* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    147    225     419
    1     0 S   NP   _N1_     1    27.90986    92.89144   -22.11337
    2     1 S   H    _HN1     2     1.02855    23.84326   100.29438
    3     1 S   H    _H1_     3     1.02813    88.62362  -115.95331
    4     1 S   H    _H2_     4     1.02942   100.84545    -7.68904
    5     1 S   CT   _CA1     5     1.50076   133.09193   124.48550
    6     5 S   HC   _HA1     6     1.09562   105.28847    49.23692
    7     5 S   CO3  _C1_     7     1.53813   112.40923   -71.22794
    8     7 S   O2Z  _O11     8     1.26489   115.34423   -46.15524
    9     7 S   O2Z  _O12     9     1.26209   115.14640   133.61575
   10     5 S   CT   _CB1    10     1.53164   107.49991   167.34036
   11    10 S   HC   HB11    11     1.09820   109.73625   -48.27416
   12    10 S   HC   HB12    12     1.09822   110.21475    68.34709
   13    10 S   CT   _CG1    13     1.53069   112.59861  -169.25468
   14    13 S   HC   HG11    14     1.09606   110.44353   -57.37226
   15    13 S   HC   HG12    15     1.09625   110.04032    61.79826
   16    13 S   C    _CD1    16     1.51862   112.29105  -177.50864
   17    16 S   O    _OE1    17     1.22728   123.24146    -4.81882
   18    16 S   N    _N2_    18     1.38492   111.62024   174.45681
   19    18 S   H    _HN2    19     1.01548   119.12078     7.10686
   20    18 S   CT1  _CA2    20     1.46030   123.23615  -176.31624
   21    20 S   HC   _HA2    21     1.09725   108.95883    16.72230
   22    20 S   C    _C2_    22     1.52775   107.27019  -100.60005
   23    22 S   O    _O2_    23     1.22983   122.99511   -25.85113
   24    20 S   CT   _CB2    32     1.53476   111.73202   139.18681
   25    24 S   HC   HB21    33     1.09364   109.35109    59.57157
   26    24 S   HC   HB22    34     1.09462   110.31567   178.47402
   27    22 S   N    _N3_    24     1.38477   112.60480   156.82567
   28    27 S   H    _HN3    25     1.01670   120.34598    -1.93533
   29    24 S   S    _SG2    35     1.82537   110.16019   -61.03694
   30    27 S   CT   _CA3    26     1.45361   122.44430   178.67825
   31    30 S   HC   HA31    27     1.09568   107.72599   -57.38282
   32    30 S   HC   HA32    28     1.09564   107.67591    58.92771
   33    29 S   CT   _C5_    36     1.90069   101.52317   177.99318
   34    30 S   CO3  _C3_    29     1.52882   114.37510  -179.25981
   35    34 S   O2Z  _O31    30     1.26327   116.07017    -0.74441
   36    34 S   O2Z  _O32    31     1.26439   114.40596   179.24619
   37    33 S   CM   _C10    37     1.53942   104.47508   172.45124
   38    33 S   OS   _O33    75     1.43745   107.20940    54.53000
   39    37 S   N4   _N4_    38     1.36291   118.00125    85.93750
   40    37 S   CMA  _C11    72     1.52768   120.76399   -82.78037
   41    40 S   OM   _O35    73     1.26359   119.72218  -108.72661
   42    40 S   OM   _O36    74     1.26275   121.62536    72.25202
   43    38 S   CT   _C4_    76     1.41940   116.61388  -169.96326
   44    43 S   HC   _H6_    77     1.09360   108.03710  -164.18504
   45    43 S   HC   _H7_    78     1.09369   110.12119    78.44167
   46    43 S   HC   _H8_    79     1.09308   112.22658   -44.63225
   47    39 S   C4   _C9_    39     1.35216   137.29333  -156.42841
   48    47 S   O    _O34    40     1.20829   134.62798    -2.09592
   49    39 S   C4T  _C7_    43     1.45267   125.64925    34.34267
   50    49 S   HC   _H3_    44     1.09781   111.82229    75.73421
   51    47 S   C4T  _C8_    41     1.57033    89.12104   172.79982
   52    51 S   HC   _H4_    42     1.09442   114.30647   128.79098
   53    49 S   S    _S1_    45     1.81042   112.16448   -52.80407
   54    33 S   CT   _C6_    46     1.55406   108.69896   -66.12003
   55    54 S   HC   _H9_    47     1.09386   111.79916    61.49335
   56    54 S   HC   _H10    48     1.09636   110.41482   177.79433
   57    51 S   N    _N5_    49     1.48281   113.38764  -100.93814
