* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    144    217     426
    1     0 S   NP   _N1_     1    28.65186    95.50991   -23.24127
    2     1 S   H    _HN1     2     1.02942    77.25905    -3.93761
    3     1 S   H    _H1_     3     1.02821    33.38210   149.08713
    4     1 S   H    _H2_     4     1.02788   104.30873  -109.97839
    5     1 S   CT   _CA1     5     1.50096   137.03699   102.40885
    6     5 S   HC   _HA1     6     1.09575   105.17536    84.52086
    7     5 S   CO3  _C1_     7     1.53816   112.51566   -35.68069
    8     7 S   O2Z  _O11     8     1.26380   114.98711   -41.76533
    9     7 S   O2Z  _O12     9     1.26249   114.98903   137.34308
   10     5 S   CT   _CB1    10     1.53092   107.41159  -157.48627
   11    10 S   HC   HB11    11     1.09830   109.44790   -49.53101
   12    10 S   HC   HB12    12     1.09805   110.48241    67.18136
   13    10 S   CT   _CG1    13     1.52909   112.41259  -170.44132
   14    13 S   HC   HG11    14     1.09564   110.52927   -66.54269
   15    13 S   HC   HG12    15     1.09671   109.64917    52.66036
   16    13 S   C    _CD1    16     1.51753   112.35630   173.32438
   17    16 S   O    _OE1    17     1.22741   123.25126    11.47641
   18    16 S   N    _N2_    18     1.38659   111.69184  -168.68772
   19    18 S   H    _HN2    19     1.01718   118.77734     0.41965
   20    18 S   CT1  _CA2    20     1.46168   123.52104   178.58155
   21    20 S   HC   _HA2    21     1.09735   108.82929    13.32173
   22    20 S   C    _C2_    22     1.53787   110.22972  -102.69699
   23    22 S   O    _O2_    23     1.23144   121.79491  -158.39365
   24    20 S   CT   _CB2    32     1.53691   111.66120   134.84274
   25    24 S   HC   HB21    33     1.09216   109.32339    64.04499
   26    24 S   HC   HB22    34     1.09503   109.47381  -178.21031
   27    22 S   N    _N3_    24     1.38162   114.52062    28.42259
   28    27 S   H    _HN3    25     1.01509   119.62906    -3.85960
   29    24 S   S    _SG2    35     1.83236   111.13848   -58.93560
   30    27 S   CT   _CA3    26     1.45282   123.28025   177.24459
   31    30 S   HC   HA31    27     1.09551   107.59000   -62.52373
   32    30 S   HC   HA32    28     1.09557   107.90266    53.92045
   33    29 S   CT   _C7_    36     1.89616   103.18846   164.39484
   34    30 S   CO3  _C3_    29     1.52968   114.05894   175.81572
   35    34 S   O2Z  _O31    30     1.26381   116.06937    -1.08606
   36    34 S   O2Z  _O32    31     1.26428   114.42062   178.98702
   37    33 S   CM   _C8_    37     1.51251   110.43172    37.08871
   38    37 S   HC   _H12    38     1.08939   117.06759    38.12848
   39    33 S   OS   _O34    75     1.45251   107.74704   157.52697
   40    37 S   CMA  _C9_    39     1.35300   124.98863  -142.03490
   41    40 S   OM   _O33    40     1.26312   126.49143   177.83789
   42    39 S   CT   _C10    76     1.42069   117.70425   -74.02428
   43    42 S   HC   _H13    77     1.09385   107.79558   170.82380
   44    42 S   HC   _H14    78     1.09292   112.10535    52.02876
   45    42 S   HC   _H15    79     1.09370   110.78571   -71.74450
   46    40 S   NE   _N4_    41     1.42503   120.17218    -3.43969
   47    46 S   CT   _C5_    42     1.49829   122.51392    -3.40162
   48    47 S   OM   _O41    43     1.32671   107.48855   -90.11986
   49    47 S   HC   _H3_    44     1.09700   105.80343   144.62558
   50    46 S   CT   _C4_    71     1.47691   123.34270   178.19441
   51    50 S   HC   _H9_    72     1.09548   112.07662   177.41692
   52    50 S   HC   _H10    73     1.09574   110.84368    58.33458
   53    50 S   HC   _H11    74     1.09551   110.38722   -63.12334
   54    33 S   CT   _C6_    45     1.59256   110.85647   -84.90851
   55    54 S   CZ   _C11    46     1.49229   109.52632   -67.15680
