7.96040
   73    72 S   HC   _H5_    57     1.09530   109.88680    40.56874
   74    72 S   HC   _H6_    58     1.09648   108.94315   155.86754
   75    72 S   CZ   _C5_    59     1.46943   111.58851   -84.25155
   76    75 S   CZ   _C4_    60     1.20060   179.73681   113.62223
   77    76 S   HC   _H4_    61     1.06500   179.90109   -20.13655
  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  12   5   4   3
  18   2   1   1  14   5  13   6   5  12  12   9   3  10   4   8
   4  13   8   5   4  11   5   4   3   6   3   7   2   1   1   1
   1   6   4   3   6   2   5   5   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    44    48    49    51    61    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    48    49    51    52    53    55    61    62    63    39    40    41  
   35    36  
   36  
    0  
   38    42    43    46    64    44    45    48    49    51    61    39    40    41  
   42    43    44    48    39  
   40    41    42    44    48    49    51    55    56    57    61    62    63  
   41    48    55    61    62    63  
   48    55    61    62    63  
   43    46    47    50    58    64    65    44    45    48    49    51  
   46    47    50    54    58    59    64    65    71    44    45    48  
   45    48    49    51    52    53    55    46    64  
   48    49    51  
   47    50    54    58    64    65    60    69    71    72  
   50    54    64    71  
   49    51    52    53    55    56    57    61  
   51    52    53    55  
   54    58    59    64    60    66    69    70    71    72    73    74    75  
   52    53    55    56    57    61    62    63  
   53    55    56    57    61  
   55    56    57    61  
   58    59    64    65    60    66    67    68    69    71    72  
   56    57    61    62    63  
   57    61    62    63  
   61    62    63  
   59    64    65    60    66    71  
   64    65    60  
   66    67    68    69    70    71    64  
   62    63  
   63  
    0  
   65  
    0  
   67    68    69    70    71    72  
   68    69    70    71  
   69    70    71  
   70    71    72    73    74    75  
   71    72  
   72    73    74    75    76  
   73    74    75    76    77  
   74    75    76  
   75    76  
   76    77  
   77  
    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  -0.175000   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   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   39   3.5000   0.0660  -0.120000   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   3.2500   0.1700  -0.206700   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   66   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   71   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   72   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.6500   0.1500   0.010000   2.0580   1.8250   0.025318638  -1.264311570
   76   3.6500   0.1500  -0.210000   2.0580   1.8250   0.025318638  -1.264311570
   77   2.4200   0.0300   0.200000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   490.000  1.335
   42    43   360.000  1.404
   42    44   490.000  1.335
   43    46   469.000  1.400
   43    64   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    54   469.000  1.400
   50    71   360.000  1.404
   54    58   469.000  1.400
   54    60   450.000  1.364
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    65   420.000  1.354
   60    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   317.000  1.522
   69    70   570.000  1.229
   69    71   490.000  1.335
   71    72   337.000  1.449
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   390.000  1.470
   75    76   985.000  1.221
   76    77   410.000  1.067
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    39   268.000  1.529
   39    40   340.000  1.090
   39    41   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    70.00000  112.33000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    70.00000  116.60000
   33    48    44    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    51    58.35000  112.70000
   33    39    61    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  121.96500
   37    42    44    70.00000  121.37400
   42    37    38    80.00000  122.90000
   42    43    46    70.00000  119.01900
   42    43    64    70.00000  119.01900
   42    44    45    80.00000  122.90000
   42    44    48    70.00000  116.60000
   43    46    47    35.00000  120.00000
   43    46    50    63.00000  120.00000
   43    64    58    63.00000  120.00000
   43    64    65    80.00000  120.00000
   46    50    54    63.00000  120.00000