   58    57 S   H    _H11    50     1.01774   117.98712   105.45175
   59    57 S   C    _C12    51     1.38523   123.19584   -70.87858
   60    59 S   O    _O37    52     1.22929   124.62556    -5.25442
   61    59 S   CT1  _C13    53     1.52720   112.92076   172.58566
   62    61 S   HC   _H5_    54     1.09509   110.74983    -0.30196
   63    61 S   CM   _C14    55     1.51350   109.25379   119.93926
   64    61 S   NP   _N6_    68     1.49572   108.13641  -113.53618
   65    64 S   H    _H19    69     1.02771   112.17097   -60.06716
   66    64 S   H    _H20    70     1.03334   110.77966   178.60198
   67    64 S   H    _H21    71     1.02868   111.15317    60.08443
   68    63 S   CM   _C15    56     1.34789   124.21848   100.58493
   69    68 S   HC   _H12    57     1.08573   120.74984    -1.10677
   70    68 S   CT   _C16    58     1.50267   124.11305   179.29807
   71    70 S   HC   _H13    59     1.09591   108.72969  -121.91470
   72    70 S   HC   _H14    60     1.09590   108.75731   121.35865
   73    70 S   CM   _C17    61     1.49712   114.02734    -0.30326
   74    73 S   HC   _H15    62     1.08617   117.66303  -179.87805
   75    73 S   CM   _C18    63     1.33921   122.89206     0.06561
   76    75 S   HC   _H16    64     1.08638   119.30679  -179.92338
   77    63 S   CT   _C19    65     1.51759   114.70725   -80.46419
   78    77 S   HC   _H17    66     1.09642   109.17541    59.34471
   79    77 S   HC   _H18    67     1.09647   109.04967   -57.86999
  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  10   5   4   3
  16   2   1   1  15  10  12   5   1   1   4   2   1   1   9   4
  10   5   8   4   4   2   1   1   7   3  10   4  13   7  15   5
   2   1   1  10   5   7   4   3   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    53    54    55    56    40    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    47    49    53    54    55    56    40    41    42    38    43    44    45    46  
   35    36  
   36  
    0  
   39    47    48    51    49    50    53    54    55    56    40    41    42    38    43  
   43    44    45    46    39    40    53    54    55    56  
   47    48    51    52    49    50    53    54    57    40    41    42  
   41    42    47    49    54  
   42  
    0  
   44    45    46    54  
   45    46  
   46  
    0  
   48    51    52    49    50    53    57    58    59  
   51    52    49    57  
   50    53    54    55    56    57    58    59    51    52  
   53    54    57    51    52  
   52    53    54    57    58    59    60    61  
   53    57    58    59  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61    62    63    68    77    64    65    66    67  
   61    62    63    64  
   62    63    68    69    70    75    77    78    79    64    65    66    67  
   63    68    77    64    65    66    67  
   68    69    70    71    72    73    75    76    77    78    79    64    65    66    67  
   65    66    67    68    77  
   66    67  
   67  
    0  
   69    70    71    72    73    74    75    77    78    79  
   70    71    72    73    77  
   71    72    73    74    75    76    77  
   72    73    74    75  
   73    74    75  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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  -0.316400   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   0.417900   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   3.5500   0.0760  -0.618900   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   39   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   65   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   66   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   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
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  1.510
   33    54   268.000  1.529
   33    38   320.000  1.410
   37    39   400.000  1.384
   37    40   465.000  1.376
   39    47   440.000  1.369