   56    55 S   NZ   _N5_    47     1.16150   178.54640   117.67574
   57    54 S   OS1  _O35    48     1.45512   106.72877    50.08973
   58    57 S   CO1  _C12    49     1.43138   119.42862  -179.46845
   59    58 S   HC   _H4_    50     1.09633   110.60440    27.75075
   60    58 S   CT   _C13    51     1.53491   106.40552   147.29082
   61    60 S   HC   _H5_    52     1.09709   109.88058    52.49300
   62    60 S   CT   _C14    53     1.52921   111.49471   174.32985
   63    62 S   HC   _H6_    54     1.09661   110.30667    73.11715
   64    60 S   OH5  _O40    69     1.42827   110.00791   -64.10962
   65    64 S   HO   _H21    70     0.97297   108.36040   -60.41711
   66    62 S   CT   _C15    55     1.53084   111.14952   -49.61969
   67    66 S   HC   _H7_    56     1.09706   109.09526   -71.51697
   68    62 S   OH5  _O39    67     1.42970   109.64873  -170.91470
   69    68 S   HO   _H20    68     0.97250   108.15509    59.52461
   70    66 S   CT   _C16    57     1.53224   110.63755    49.74987
   71    70 S   HC   _H8_    58     1.09831   110.91980    64.39893
   72    66 S   OH5  _O38    65     1.42631   109.61783   171.64948
   73    72 S   HO   _H19    66     0.97259   108.14096   -58.41482
   74    58 S   OS1  _O36    59     1.42928   110.77321   -94.34932
   75    70 S   CT   _C17    60     1.53008   111.38893  -174.78778
   76    75 S   HC   _H16    61     1.09509   110.98248    72.34299
   77    75 S   HC   _H17    62     1.09385   111.67165   -50.12733
   78    75 S   OH5  _O37    63     1.42444   109.08773  -168.87712
   79    78 S   HO   _H18    64     0.97220   107.08901  -175.16171
  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
  18   2   1   1  11   5   9  10   3   4   2   1   1  10  11   5
   4   4   2   1   1   7   3   1   8  13   6  12   7  13   7   4
   1  12   7   3   1   9   6   3   1   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    54    55    57    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    48    49    54    55    56    57    58    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    54    55    57    50    39    42  
   40    41    46    54    39  
   42    43    44    45    40    47    54    55    57  
   41    46    47    48    49    54    50    51    52    53  
   46    47    50  
   43    44    45    54  
   44    45  
   45  
    0  
   47    48    49    54    55    57    50    51    52    53  
   48    49    54    55    56    57    58    50    51    52    53  
   49    54    55    57    50  
   54    55    57    50  
   51    52    53    54  
   52    53  
   53  
    0  
   55    56    57    58    59    60    74  
   56    57    58  
   57  
   58    59    60    61    62    70    74    64  
   59    60    61    62    63    66    70    71    74    75    68    64    65  
   60    61    62    70    74    64  
   61    62    63    66    67    70    74    72    68    69    64    65  
   62    63    66    74    68    64    65  
   63    66    67    70    71    74    75    72    73    68    69    64    65  
   66    67    70    72    68    69    64  
   65    66    68    74  
    0  
   67    70    71    74    75    76    77    78    72    73    68    69  
   70    71    74    75    72    73    68  
   69    70    72  
    0  
   71    74    75    76    77    78    79    72    73  
   74    75    76    77    78    72  
   73    74    75  
    0  
   75    76    77    78  
   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  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.880300   1.9050   1.6860   0.051222218  -2.220205820
   47   4.2000   0.3000   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.055300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   56   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   415.000  1.382