   46    50    71    70.00000  119.01900
   50    46    47    35.00000  120.00000
   50    54    58    63.00000  120.00000
   50    54    60    70.00000  120.00000
   50    71    69    65.00000  121.96500
   50    71    72    70.00000  121.06000
   54    58    59    35.00000  120.00000
   54    58    64    63.00000  120.00000
   54    60    66    75.00000  111.00000
   58    64    65    80.00000  120.00000
   64    43    46    63.00000  120.00000
   64    58    59    35.00000  120.00000
   60    54    58    70.00000  120.00000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    69    90.00000  108.55600
   66    69    70    80.00000  120.40000
   66    69    71    70.00000  116.60000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    71    72    50.00000  121.90000
   71    50    54    70.00000  119.01900
   71    69    70    80.00000  122.90000
   71    72    73    35.00000  109.50000
   71    72    74    35.00000  109.50000
   71    72    75    80.00000  111.92500
   72    75    76    30.00000  179.48800
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  108.50000
   75    72    74    35.00000  108.50000
   75    76    77    20.00000  179.85100
   44    42    43    65.00000  121.96500
   44    48    49    35.00000  109.50000
   44    48    51    63.00000  111.10000
   48    33    37    63.00000  111.10000
   48    44    45    80.00000  120.40000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    55    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    39    58.35000  112.70000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    39    40    37.50000  110.70000
   61    39    41    37.50000  110.70000
   63    61    62    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    48    58.35000  112.70000
   39    61    62    37.50000  110.70000
   39    61    63    37.50000  110.70000
   41    39    40    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.00000  1.0 1.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   29    33    39    61   0.44750  1.0 1.0
   29    33    39    61  -0.17800 -1.0 2.0
   29    33    39    61   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   0.76000  1.0 1.0
   33    37    42    43   4.11600 -1.0 2.0
   33    37   -42    44   2.45000 -1.0 2.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    55   0.56750  1.0 1.0
   33    48    51    55  -0.07550 -1.0 2.0
   33    48    51    55   0.20000  1.0 3.0
   37    33   -48    44   0.11950  1.0 1.0
   37    33   -48    44   0.20300 -1.0 2.0
   37    33   -48    44  -0.70800  1.0 3.0
   37    33    48    49  -0.11250  1.0 3.0
   37    33    48    51  -0.95700  1.0 1.0
   37    33    48    51  -0.18200 -1.0 2.0
   37    33    48    51   0.29450  1.0 3.0
   37    33    39    61  -0.95700  1.0 1.0
   37    33    39    61  -0.18200 -1.0 2.0
   37    33    39    61   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    42    43    46   1.00100  1.0 1.0
   37    42    43    46   0.85050 -1.0 2.0
   37    42    43    64   1.00100  1.0 1.0
   37    42    43    64   0.85050 -1.0 2.0
   37    42    44    45   2.22250 -1.0 2.0
   37    42   -44    48   2.45000 -1.0 2.0
   38    37    42    43   0.04000 -1.0 2.0
   38    37    42    44   2.22250 -1.0 2.0
   42    43    46    47   3.62500 -1.0 2.0
   42    43    46    50   3.62500 -1.0 2.0
   42    43    64    58   3.62500 -1.0 2.0
   42    43    64    65   3.62500 -1.0 2.0
   42    44   -48    33   1.39750  1.0 1.0
   42    44   -48    33  -0.07950 -1.0 2.0
   42    44   -48    33  -0.18750  1.0 3.0
   42    44    48    49   0.00000  1.0 1.0
   42    44    48    51   1.39750  1.0 1.0
   42    44    48    51  -0.07950 -1.0 2.0
   42    44    48    51  -0.18750  1.0 3.0
   43    42    44    45   0.04000 -1.0 2.0
   43    42    44    48   0.76000  1.0 1.0
   43    42    44    48   4.11600 -1.0 2.0
   43    46    50    54   3.62500 -1.0 2.0
   43    46    50    71   3.62500 -1.0 2.0
   46    43    64    58   3.62500 -1.0 2.0
   46    43    64    65   3.62500 -1.0 2.0
   46    50   -54    58   3.62500 -1.0 2.0
   46    50    54    60   3.62500 -1.0 2.0
   46    50    71    69   1.00100  1.0 1.0
   46    50    71    69   0.85050 -1.0 2.0
   46    50    71    72   0.81400  1.0 1.0
   46    50    71    72   1.55550 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   47    46    50    71   3.62500 -1.0 2.0
   50    54    58    59   3.62500 -1.0 2.0
   50    54    58    64   3.62500 -1.0 2.0
   50    54    60    66   1.63200 -1.0 2.0
   50    71    72    73   0.00000  1.0 1.0
   50    71    72    74   0.00000  1.0 1.0
   50    71    72    75   0.17850 -1.0 2.0