   39    49   305.000  1.456
   47    48   930.000  1.212
   47    51   250.000  1.540
   51    52   340.000  1.090
   51    49   268.000  1.529
   51    57   337.000  1.449
   49    50   340.000  1.090
   49    53   200.000  1.824
   53    54   222.000  1.810
   54    55   340.000  1.090
   54    56   340.000  1.090
   57    58   434.000  1.010
   57    59   490.000  1.335
   59    60   570.000  1.229
   59    61   317.000  1.522
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    64   367.000  1.471
   63    68   549.000  1.340
   63    77   317.000  1.510
   68    69   340.000  1.080
   68    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.510
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   340.000  1.080
   75    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   64    65   434.000  1.010
   64    66   434.000  1.010
   64    67   434.000  1.010
   40    41   745.000  1.250
   40    42   745.000  1.250
   38    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    75.00000  112.20000
   29    33    54    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    39    70.00000  113.82800
   33    37    40    70.00000  124.00000
   33    54    53    75.00000  111.63000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    38    43    60.00000  109.50000
   37    39    47    50.00000  132.10000
   37    39    49    50.00000  132.70000
   37    40    41    65.00000  137.10300
   37    40    42    65.00000  137.10300
   39    47    48    75.00000  131.60000
   39    47    51    95.00000   92.72400
   39    49    51   105.00000   87.49700
   39    49    50    50.00000  112.01000
   39    49    53    80.00000  108.62000
   47    51    52    40.00000  113.37500
   47    51    49   100.00000   86.36000
   47    51    57    75.00000  110.24000
   51    47    48    60.00000  136.58000
   51    49    50    37.50000  110.70000
   51    49    53    65.00000  119.05700
   51    57    58    38.00000  118.40000
   51    57    59    50.00000  121.90000
   49    39    47   100.00000   93.00000
   49    51    52    37.50000  110.70000
   49    53    54    85.00000   99.86700
   53    49    50    45.00000  109.41400
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   54    33    37    70.00000  112.02700
   56    54    55    33.00000  107.80000
   57    51    52    50.00000  112.01000
   57    51    49    80.00000  110.05700
   57    59    60    80.00000  122.90000
   57    59    61    70.00000  116.60000
   59    57    58    35.00000  119.80000
   59    61    62    35.00000  109.50000
   59    61    63    70.00000  115.00700
   59    61    64    80.00000  111.20000
   61    59    60    80.00000  120.40000
   61    63    68    70.00000  124.00000
   61    63    77    65.00000  117.92700
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   63    61    62    35.00000  109.50000
   63    68    69    35.00000  120.00000
   63    68    70    70.00000  124.00000
   63    77    75    70.00000  110.12100
   63    77    78    35.00000  109.50000
   63    77    79    35.00000  109.50000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    70.00000  110.12100
   70    68    69    35.00000  117.00000
   70    73    74    35.00000  117.00000
   70    73    75    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    75    76    35.00000  120.00000
   73    75    77    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   77    63    68    70.00000  124.00000
   77    75    76    35.00000  117.00000
   79    77    78    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    75.00000  110.06800
   66    64    65    35.00000  109.50000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   40    37    39    75.00000  120.83300
   42    40    41    65.00000  121.00000
   38    33    37    85.00000  110.90400
   38    33    54    50.00000  109.50000
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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    39   0.09700  1.0 1.0