   46    47   382.000  1.448
   46    50   382.000  1.448
   47    48   570.000  1.307
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   390.000  1.470
   54    57   335.000  1.422
   55    56   650.000  1.157
   57    58   370.000  1.399
   58    59   360.000  1.097
   58    60   255.000  1.525
   58    74   370.000  1.399
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   355.000  1.421
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   335.000  1.422
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   355.000  1.421
   78    79   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   64    65   580.000  0.967
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    54    47    58.35000  112.70000
   33    54    55    58.35000  112.70000
   33    54    57    95.00000  107.88500
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    75.00000  114.40000
   40    37    38    40.00000  120.50800
   40    46    47    50.00000  121.00000
   40    46    50    50.00000  121.00000
   46    40    41   105.00000  113.92000
   46    47    48    95.00000  111.00000
   46    47    49    35.00000  109.50000
   46    47    54    80.00000  111.61500
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    53    35.00000  109.50000
   47    54    55    58.35000  112.70000
   47    54    57    95.00000  107.88500
   49    47    48    45.00000  125.66300
   54    33    37    70.00000  112.02700
   54    47    48    50.00000  109.50000
   54    47    49    37.50000  110.70000
   54    55    56   150.00000  180.00000
   54    57    58    90.00000  112.10700
   57    54    55    90.00000  109.17800
   57    58    59    60.00000  105.75400
   57    58    60    90.00000  109.70700
   57    58    74   110.00000  113.16000
   58    60    61    45.00000  109.54000
   58    60    62    70.00000  111.10000
   58    60    64    90.00000  109.42000
   58    74    70    90.00000  112.10700
   60    58    59    45.00000  111.65000
   60    62    63    37.50000  110.70000
   60    62    66    58.35000  112.70000
   60    62    68    90.00000  111.45300
   60    64    65    65.00000  108.53500
   62    60    61    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    70    58.35000  112.70000
   62    66    72    90.00000  111.45300
   62    68    69    65.00000  108.53500
   66    62    63    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    95.00000  107.88500
   66    70    75    58.35000  112.70000
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    90.00000  111.45300
   74    58    59    60.00000  105.75400
   74    58    60    90.00000  109.70700
   74    70    71    55.00000  108.98800
   75    70    71    37.50000  110.70000
   75    70    74    95.00000  107.88500
   75    78    79    65.00000  108.53500
   77    75    76    33.00000  107.80000
   78    75    76    60.00000  109.39000
   78    75    77    60.00000  109.39000
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    62    63    60.00000  109.39000
   68    62    66    90.00000  111.45300
   64    60    61    60.00000  109.39000
   64    60    62    90.00000  111.45300
   50    46    47    50.00000  115.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   39    33    37    85.00000  110.90400
   39    33    54    50.00000  109.50000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    38   0.00000  1.0 1.0
   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    47   0.44750  1.0 1.0
   29    33    54    47  -0.17800 -1.0 2.0
   29    33    54    47   0.20200  1.0 3.0
   29    33    54    55   0.56750  1.0 1.0
   29    33    54    55  -0.07550 -1.0 2.0
   29    33    54    55   0.20000  1.0 3.0
   29    33    54    57   0.56750  1.0 1.0
   29    33    54    57  -0.07550 -1.0 2.0