   54    50    71    69   1.00100  1.0 1.0
   54    50    71    69   0.85050 -1.0 2.0
   54    50    71    72   0.81400  1.0 1.0
   54    50    71    72   1.55550 -1.0 2.0
   54    58   -64    43   3.62500 -1.0 2.0
   54    58    64    65   3.62500 -1.0 2.0
   54    60    66    67   0.08050  1.0 3.0
   54    60    66    68   0.08050  1.0 3.0
   54    60   -66    69  -0.25600  1.0 1.0
   54    60   -66    69  -0.40050 -1.0 2.0
   54    60   -66    69   0.34700  1.0 3.0
   58    54    60    66   1.63200 -1.0 2.0
   59    58    64    43   3.62500 -1.0 2.0
   59    58    64    65   3.62500 -1.0 2.0
   64    43    46    47   3.62500 -1.0 2.0
   64    43   -46    50   3.62500 -1.0 2.0
   60    54    58    59   3.62500 -1.0 2.0
   60    54    58    64   3.62500 -1.0 2.0
   60    66    69    70   0.30150 -1.0 2.0
   60    66    69    71   0.00000  1.0 1.0
   66    69   -71    50   0.76000  1.0 1.0
   66    69   -71    50   4.11600 -1.0 2.0
   66    69    71    72   1.49850  1.0 1.0
   66    69    71    72   1.53950 -1.0 2.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    71   0.00000  1.0 1.0
   69    71    72    73   0.00000  1.0 1.0
   69    71    72    74   0.00000  1.0 1.0
   69    71    72    75  -0.42300  1.0 1.0
   69    71    72    75  -0.07000 -1.0 2.0
   69    71    72    75   0.04150  1.0 3.0
   70    69    71    50   0.04000 -1.0 2.0
   70    69    71    72   3.04450 -1.0 2.0
   71    50    54    58   3.62500 -1.0 2.0
   71    50   -54    60   3.62500 -1.0 2.0
   71    72    75    76   0.00000  1.0 1.0
   72    75    76    77   0.00000  1.0 1.0
   73    72    75    76   0.00000  1.0 1.0
   74    72    75    76   0.00000  1.0 1.0
   44    42    43    46   1.00100  1.0 1.0
   44    42    43    46   0.85050 -1.0 2.0
   44    42    43    64   1.00100  1.0 1.0
   44    42    43    64   0.85050 -1.0 2.0
   44    48    51    52  -0.11250  1.0 3.0
   44    48    51    53  -0.11250  1.0 3.0
   44    48    51    55  -0.95700  1.0 1.0
   44    48    51    55  -0.18200 -1.0 2.0
   44    48    51    55   0.29450  1.0 3.0
   45    44    48    33   0.30150 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    51   0.30150 -1.0 2.0
   48    33    37    38   0.30150 -1.0 2.0
   48    33   -37    42   1.39750  1.0 1.0
   48    33   -37    42  -0.07950 -1.0 2.0
   48    33   -37    42  -0.18750  1.0 3.0
   48    33    39    61   0.56750  1.0 1.0
   48    33    39    61  -0.07550 -1.0 2.0
   48    33    39    61   0.20000  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    57   0.15000  1.0 3.0
   48    51   -55    61   0.56750  1.0 1.0
   48    51   -55    61  -0.07550 -1.0 2.0
   48    51   -55    61   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.15000  1.0 3.0
   51    55    61    62   0.15000  1.0 3.0
   51    55    61    63   0.15000  1.0 3.0
   51    55    61    39   0.56750  1.0 1.0
   51    55    61    39  -0.07550 -1.0 2.0
   51    55    61    39   0.20000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    61   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    61   0.15000  1.0 3.0
   55    61   -39    33   0.56750  1.0 1.0
   55    61   -39    33  -0.07550 -1.0 2.0
   55    61   -39    33   0.20000  1.0 3.0
   55    61    39    40   0.15000  1.0 3.0
   55    61    39    41   0.15000  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    39   0.15000  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    39   0.15000  1.0 3.0
   62    61    39    33   0.15000  1.0 3.0
   62    61    39    40   0.15000  1.0 3.0
   62    61    39    41   0.15000  1.0 3.0
   63    61    39    33   0.15000  1.0 3.0
   63    61    39    40   0.15000  1.0 3.0
   63    61    39    41   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   1.39750  1.0 1.0
   39    33    37    42  -0.07950 -1.0 2.0
   39    33    37    42  -0.18750  1.0 3.0
   39    33    48    44  -0.95700  1.0 1.0
   39    33    48    44  -0.18200 -1.0 2.0
   39    33    48    44   0.29450  1.0 3.0
   39    33    48    49   0.15000  1.0 3.0
   39    33   -48    51   0.56750  1.0 1.0
   39    33   -48    51  -0.07550 -1.0 2.0
   39    33   -48    51   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   44    37    42    43   1.00000 -1.0 2.0
   46    64    43    42   4.00000 -1.0 2.0
   50    47    46    43   1.10000 -1.0 2.0
   54    71    50    46   4.00000 -1.0 2.0
   58    60    54    50   4.00000 -1.0 2.0
   64    59    58    54   1.10000 -1.0 2.0
   58    65    64    43   4.00000 -1.0 2.0
   66    71    69    70  10.50000 -1.0 2.0
   72    69    71    50   1.00000 -1.0 2.0
   42    48    44    45  10.50000 -1.0 2.0
END