   29    33    37    39   0.15600 -1.0 2.0
   29    33    37    39  -0.50800  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    54    53   0.56750  1.0 1.0
   29    33    54    53  -0.07550 -1.0 2.0
   29    33    54    53   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    38    43   0.14700  1.0 1.0
   29    33    38    43  -1.16150 -1.0 2.0
   29    33    38    43   0.48700  1.0 3.0
   33    37    39    47   0.00000  1.0 1.0
   33    37    39    49   0.00000  1.0 1.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    38    43    44   0.37050  1.0 3.0
   33    38    43    45   0.37050  1.0 3.0
   33    38    43    46   0.37050  1.0 3.0
   37    33    54    53   0.56750  1.0 1.0
   37    33    54    53  -0.07550 -1.0 2.0
   37    33    54    53   0.20000  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33    38    43  -0.77900  1.0 1.0
   37    33    38    43  -0.36900 -1.0 2.0
   37    33    38    43   0.40400  1.0 3.0
   37    39    47    48   3.00000 -1.0 2.0
   37    39    47    51   3.00000 -1.0 2.0
   37    39   -49    51   0.00000  1.0 1.0
   37    39    49    50   0.00000  1.0 1.0
   37    39   -49    53   0.00000  1.0 1.0
   39    37    40    41   7.00000 -1.0 2.0
   39    37    40    42   7.00000 -1.0 2.0
   39    47    51    52   0.00000  1.0 1.0
   39    47   -51    49   3.00000 -1.0 2.0
   39    47    51    57   0.00000  1.0 1.0
   39    49    53    54   0.01700  1.0 1.0
   39    49    53    54  -0.23550 -1.0 2.0
   39    49    53    54   0.21350  1.0 3.0
   47    39   -49    51   0.00000  1.0 1.0
   47    39    49    50   0.00000  1.0 1.0
   47    39    49    53   0.00000  1.0 1.0
   47    51   -49    39   3.00000 -1.0 2.0
   47    51   -49    50   0.15000  1.0 3.0
   47    51   -49    53   0.00000  1.0 1.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59  -0.42300  1.0 1.0
   47    51    57    59  -0.07000 -1.0 2.0
   47    51    57    59   0.04150  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    49  -0.11250  1.0 1.0
   48    47    51    49   0.11400 -1.0 2.0
   48    47    51    49  -0.28950  1.0 3.0
   48    47    51    57   0.30150 -1.0 2.0
   51    49    53    54   0.25150  1.0 1.0
   51    49    53    54  -1.17200 -1.0 2.0
   51    49    53    54   0.53050  1.0 3.0
   51    57    59    60   3.04450 -1.0 2.0
   51    57    59    61   1.15000  1.0 1.0
   51    57    59    61   3.04450 -1.0 2.0
   52    51   -49    39   0.15000  1.0 3.0
   52    51    49    50   0.15000  1.0 3.0
   52    51    49    53   0.00000  1.0 1.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59   0.00000  1.0 1.0
   49    39   -47    48   3.00000 -1.0 2.0
   49    39   -47    51   3.00000 -1.0 2.0
   49    51    57    58   0.00000  1.0 1.0
   49    51    57    59  -0.43950  1.0 1.0
   49    51    57    59  -0.08100 -1.0 2.0
   49    51    57    59   0.03350  1.0 3.0
   49    53   -54    33  -0.25000 -1.0 2.0
   49    53   -54    33  -0.01800  1.0 3.0
   49    53    54    55   0.32350  1.0 3.0
   49    53    54    56   0.32350  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   54    33   -37    39  -0.93550  1.0 1.0
   54    33   -37    39   0.38900 -1.0 2.0
   54    33   -37    39   0.16950  1.0 3.0
   54    33    37    40   0.09850  1.0 1.0
   54    33    37    40   0.15250 -1.0 2.0
   54    33    37    40  -0.50650  1.0 3.0
   54    33    38    43   0.06250  1.0 1.0
   54    33    38    43  -0.01100 -1.0 2.0
   54    33    38    43   0.28050  1.0 3.0
   57    51   -49    39   2.20050  1.0 1.0
   57    51   -49    39   0.63450 -1.0 2.0
   57    51   -49    39  -0.91300  1.0 3.0
   57    51    49    50   0.15000  1.0 3.0
   57    51    49    53   0.00000  1.0 1.0
   57    59    61    62   0.00000  1.0 1.0
   57    59    61    63   0.00000  1.0 1.0
   57    59    61    64   0.37150  1.0 1.0
   57    59    61    64   1.25400 -1.0 2.0
   57    59    61    64  -0.40250  1.0 3.0