   29    33    54    57   0.20000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    54    55    56   0.00000  1.0 1.0
   33    54    57    58   0.06250  1.0 1.0
   33    54    57    58  -0.01100 -1.0 2.0
   33    54    57    58   0.28050  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    54    47   0.34400  1.0 1.0
   37    33    54    47   0.09450 -1.0 2.0
   37    33    54    47   0.11100  1.0 3.0
   37    33    54    55   0.56750  1.0 1.0
   37    33    54    55  -0.07550 -1.0 2.0
   37    33    54    55   0.20000  1.0 3.0
   37    33    54    57   0.61850  1.0 1.0
   37    33    54    57  -0.22750 -1.0 2.0
   37    33    54    57   0.15300  1.0 3.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40   -46    47  -0.54700  1.0 1.0
   37    40   -46    47   1.23000 -1.0 2.0
   37    40    46    50  -0.54700  1.0 1.0
   37    40    46    50   1.23000 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    47    48   0.75000  1.0 1.0
   40    46    47    48  -0.75000 -1.0 2.0
   40    46    47    49   0.00000  1.0 1.0
   40    46    47    54   0.25450  1.0 1.0
   40    46    47    54  -0.61700 -1.0 2.0
   40    46    47    54  -0.23550  1.0 3.0
   40    46    50    51   0.00000  1.0 1.0
   40    46    50    52   0.00000  1.0 1.0
   40    46    50    53   0.00000  1.0 1.0
   41    40    46    47   1.00000 -1.0 2.0
   41    40    46    50   1.00000 -1.0 2.0
   46    47   -54    33   1.26750  1.0 1.0
   46    47   -54    33  -0.00950 -1.0 2.0
   46    47   -54    33   0.30600  1.0 3.0
   46    47    54    55   0.56750  1.0 1.0
   46    47    54    55  -0.07550 -1.0 2.0
   46    47    54    55   0.20000  1.0 3.0
   46    47    54    57   2.03850  1.0 1.0
   46    47    54    57  -0.40600 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.00000  1.0 1.0
   47    46    50    53   0.00000  1.0 1.0
   47    54    55    56   0.00000  1.0 1.0
   47    54    57    58   0.06250  1.0 1.0
   47    54    57    58  -0.01100 -1.0 2.0
   47    54    57    58   0.28050  1.0 3.0
   48    47    54    33   0.62750  1.0 1.0
   48    47    54    33  -0.30950 -1.0 2.0
   48    47    54    33   0.27300  1.0 3.0
   48    47    54    55   0.56750  1.0 1.0
   48    47    54    55  -0.07550 -1.0 2.0
   48    47    54    55   0.20000  1.0 3.0
   48    47    54    57   1.11900  1.0 1.0
   48    47    54    57  -1.16350 -1.0 2.0
   48    47    54    57  -0.34150  1.0 3.0
   49    47    54    33   0.15000  1.0 3.0
   49    47    54    55   0.15000  1.0 3.0
   49    47    54    57   0.23400  1.0 3.0
   54    33    37    38   0.00000  1.0 1.0
   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    39    42   0.06250  1.0 1.0
   54    33    39    42  -0.01100 -1.0 2.0
   54    33    39    42   0.28050  1.0 3.0
   54    57    58    59   0.37050  1.0 3.0
   54    57    58    60   0.06250  1.0 1.0
   54    57    58    60  -0.01100 -1.0 2.0
   54    57    58    60   0.28050  1.0 3.0
   54    57    58    74  -0.12700  1.0 1.0
   54    57    58    74  -1.16200 -1.0 2.0
   54    57    58    74   0.58800  1.0 3.0
   55    54    57    58   0.37500  1.0 3.0
   57    54    55    56   0.00000  1.0 1.0
   57    58    60    61   0.23400  1.0 3.0
   57    58    60    62   0.62750  1.0 1.0
   57    58    60    62  -0.30950 -1.0 2.0
   57    58    60    62   0.27300  1.0 3.0
   57    58    60    64   1.51850  1.0 1.0
   57    58    74    70  -0.70400  1.0 1.0
   57    58    74    70  -0.90350 -1.0 2.0
   58    60    62    63   0.15000  1.0 3.0
   58    60    62    66   0.56750  1.0 1.0
   58    60    62    66  -0.07550 -1.0 2.0
   58    60    62    66   0.20000  1.0 3.0
   58    60    62    68  -0.47750  1.0 1.0
   58    60    64    65   0.29150  1.0 1.0
   58    60    64    65  -0.28350 -1.0 2.0
   58    60    64    65   0.43600  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    64   0.23400  1.0 3.0
   59    58    74    70   0.37050  1.0 3.0
   60    58    74    70   0.06250  1.0 1.0
   60    58    74    70  -0.01100 -1.0 2.0
   60    58    74    70   0.28050  1.0 3.0
   60    62    66    67   0.15000  1.0 3.0
   60    62   -66    70   0.56750  1.0 1.0
   60    62   -66    70  -0.07550 -1.0 2.0
   60    62   -66    70   0.20000  1.0 3.0
   60    62    66    72  -0.47750  1.0 1.0
   60    62    68    69   0.29150  1.0 1.0
   60    62    68    69  -0.28350 -1.0 2.0
   60    62    68    69   0.43600  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60    62    68   0.23400  1.0 3.0
   61    60    64    65   0.19450  1.0 3.0
   62    60    64    65   0.29150  1.0 1.0
   62    60    64    65  -0.28350 -1.0 2.0
   62    60    64    65   0.43600  1.0 3.0
   62    66    70    71   0.15000  1.0 3.0
   62    66    70    74   0.62750  1.0 1.0
   62    66    70    74  -0.30950 -1.0 2.0
   62    66    70    74   0.27300  1.0 3.0
   62    66    70    75   0.56750  1.0 1.0
   62    66    70    75  -0.07550 -1.0 2.0
   62    66    70    75   0.20000  1.0 3.0
   62    66    72    73   0.29150  1.0 1.0
   62    66    72    73  -0.28350 -1.0 2.0
   62    66    72    73   0.43600  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    70   0.15000  1.0 3.0
   63    62    66    72   0.23400  1.0 3.0
   63    62    68    69   0.19450  1.0 3.0
   66    62    68    69   0.29150  1.0 1.0
   66    62    68    69  -0.28350 -1.0 2.0
   66    62    68    69   0.43600  1.0 3.0
   66    70   -74    58   0.06250  1.0 1.0
   66    70   -74    58  -0.01100 -1.0 2.0
   66    70   -74    58   0.28050  1.0 3.0
   66    70    75    76   0.15000  1.0 3.0
   66    70    75    77   0.15000  1.0 3.0
   66    70    75    78  -0.47750  1.0 1.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.23400  1.0 3.0
   67    66    70    75   0.15000  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    75    78    79   0.29150  1.0 1.0
   70    75    78    79  -0.28350 -1.0 2.0
   70    75    78    79   0.43600  1.0 3.0
   71    70    74    58   0.37050  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.23400  1.0 3.0
   74    58    60    61   0.23400  1.0 3.0
   74    58   -60    62   0.62750  1.0 1.0
   74    58   -60    62  -0.30950 -1.0 2.0
   74    58   -60    62   0.27300  1.0 3.0
   74    58    60    64   1.51850  1.0 1.0
   74    70    75    76   0.23400  1.0 3.0
   74    70    75    77   0.23400  1.0 3.0
   74    70    75    78   1.51850  1.0 1.0
   75    70    74    58   0.06250  1.0 1.0
   75    70    74    58  -0.01100 -1.0 2.0
   75    70    74    58   0.28050  1.0 3.0
   76    75    78    79   0.19450  1.0 3.0
   77    75    78    79   0.19450  1.0 3.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74   1.51850  1.0 1.0
   72    66    70    75  -0.47750  1.0 1.0
   68    62    66    67   0.23400  1.0 3.0
   68    62    66    70  -0.47750  1.0 1.0
   68    62    66    72   3.77950  1.0 1.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    66  -0.47750  1.0 1.0
   64    60    62    68   3.77950  1.0 1.0
   50    46    47    48   0.00000  1.0 1.0
   50    46    47    49   0.00000  1.0 1.0
   50    46    47    54   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    54    47   0.62750  1.0 1.0
   39    33    54    47  -0.30950 -1.0 2.0
   39    33    54    47   0.27300  1.0 3.0
   39    33    54    55   0.56750  1.0 1.0
   39    33    54    55  -0.07550 -1.0 2.0
   39    33    54    55   0.20000  1.0 3.0
   39    33    54    57   1.11900  1.0 1.0
   39    33    54    57  -1.16350 -1.0 2.0
   39    33    54    57  -0.34150  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    38    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   50    40    46    47   1.00000 -1.0 2.0
END