   58    57    59    60   2.45000 -1.0 2.0
   58    57    59    61   2.45000 -1.0 2.0
   59    61    63    68  -0.51250  1.0 1.0
   59    61    63    68  -0.88800 -1.0 2.0
   59    61    63    68   0.08850  1.0 3.0
   59    61    63    77   0.17250  1.0 1.0
   59    61    63    77  -0.04100 -1.0 2.0
   59    61    63    77  -0.33850  1.0 3.0
   59    61    64    65   0.17350  1.0 3.0
   59    61    64    66   0.17350  1.0 3.0
   59    61    64    67   0.17350  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.30150 -1.0 2.0
   60    59    61    64   0.00000  1.0 1.0
   61    63    68    69   7.00000 -1.0 2.0
   61    63    68    70   7.00000 -1.0 2.0
   61    63    77    75   0.09700  1.0 1.0
   61    63    77    75   0.15600 -1.0 2.0
   61    63    77    75  -0.50800  1.0 3.0
   61    63    77    78   0.34800  1.0 3.0
   61    63    77    79   0.34800  1.0 3.0
   62    61    63    68   0.00000  1.0 1.0
   62    61    63    77   0.34800  1.0 3.0
   62    61    64    65   0.13050  1.0 3.0
   62    61    64    66   0.13050  1.0 3.0
   62    61    64    67   0.13050  1.0 3.0
   63    61    64    65   0.17350  1.0 3.0
   63    61    64    66   0.17350  1.0 3.0
   63    61    64    67   0.17350  1.0 3.0
   63    68    70    71   0.00000  1.0 1.0
   63    68    70    72   0.00000  1.0 1.0
   63    68    70    73  -0.28300  1.0 1.0
   63    68    70    73   0.26700 -1.0 2.0
   63    68    70    73  -0.63300  1.0 3.0
   68    63    77    75  -0.28300  1.0 1.0
   68    63    77    75   0.26700 -1.0 2.0
   68    63    77    75  -0.63300  1.0 3.0
   68    63    77    78   0.00000  1.0 1.0
   68    63    77    79   0.00000  1.0 1.0
   68    70    73    74   0.00000  1.0 1.0
   68    70   -73    75  -0.28300  1.0 1.0
   68    70   -73    75   0.26700 -1.0 2.0
   68    70   -73    75  -0.63300  1.0 3.0
   69    68    70    71   0.33100  1.0 3.0
   69    68    70    72   0.33100  1.0 3.0
   69    68    70    73   0.00000  1.0 1.0
   70    73    75    76   7.00000 -1.0 2.0
   70    73    75    77   7.00000 -1.0 2.0
   71    70    73    74   0.33100  1.0 3.0
   71    70    73    75   0.00000  1.0 1.0
   72    70    73    74   0.33100  1.0 3.0
   72    70    73    75   0.00000  1.0 1.0
   73    75   -77    63  -0.28300  1.0 1.0
   73    75   -77    63   0.26700 -1.0 2.0
   73    75   -77    63  -0.63300  1.0 3.0
   73    75    77    78   0.00000  1.0 1.0
   73    75    77    79   0.00000  1.0 1.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    77   7.00000 -1.0 2.0
   76    75    77    63   0.00000  1.0 1.0
   76    75    77    78   0.33100  1.0 3.0
   76    75    77    79   0.33100  1.0 3.0
   77    63    68    69   7.00000 -1.0 2.0
   77    63   -68    70   7.00000 -1.0 2.0
   64    61    63    68   0.80850  1.0 1.0
   64    61    63    68  -0.47300 -1.0 2.0
   64    61    63    68  -0.52300  1.0 3.0
   64    61    63    77   0.52100  1.0 1.0
   64    61    63    77  -0.20350 -1.0 2.0
   64    61    63    77   0.29750  1.0 3.0
   40    37    39    47   0.00000  1.0 1.0
   40    37    39    49   0.00000  1.0 1.0
   38    33    37    39   0.09700  1.0 1.0
   38    33    37    39   0.15600 -1.0 2.0
   38    33    37    39  -0.50800  1.0 3.0
   38    33    37    40   0.39000  1.0 1.0
   38    33    37    40  -0.05800 -1.0 2.0
   38    33    37    40  -0.55150  1.0 3.0
   38    33    54    53   0.56750  1.0 1.0
   38    33    54    53  -0.07550 -1.0 2.0
   38    33    54    53   0.20000  1.0 3.0
   38    33    54    55   0.23400  1.0 3.0
   38    33    54    56   0.23400  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    39    37    40   1.10000 -1.0 2.0
   49    47    39    37   1.00000 -1.0 2.0
   39    51    47    48  10.50000 -1.0 2.0
   58    59    57    51   1.00000 -1.0 2.0
   57    61    59    60  10.50000 -1.0 2.0
   61    77    63    68   1.10000 -1.0 2.0
   70    69    68    63   1.10000 -1.0 2.0
   70    74    73    75   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
END
